USER MOD reduce.3.24.130724 H: found=0, std=0, add=1467, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1476 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 166 MET CE :methyl 156:sc= -0.11 (180deg=-0.345) USER MOD Set 1.2: A 181 THR OG1 : rot 77:sc= 1.25 USER MOD Set 2.1: A 10 THR OG1 : rot 127:sc= 0.994 USER MOD Set 2.2: A 160 GLN : amide:sc= 0.732 K(o=1.7,f=-1.9!) USER MOD Set 3.1: A 159 TYR OH : rot 30:sc= 0.183 USER MOD Set 3.2: A 189 LYS NZ :NH3+ -104:sc= -1.05! (180deg=-4.37!) USER MOD Set 4.1: A 27 SER OG : rot 26:sc= 1.24 USER MOD Set 4.2: A 60 HIS : no HE2:sc= 0.234! C(o=0.82!,f=-15!) USER MOD Set 4.3: A 62 ASN : amide:sc= -2.86! C(o=0.82!,f=-7.8!) USER MOD Set 4.4: A 73 THR OG1 : rot 152:sc= 2.21 USER MOD Set 5.1: A 43 SER OG : rot -78:sc= 2.34 USER MOD Set 5.2: A 58 LYS NZ :NH3+ 175:sc= 3.27 (180deg=2.13) USER MOD Set 6.1: A 32 HIS : no HD1:sc= 0.93 K(o=0.39,f=-7!) USER MOD Set 6.2: A 35 GLN : amide:sc= -0.541 K(o=0.39,f=-0.2) USER MOD Set 7.1: A 30 CYS SG : rot -129:sc= -0.107 USER MOD Set 7.2: A 33 CYS SG : rot -80:sc= -0.526 USER MOD Set 8.1: A 1 ALA N :NH3+ -139:sc= 0.3 (180deg=0.0101) USER MOD Set 8.2: A 3 TYR OH : rot 166:sc= 0.206 USER MOD Single : A 2 GLN : amide:sc= -0.0913 K(o=-0.091,f=-0.68) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.367 K(o=-0.37,f=-11!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 73:sc= 1.16 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -0.382 K(o=0.97,f=-7.4!) USER MOD Single : A 45 ASN : amide:sc= 1.14 K(o=1.1,f=-0.22) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 1.15 (180deg=1.04) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.16) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc=-0.00485 (180deg=-0.149) USER MOD Single : A 56 MET CE :methyl -122:sc= -0.433 (180deg=-1.5) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.0902 K(o=0.09,f=-1.7!) USER MOD Single : A 80 MET CE :methyl -172:sc= -0.656 (180deg=-1.07) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 150:sc= -0.443 USER MOD Single : A 97 GLN : amide:sc= 0.0572 K(o=0.057,f=-3.3!) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.13) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 104 SER OG : rot 180:sc= -0.036 USER MOD Single : A 106 SER OG : rot 180:sc= 0.119 USER MOD Single : A 114 ASN : amide:sc= -0.0229 K(o=-0.023,f=-0.96) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot -114:sc= 0.141 USER MOD Single : A 127 ASN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 128 SER OG : rot -91:sc= 1.29 USER MOD Single : A 132 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0487) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 138 GLN : amide:sc= -1.15! C(o=-1.1!,f=-5.7!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 GLN : amide:sc= 1.01 K(o=1,f=-4.9!) USER MOD Single : A 153 MET CE :methyl -159:sc= -0.723 (180deg=-1.59) USER MOD Single : A 156 ASN : amide:sc= -1.61 K(o=-1.6,f=-3.1!) USER MOD Single : A 158 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.06) USER MOD Single : A 162 ASN : amide:sc= 0.0223 K(o=0.022,f=-4.8!) USER MOD Single : A 164 GLN : amide:sc= 1.06 K(o=1.1,f=-0.32) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 107:sc= 1.32 USER MOD Single : A 170 ASN : amide:sc= 0.495 K(o=0.5,f=-8.8!) USER MOD Single : A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.7) USER MOD Single : A 177 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.48) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0563) USER MOD Single : A 184 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 186 SER OG : rot -80:sc= 0.116 USER MOD Single : A 188 LYS NZ :NH3+ -167:sc= -0.0136 (180deg=-0.237) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.310 -3.734 7.192 1.00 4.06 N ATOM 2 CA ALA A 1 22.152 -4.397 6.168 1.00 3.55 C ATOM 3 C ALA A 1 22.780 -3.358 5.241 1.00 2.45 C ATOM 4 O ALA A 1 22.598 -2.158 5.441 1.00 2.64 O ATOM 5 CB ALA A 1 21.328 -5.403 5.376 1.00 4.08 C ATOM 0 H1 ALA A 1 21.453 -4.197 8.112 1.00 4.06 H new ATOM 0 H2 ALA A 1 21.576 -2.731 7.264 1.00 4.06 H new ATOM 0 H3 ALA A 1 20.309 -3.808 6.919 1.00 4.06 H new ATOM 0 HA ALA A 1 22.956 -4.935 6.670 1.00 3.55 H new ATOM 0 HB1 ALA A 1 21.960 -5.882 4.628 1.00 4.08 H new ATOM 0 HB2 ALA A 1 20.929 -6.159 6.052 1.00 4.08 H new ATOM 0 HB3 ALA A 1 20.504 -4.889 4.880 1.00 4.08 H new ATOM 13 N GLN A 2 23.521 -3.818 4.239 1.00 1.87 N ATOM 14 CA GLN A 2 24.177 -2.924 3.293 1.00 1.08 C ATOM 15 C GLN A 2 23.238 -2.590 2.137 1.00 0.98 C ATOM 16 O GLN A 2 22.685 -3.487 1.507 1.00 1.20 O ATOM 17 CB GLN A 2 25.461 -3.573 2.767 1.00 1.59 C ATOM 18 CG GLN A 2 26.162 -2.777 1.672 1.00 2.07 C ATOM 19 CD GLN A 2 26.705 -1.446 2.163 1.00 2.84 C ATOM 20 OE1 GLN A 2 27.035 -1.284 3.336 1.00 3.18 O ATOM 21 NE2 GLN A 2 26.806 -0.484 1.257 1.00 3.58 N ATOM 0 H GLN A 2 23.683 -4.809 4.061 1.00 1.87 H new ATOM 0 HA GLN A 2 24.434 -1.997 3.805 1.00 1.08 H new ATOM 0 HB2 GLN A 2 26.152 -3.711 3.599 1.00 1.59 H new ATOM 0 HB3 GLN A 2 25.222 -4.565 2.383 1.00 1.59 H new ATOM 0 HG2 GLN A 2 26.981 -3.370 1.267 1.00 2.07 H new ATOM 0 HG3 GLN A 2 25.463 -2.599 0.855 1.00 2.07 H new ATOM 0 HE21 GLN A 2 26.521 -0.659 0.293 1.00 3.58 H new ATOM 0 HE22 GLN A 2 27.169 0.431 1.523 1.00 3.58 H new ATOM 30 N TYR A 3 23.055 -1.301 1.864 1.00 0.86 N ATOM 31 CA TYR A 3 22.176 -0.865 0.783 1.00 0.85 C ATOM 32 C TYR A 3 22.847 0.228 -0.043 1.00 0.84 C ATOM 33 O TYR A 3 23.437 1.157 0.510 1.00 0.97 O ATOM 34 CB TYR A 3 20.843 -0.349 1.348 1.00 0.91 C ATOM 35 CG TYR A 3 20.172 -1.301 2.318 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.630 -2.501 1.881 1.00 1.08 C ATOM 37 CD2 TYR A 3 20.095 -1.000 3.675 1.00 0.96 C ATOM 38 CE1 TYR A 3 19.031 -3.378 2.765 1.00 1.18 C ATOM 39 CE2 TYR A 3 19.494 -1.870 4.566 1.00 1.07 C ATOM 40 CZ TYR A 3 18.965 -3.057 4.104 1.00 1.15 C ATOM 41 OH TYR A 3 18.381 -3.935 4.985 1.00 1.32 O ATOM 0 H TYR A 3 23.503 -0.541 2.376 1.00 0.86 H new ATOM 0 HA TYR A 3 21.977 -1.722 0.139 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.018 0.602 1.851 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.162 -0.151 0.520 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.677 -2.754 0.832 1.00 1.08 H new ATOM 0 HD2 TYR A 3 20.511 -0.072 4.038 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.617 -4.310 2.409 1.00 1.18 H new ATOM 0 HE2 TYR A 3 19.439 -1.622 5.616 1.00 1.07 H new ATOM 0 HH TYR A 3 18.608 -3.677 5.903 1.00 1.32 H new ATOM 51 N GLU A 4 22.760 0.111 -1.364 1.00 0.79 N ATOM 52 CA GLU A 4 23.355 1.092 -2.264 1.00 0.81 C ATOM 53 C GLU A 4 22.331 1.582 -3.282 1.00 0.74 C ATOM 54 O GLU A 4 21.402 0.852 -3.646 1.00 0.72 O ATOM 55 CB GLU A 4 24.563 0.493 -2.978 1.00 0.88 C ATOM 56 CG GLU A 4 25.857 0.638 -2.195 1.00 1.10 C ATOM 57 CD GLU A 4 26.887 -0.394 -2.586 1.00 1.60 C ATOM 58 OE1 GLU A 4 27.669 -0.141 -3.530 1.00 2.08 O1- ATOM 59 OE2 GLU A 4 26.918 -1.471 -1.955 1.00 2.29 O ATOM 0 H GLU A 4 22.281 -0.656 -1.836 1.00 0.79 H new ATOM 0 HA GLU A 4 23.685 1.944 -1.670 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.377 -0.564 -3.167 1.00 0.88 H new ATOM 0 HB3 GLU A 4 24.678 0.975 -3.949 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.266 1.635 -2.357 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.645 0.550 -1.129 1.00 1.10 H new ATOM 66 N ASP A 5 22.510 2.818 -3.732 1.00 0.74 N ATOM 67 CA ASP A 5 21.613 3.433 -4.704 1.00 0.71 C ATOM 68 C ASP A 5 21.693 2.719 -6.051 1.00 0.71 C ATOM 69 O ASP A 5 22.767 2.590 -6.640 1.00 0.77 O ATOM 70 CB ASP A 5 21.950 4.917 -4.882 1.00 0.74 C ATOM 71 CG ASP A 5 20.998 5.615 -5.834 1.00 1.14 C ATOM 72 OD1 ASP A 5 19.800 5.727 -5.501 1.00 1.83 O ATOM 73 OD2 ASP A 5 21.444 6.059 -6.914 1.00 1.76 O1- ATOM 0 H ASP A 5 23.278 3.421 -3.435 1.00 0.74 H new ATOM 0 HA ASP A 5 20.596 3.342 -4.323 1.00 0.71 H new ATOM 0 HB2 ASP A 5 21.918 5.413 -3.912 1.00 0.74 H new ATOM 0 HB3 ASP A 5 22.969 5.013 -5.256 1.00 0.74 H new ATOM 78 N GLY A 6 20.551 2.247 -6.524 1.00 0.68 N ATOM 79 CA GLY A 6 20.498 1.547 -7.791 1.00 0.70 C ATOM 80 C GLY A 6 20.364 0.049 -7.618 1.00 0.71 C ATOM 81 O GLY A 6 20.040 -0.666 -8.566 1.00 0.78 O ATOM 0 H GLY A 6 19.653 2.337 -6.049 1.00 0.68 H new ATOM 0 HA2 GLY A 6 19.655 1.919 -8.374 1.00 0.70 H new ATOM 0 HA3 GLY A 6 21.401 1.765 -8.361 1.00 0.70 H new ATOM 85 N LYS A 7 20.602 -0.430 -6.405 1.00 0.69 N ATOM 86 CA LYS A 7 20.509 -1.851 -6.133 1.00 0.71 C ATOM 87 C LYS A 7 19.280 -2.170 -5.284 1.00 0.64 C ATOM 88 O LYS A 7 18.298 -2.708 -5.787 1.00 0.62 O ATOM 89 CB LYS A 7 21.787 -2.341 -5.447 1.00 0.80 C ATOM 90 CG LYS A 7 21.830 -3.849 -5.219 1.00 0.86 C ATOM 91 CD LYS A 7 21.669 -4.624 -6.522 1.00 1.04 C ATOM 92 CE LYS A 7 21.732 -6.128 -6.282 1.00 1.23 C ATOM 93 NZ LYS A 7 21.553 -6.903 -7.539 1.00 1.87 N1+ ATOM 0 H LYS A 7 20.859 0.143 -5.601 1.00 0.69 H new ATOM 0 HA LYS A 7 20.399 -2.376 -7.082 1.00 0.71 H new ATOM 0 HB2 LYS A 7 22.646 -2.051 -6.052 1.00 0.80 H new ATOM 0 HB3 LYS A 7 21.888 -1.836 -4.487 1.00 0.80 H new ATOM 0 HG2 LYS A 7 22.776 -4.119 -4.750 1.00 0.86 H new ATOM 0 HG3 LYS A 7 21.038 -4.134 -4.526 1.00 0.86 H new ATOM 0 HD2 LYS A 7 20.717 -4.367 -6.985 1.00 1.04 H new ATOM 0 HD3 LYS A 7 22.453 -4.332 -7.221 1.00 1.04 H new ATOM 0 HE2 LYS A 7 22.692 -6.383 -5.833 1.00 1.23 H new ATOM 0 HE3 LYS A 7 20.960 -6.413 -5.568 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 21.603 -7.920 -7.330 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 20.626 -6.680 -7.955 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 22.305 -6.651 -8.212 1.00 1.87 H new ATOM 107 N GLN A 8 19.329 -1.826 -4.005 1.00 0.66 N ATOM 108 CA GLN A 8 18.217 -2.100 -3.102 1.00 0.62 C ATOM 109 C GLN A 8 17.243 -0.927 -3.046 1.00 0.56 C ATOM 110 O GLN A 8 16.071 -1.103 -2.725 1.00 0.53 O ATOM 111 CB GLN A 8 18.733 -2.426 -1.699 1.00 0.68 C ATOM 112 CG GLN A 8 19.637 -3.649 -1.654 1.00 0.78 C ATOM 113 CD GLN A 8 21.109 -3.292 -1.689 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.494 -2.238 -2.200 1.00 1.46 O ATOM 115 NE2 GLN A 8 21.942 -4.169 -1.163 1.00 1.15 N ATOM 0 H GLN A 8 20.124 -1.358 -3.569 1.00 0.66 H new ATOM 0 HA GLN A 8 17.680 -2.965 -3.491 1.00 0.62 H new ATOM 0 HB2 GLN A 8 19.279 -1.566 -1.312 1.00 0.68 H new ATOM 0 HB3 GLN A 8 17.883 -2.588 -1.036 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.427 -4.217 -0.748 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.405 -4.298 -2.498 1.00 0.78 H new ATOM 0 HE21 GLN A 8 21.583 -5.029 -0.750 1.00 1.15 H new ATOM 0 HE22 GLN A 8 22.946 -3.987 -1.169 1.00 1.15 H new ATOM 124 N TYR A 9 17.728 0.265 -3.350 1.00 0.57 N ATOM 125 CA TYR A 9 16.880 1.446 -3.339 1.00 0.54 C ATOM 126 C TYR A 9 17.312 2.410 -4.429 1.00 0.55 C ATOM 127 O TYR A 9 18.442 2.340 -4.909 1.00 0.62 O ATOM 128 CB TYR A 9 16.893 2.135 -1.964 1.00 0.54 C ATOM 129 CG TYR A 9 18.184 2.847 -1.609 1.00 0.56 C ATOM 130 CD1 TYR A 9 19.203 2.182 -0.945 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.376 4.187 -1.928 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.377 2.827 -0.607 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.547 4.839 -1.597 1.00 0.65 C ATOM 134 CZ TYR A 9 20.545 4.153 -0.936 1.00 0.69 C ATOM 135 OH TYR A 9 21.711 4.796 -0.607 1.00 0.79 O ATOM 0 H TYR A 9 18.699 0.441 -3.606 1.00 0.57 H new ATOM 0 HA TYR A 9 15.856 1.129 -3.536 1.00 0.54 H new ATOM 0 HB2 TYR A 9 16.078 2.857 -1.930 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.688 1.386 -1.199 1.00 0.54 H new ATOM 0 HD1 TYR A 9 19.077 1.141 -0.687 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.596 4.727 -2.444 1.00 0.59 H new ATOM 0 HE1 TYR A 9 21.159 2.294 -0.087 1.00 0.70 H new ATOM 0 HE2 TYR A 9 19.681 5.879 -1.854 1.00 0.65 H new ATOM 0 HH TYR A 9 21.669 5.727 -0.911 1.00 0.79 H new ATOM 145 N THR A 10 16.410 3.291 -4.825 1.00 0.53 N ATOM 146 CA THR A 10 16.701 4.264 -5.860 1.00 0.56 C ATOM 147 C THR A 10 16.341 5.673 -5.405 1.00 0.55 C ATOM 148 O THR A 10 15.205 5.940 -5.006 1.00 0.56 O ATOM 149 CB THR A 10 15.930 3.945 -7.155 1.00 0.59 C ATOM 150 OG1 THR A 10 15.488 2.581 -7.142 1.00 0.83 O ATOM 151 CG2 THR A 10 16.803 4.180 -8.377 1.00 0.90 C ATOM 0 H THR A 10 15.466 3.351 -4.443 1.00 0.53 H new ATOM 0 HA THR A 10 17.772 4.211 -6.056 1.00 0.56 H new ATOM 0 HB THR A 10 15.067 4.609 -7.207 1.00 0.59 H new ATOM 0 HG1 THR A 10 14.525 2.548 -7.320 1.00 0.83 H new ATOM 0 HG21 THR A 10 16.237 3.948 -9.279 1.00 0.90 H new ATOM 0 HG22 THR A 10 17.117 5.223 -8.404 1.00 0.90 H new ATOM 0 HG23 THR A 10 17.682 3.537 -8.325 1.00 0.90 H new ATOM 159 N THR A 11 17.318 6.561 -5.432 1.00 0.63 N ATOM 160 CA THR A 11 17.105 7.943 -5.056 1.00 0.65 C ATOM 161 C THR A 11 16.343 8.669 -6.163 1.00 0.65 C ATOM 162 O THR A 11 16.789 8.721 -7.308 1.00 0.73 O ATOM 163 CB THR A 11 18.447 8.653 -4.784 1.00 0.71 C ATOM 164 OG1 THR A 11 19.274 7.824 -3.952 1.00 1.11 O ATOM 165 CG2 THR A 11 18.229 9.998 -4.104 1.00 0.97 C ATOM 0 H THR A 11 18.274 6.345 -5.713 1.00 0.63 H new ATOM 0 HA THR A 11 16.517 7.964 -4.139 1.00 0.65 H new ATOM 0 HB THR A 11 18.940 8.827 -5.741 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.614 7.069 -4.477 1.00 1.11 H new ATOM 0 HG21 THR A 11 19.192 10.475 -3.925 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.622 10.636 -4.746 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.717 9.847 -3.154 1.00 0.97 H new ATOM 173 N LEU A 12 15.179 9.201 -5.825 1.00 0.63 N ATOM 174 CA LEU A 12 14.354 9.905 -6.794 1.00 0.65 C ATOM 175 C LEU A 12 14.952 11.258 -7.149 1.00 0.69 C ATOM 176 O LEU A 12 15.423 11.994 -6.277 1.00 0.71 O ATOM 177 CB LEU A 12 12.937 10.091 -6.247 1.00 0.66 C ATOM 178 CG LEU A 12 12.208 8.803 -5.871 1.00 0.67 C ATOM 179 CD1 LEU A 12 10.897 9.122 -5.171 1.00 0.74 C ATOM 180 CD2 LEU A 12 11.952 7.942 -7.104 1.00 0.72 C ATOM 0 H LEU A 12 14.784 9.159 -4.886 1.00 0.63 H new ATOM 0 HA LEU A 12 14.315 9.301 -7.700 1.00 0.65 H new ATOM 0 HB2 LEU A 12 12.986 10.731 -5.366 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.344 10.620 -6.993 1.00 0.66 H new ATOM 0 HG LEU A 12 12.844 8.240 -5.188 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.389 8.194 -4.909 1.00 0.74 H new ATOM 0 HD12 LEU A 12 11.098 9.694 -4.265 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.263 9.708 -5.836 1.00 0.74 H new ATOM 0 HD21 LEU A 12 11.432 7.031 -6.810 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.339 8.497 -7.814 1.00 0.72 H new ATOM 0 HD23 LEU A 12 12.902 7.683 -7.570 1.00 0.72 H new ATOM 192 N GLU A 13 14.936 11.570 -8.437 1.00 0.75 N ATOM 193 CA GLU A 13 15.453 12.839 -8.921 1.00 0.81 C ATOM 194 C GLU A 13 14.437 13.928 -8.632 1.00 0.80 C ATOM 195 O GLU A 13 14.789 15.080 -8.385 1.00 0.89 O ATOM 196 CB GLU A 13 15.731 12.784 -10.424 1.00 0.92 C ATOM 197 CG GLU A 13 16.504 11.550 -10.867 1.00 1.05 C ATOM 198 CD GLU A 13 16.866 11.584 -12.340 1.00 1.67 C ATOM 199 OE1 GLU A 13 16.452 12.532 -13.044 1.00 2.33 O ATOM 200 OE2 GLU A 13 17.583 10.668 -12.802 1.00 2.28 O1- ATOM 0 H GLU A 13 14.569 10.959 -9.166 1.00 0.75 H new ATOM 0 HA GLU A 13 16.392 13.052 -8.410 1.00 0.81 H new ATOM 0 HB2 GLU A 13 14.782 12.817 -10.960 1.00 0.92 H new ATOM 0 HB3 GLU A 13 16.291 13.674 -10.712 1.00 0.92 H new ATOM 0 HG2 GLU A 13 17.415 11.465 -10.275 1.00 1.05 H new ATOM 0 HG3 GLU A 13 15.908 10.660 -10.664 1.00 1.05 H new ATOM 207 N LYS A 14 13.168 13.540 -8.658 1.00 0.75 N ATOM 208 CA LYS A 14 12.073 14.457 -8.397 1.00 0.76 C ATOM 209 C LYS A 14 11.264 13.979 -7.194 1.00 0.70 C ATOM 210 O LYS A 14 10.253 13.297 -7.356 1.00 0.71 O ATOM 211 CB LYS A 14 11.165 14.557 -9.626 1.00 0.84 C ATOM 212 CG LYS A 14 11.881 15.019 -10.886 1.00 1.51 C ATOM 213 CD LYS A 14 12.335 16.463 -10.782 1.00 2.21 C ATOM 214 CE LYS A 14 12.986 16.935 -12.071 1.00 3.19 C ATOM 215 NZ LYS A 14 13.587 18.284 -11.926 1.00 3.64 N1+ ATOM 0 H LYS A 14 12.873 12.585 -8.860 1.00 0.75 H new ATOM 0 HA LYS A 14 12.486 15.442 -8.179 1.00 0.76 H new ATOM 0 HB2 LYS A 14 10.714 13.582 -9.813 1.00 0.84 H new ATOM 0 HB3 LYS A 14 10.351 15.248 -9.409 1.00 0.84 H new ATOM 0 HG2 LYS A 14 12.745 14.379 -11.068 1.00 1.51 H new ATOM 0 HG3 LYS A 14 11.216 14.908 -11.743 1.00 1.51 H new ATOM 0 HD2 LYS A 14 11.480 17.099 -10.551 1.00 2.21 H new ATOM 0 HD3 LYS A 14 13.041 16.565 -9.958 1.00 2.21 H new ATOM 0 HE2 LYS A 14 13.757 16.224 -12.370 1.00 3.19 H new ATOM 0 HE3 LYS A 14 12.243 16.953 -12.868 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 14.021 18.570 -12.827 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 12.847 18.967 -11.666 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 14.315 18.262 -11.183 1.00 3.64 H new ATOM 229 N PRO A 15 11.713 14.304 -5.972 1.00 0.70 N ATOM 230 CA PRO A 15 11.016 13.903 -4.748 1.00 0.68 C ATOM 231 C PRO A 15 9.735 14.698 -4.532 1.00 0.67 C ATOM 232 O PRO A 15 9.536 15.753 -5.145 1.00 0.76 O ATOM 233 CB PRO A 15 12.025 14.216 -3.648 1.00 0.72 C ATOM 234 CG PRO A 15 12.881 15.302 -4.202 1.00 0.85 C ATOM 235 CD PRO A 15 12.931 15.086 -5.690 1.00 0.79 C ATOM 0 HA PRO A 15 10.707 12.858 -4.776 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.525 14.536 -2.734 1.00 0.72 H new ATOM 0 HB3 PRO A 15 12.618 13.337 -3.396 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.467 16.282 -3.966 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.881 15.266 -3.771 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.934 16.032 -6.232 1.00 0.79 H new ATOM 0 HD3 PRO A 15 13.831 14.546 -5.986 1.00 0.79 H new ATOM 243 N VAL A 16 8.872 14.195 -3.664 1.00 0.62 N ATOM 244 CA VAL A 16 7.612 14.864 -3.375 1.00 0.64 C ATOM 245 C VAL A 16 7.694 15.615 -2.055 1.00 0.64 C ATOM 246 O VAL A 16 7.859 15.014 -0.992 1.00 0.66 O ATOM 247 CB VAL A 16 6.437 13.866 -3.328 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.115 14.599 -3.157 1.00 0.70 C ATOM 249 CG2 VAL A 16 6.413 13.007 -4.582 1.00 0.72 C ATOM 0 H VAL A 16 9.020 13.328 -3.148 1.00 0.62 H new ATOM 0 HA VAL A 16 7.430 15.572 -4.183 1.00 0.64 H new ATOM 0 HB VAL A 16 6.579 13.213 -2.467 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.300 13.876 -3.126 1.00 0.70 H new ATOM 0 HG12 VAL A 16 5.132 15.167 -2.227 1.00 0.70 H new ATOM 0 HG13 VAL A 16 4.965 15.280 -3.995 1.00 0.70 H new ATOM 0 HG21 VAL A 16 5.577 12.310 -4.529 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.299 13.645 -5.458 1.00 0.72 H new ATOM 0 HG23 VAL A 16 7.346 12.449 -4.659 1.00 0.72 H new ATOM 259 N ALA A 17 7.590 16.932 -2.134 1.00 0.71 N ATOM 260 CA ALA A 17 7.651 17.771 -0.951 1.00 0.75 C ATOM 261 C ALA A 17 6.338 17.707 -0.184 1.00 0.72 C ATOM 262 O ALA A 17 5.305 18.178 -0.661 1.00 0.80 O ATOM 263 CB ALA A 17 7.977 19.203 -1.332 1.00 0.89 C ATOM 0 H ALA A 17 7.463 17.443 -3.008 1.00 0.71 H new ATOM 0 HA ALA A 17 8.445 17.398 -0.304 1.00 0.75 H new ATOM 0 HB1 ALA A 17 8.019 19.818 -0.433 1.00 0.89 H new ATOM 0 HB2 ALA A 17 8.942 19.234 -1.838 1.00 0.89 H new ATOM 0 HB3 ALA A 17 7.205 19.587 -1.999 1.00 0.89 H new ATOM 269 N GLY A 18 6.385 17.109 0.995 1.00 0.71 N ATOM 270 CA GLY A 18 5.192 16.979 1.809 1.00 0.73 C ATOM 271 C GLY A 18 4.643 15.564 1.802 1.00 0.68 C ATOM 272 O GLY A 18 3.467 15.340 2.099 1.00 0.73 O ATOM 0 H GLY A 18 7.229 16.710 1.405 1.00 0.71 H new ATOM 0 HA2 GLY A 18 5.420 17.273 2.834 1.00 0.73 H new ATOM 0 HA3 GLY A 18 4.428 17.665 1.443 1.00 0.73 H new ATOM 276 N ALA A 19 5.494 14.609 1.460 1.00 0.64 N ATOM 277 CA ALA A 19 5.100 13.210 1.413 1.00 0.60 C ATOM 278 C ALA A 19 5.262 12.564 2.786 1.00 0.57 C ATOM 279 O ALA A 19 6.059 13.031 3.598 1.00 0.61 O ATOM 280 CB ALA A 19 5.932 12.473 0.377 1.00 0.61 C ATOM 0 H ALA A 19 6.468 14.779 1.209 1.00 0.64 H new ATOM 0 HA ALA A 19 4.049 13.149 1.129 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.632 11.426 0.347 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.775 12.924 -0.603 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.987 12.540 0.643 1.00 0.61 H new ATOM 286 N PRO A 20 4.495 11.502 3.076 1.00 0.54 N ATOM 287 CA PRO A 20 4.585 10.805 4.358 1.00 0.54 C ATOM 288 C PRO A 20 5.852 9.962 4.469 1.00 0.51 C ATOM 289 O PRO A 20 6.477 9.628 3.461 1.00 0.52 O ATOM 290 CB PRO A 20 3.343 9.908 4.362 1.00 0.55 C ATOM 291 CG PRO A 20 3.022 9.681 2.928 1.00 0.56 C ATOM 292 CD PRO A 20 3.472 10.912 2.190 1.00 0.55 C ATOM 0 HA PRO A 20 4.629 11.498 5.198 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.539 8.967 4.876 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.513 10.387 4.880 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.533 8.795 2.552 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.953 9.515 2.791 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.885 10.663 1.213 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.645 11.601 2.020 1.00 0.55 H new ATOM 300 N GLN A 21 6.209 9.615 5.697 1.00 0.52 N ATOM 301 CA GLN A 21 7.402 8.816 5.968 1.00 0.51 C ATOM 302 C GLN A 21 7.362 7.483 5.227 1.00 0.46 C ATOM 303 O GLN A 21 8.271 7.157 4.464 1.00 0.47 O ATOM 304 CB GLN A 21 7.532 8.579 7.472 1.00 0.56 C ATOM 305 CG GLN A 21 8.030 9.798 8.234 1.00 0.66 C ATOM 306 CD GLN A 21 7.568 9.818 9.680 1.00 0.93 C ATOM 307 OE1 GLN A 21 8.206 9.240 10.560 1.00 1.79 O ATOM 308 NE2 GLN A 21 6.466 10.503 9.944 1.00 0.95 N ATOM 0 H GLN A 21 5.685 9.876 6.532 1.00 0.52 H new ATOM 0 HA GLN A 21 8.270 9.368 5.609 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.562 8.281 7.871 1.00 0.56 H new ATOM 0 HB3 GLN A 21 8.216 7.748 7.644 1.00 0.56 H new ATOM 0 HG2 GLN A 21 9.119 9.818 8.205 1.00 0.66 H new ATOM 0 HG3 GLN A 21 7.681 10.701 7.733 1.00 0.66 H new ATOM 0 HE21 GLN A 21 5.963 10.970 9.190 1.00 0.95 H new ATOM 0 HE22 GLN A 21 6.121 10.564 10.902 1.00 0.95 H new ATOM 317 N VAL A 22 6.315 6.708 5.455 1.00 0.43 N ATOM 318 CA VAL A 22 6.174 5.422 4.797 1.00 0.40 C ATOM 319 C VAL A 22 5.007 5.453 3.819 1.00 0.38 C ATOM 320 O VAL A 22 3.846 5.287 4.205 1.00 0.42 O ATOM 321 CB VAL A 22 5.982 4.280 5.816 1.00 0.42 C ATOM 322 CG1 VAL A 22 5.856 2.936 5.115 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.141 4.261 6.804 1.00 0.45 C ATOM 0 H VAL A 22 5.553 6.947 6.089 1.00 0.43 H new ATOM 0 HA VAL A 22 7.096 5.229 4.249 1.00 0.40 H new ATOM 0 HB VAL A 22 5.056 4.460 6.362 1.00 0.42 H new ATOM 0 HG11 VAL A 22 5.722 2.149 5.858 1.00 0.45 H new ATOM 0 HG12 VAL A 22 4.996 2.954 4.446 1.00 0.45 H new ATOM 0 HG13 VAL A 22 6.760 2.740 4.539 1.00 0.45 H new ATOM 0 HG21 VAL A 22 6.996 3.451 7.519 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.076 4.106 6.265 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.182 5.212 7.336 1.00 0.45 H new ATOM 333 N LEU A 23 5.324 5.700 2.555 1.00 0.36 N ATOM 334 CA LEU A 23 4.322 5.756 1.501 1.00 0.36 C ATOM 335 C LEU A 23 4.315 4.443 0.726 1.00 0.32 C ATOM 336 O LEU A 23 5.309 4.082 0.101 1.00 0.35 O ATOM 337 CB LEU A 23 4.624 6.927 0.559 1.00 0.41 C ATOM 338 CG LEU A 23 3.641 7.121 -0.595 1.00 0.46 C ATOM 339 CD1 LEU A 23 2.249 7.425 -0.067 1.00 0.51 C ATOM 340 CD2 LEU A 23 4.118 8.235 -1.514 1.00 0.53 C ATOM 0 H LEU A 23 6.278 5.866 2.233 1.00 0.36 H new ATOM 0 HA LEU A 23 3.339 5.908 1.946 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.651 7.844 1.147 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.621 6.786 0.142 1.00 0.41 H new ATOM 0 HG LEU A 23 3.594 6.195 -1.168 1.00 0.46 H new ATOM 0 HD11 LEU A 23 1.564 7.560 -0.904 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.906 6.597 0.553 1.00 0.51 H new ATOM 0 HD13 LEU A 23 2.277 8.337 0.529 1.00 0.51 H new ATOM 0 HD21 LEU A 23 3.408 8.362 -2.331 1.00 0.53 H new ATOM 0 HD22 LEU A 23 4.192 9.165 -0.950 1.00 0.53 H new ATOM 0 HD23 LEU A 23 5.096 7.978 -1.920 1.00 0.53 H new ATOM 352 N GLU A 24 3.204 3.726 0.780 1.00 0.32 N ATOM 353 CA GLU A 24 3.087 2.449 0.092 1.00 0.30 C ATOM 354 C GLU A 24 1.859 2.432 -0.816 1.00 0.29 C ATOM 355 O GLU A 24 0.880 3.134 -0.560 1.00 0.35 O ATOM 356 CB GLU A 24 2.995 1.317 1.117 1.00 0.36 C ATOM 357 CG GLU A 24 3.287 -0.057 0.543 1.00 0.39 C ATOM 358 CD GLU A 24 2.663 -1.165 1.359 1.00 0.90 C ATOM 359 OE1 GLU A 24 2.923 -1.231 2.580 1.00 1.54 O1- ATOM 360 OE2 GLU A 24 1.896 -1.967 0.790 1.00 1.61 O ATOM 0 H GLU A 24 2.369 4.007 1.294 1.00 0.32 H new ATOM 0 HA GLU A 24 3.972 2.306 -0.527 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.695 1.517 1.929 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.995 1.314 1.551 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.913 -0.108 -0.480 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.366 -0.207 0.496 1.00 0.39 H new ATOM 367 N PHE A 25 1.925 1.641 -1.876 1.00 0.27 N ATOM 368 CA PHE A 25 0.823 1.514 -2.820 1.00 0.29 C ATOM 369 C PHE A 25 0.489 0.041 -3.021 1.00 0.29 C ATOM 370 O PHE A 25 1.333 -0.825 -2.788 1.00 0.34 O ATOM 371 CB PHE A 25 1.187 2.151 -4.166 1.00 0.35 C ATOM 372 CG PHE A 25 1.423 3.633 -4.090 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.380 4.522 -4.271 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.692 4.129 -3.839 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.596 5.885 -4.202 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.913 5.491 -3.769 1.00 0.50 C ATOM 377 CZ PHE A 25 1.862 6.368 -3.951 1.00 0.53 C ATOM 0 H PHE A 25 2.739 1.071 -2.106 1.00 0.27 H new ATOM 0 HA PHE A 25 -0.045 2.034 -2.415 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.084 1.669 -4.555 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.386 1.956 -4.879 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.614 4.147 -4.468 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.516 3.445 -3.697 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.226 6.571 -4.345 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.905 5.869 -3.572 1.00 0.50 H new ATOM 0 HZ PHE A 25 2.032 7.433 -3.897 1.00 0.53 H new ATOM 387 N PHE A 26 -0.743 -0.241 -3.443 1.00 0.31 N ATOM 388 CA PHE A 26 -1.174 -1.612 -3.684 1.00 0.32 C ATOM 389 C PHE A 26 -2.521 -1.644 -4.411 1.00 0.34 C ATOM 390 O PHE A 26 -3.134 -0.601 -4.662 1.00 0.38 O ATOM 391 CB PHE A 26 -1.270 -2.384 -2.358 1.00 0.34 C ATOM 392 CG PHE A 26 -2.546 -2.149 -1.591 1.00 0.36 C ATOM 393 CD1 PHE A 26 -2.991 -0.863 -1.318 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.304 -3.221 -1.144 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.162 -0.655 -0.616 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.473 -3.016 -0.443 1.00 0.44 C ATOM 397 CZ PHE A 26 -4.904 -1.733 -0.179 1.00 0.51 C ATOM 0 H PHE A 26 -1.458 0.463 -3.624 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.431 -2.092 -4.320 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.176 -3.450 -2.565 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.425 -2.106 -1.728 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.415 -0.015 -1.658 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -2.974 -4.229 -1.348 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.497 0.351 -0.409 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.052 -3.861 -0.100 1.00 0.44 H new ATOM 0 HZ PHE A 26 -5.821 -1.572 0.369 1.00 0.51 H new ATOM 407 N SER A 27 -2.975 -2.844 -4.759 1.00 0.35 N ATOM 408 CA SER A 27 -4.250 -3.014 -5.426 1.00 0.39 C ATOM 409 C SER A 27 -4.784 -4.416 -5.187 1.00 0.40 C ATOM 410 O SER A 27 -4.040 -5.392 -5.256 1.00 0.40 O ATOM 411 CB SER A 27 -4.138 -2.747 -6.930 1.00 0.42 C ATOM 412 OG SER A 27 -5.426 -2.536 -7.492 1.00 0.96 O ATOM 0 H SER A 27 -2.472 -3.714 -4.587 1.00 0.35 H new ATOM 0 HA SER A 27 -4.944 -2.286 -5.006 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.510 -1.873 -7.105 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.654 -3.591 -7.421 1.00 0.42 H new ATOM 0 HG SER A 27 -6.033 -2.197 -6.801 1.00 0.96 H new ATOM 418 N PHE A 28 -6.081 -4.504 -4.905 1.00 0.45 N ATOM 419 CA PHE A 28 -6.731 -5.785 -4.650 1.00 0.48 C ATOM 420 C PHE A 28 -6.838 -6.608 -5.932 1.00 0.50 C ATOM 421 O PHE A 28 -7.076 -7.813 -5.887 1.00 0.54 O ATOM 422 CB PHE A 28 -8.124 -5.572 -4.049 1.00 0.53 C ATOM 423 CG PHE A 28 -8.119 -4.808 -2.751 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.911 -5.463 -1.548 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.328 -3.439 -2.738 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.911 -4.763 -0.354 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.329 -2.734 -1.549 1.00 0.62 C ATOM 428 CZ PHE A 28 -8.120 -3.396 -0.355 1.00 0.60 C ATOM 0 H PHE A 28 -6.705 -3.699 -4.847 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.118 -6.334 -3.936 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.743 -5.039 -4.771 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.591 -6.543 -3.886 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.747 -6.530 -1.542 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.492 -2.916 -3.668 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.748 -5.284 0.578 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.493 -1.667 -1.554 1.00 0.62 H new ATOM 0 HZ PHE A 28 -8.120 -2.848 0.575 1.00 0.60 H new ATOM 438 N PHE A 29 -6.651 -5.949 -7.069 1.00 0.51 N ATOM 439 CA PHE A 29 -6.723 -6.612 -8.365 1.00 0.55 C ATOM 440 C PHE A 29 -5.362 -7.162 -8.766 1.00 0.50 C ATOM 441 O PHE A 29 -5.218 -7.774 -9.820 1.00 0.58 O ATOM 442 CB PHE A 29 -7.215 -5.634 -9.432 1.00 0.59 C ATOM 443 CG PHE A 29 -8.681 -5.343 -9.349 1.00 0.89 C ATOM 444 CD1 PHE A 29 -9.600 -6.202 -9.927 1.00 1.21 C ATOM 445 CD2 PHE A 29 -9.142 -4.213 -8.697 1.00 1.17 C ATOM 446 CE1 PHE A 29 -10.953 -5.941 -9.852 1.00 1.63 C ATOM 447 CE2 PHE A 29 -10.494 -3.945 -8.624 1.00 1.60 C ATOM 448 CZ PHE A 29 -11.398 -4.810 -9.201 1.00 1.78 C ATOM 0 H PHE A 29 -6.447 -4.951 -7.119 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.426 -7.441 -8.283 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.662 -4.699 -9.339 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -6.989 -6.041 -10.418 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -9.254 -7.086 -10.442 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -8.437 -3.534 -8.241 1.00 1.17 H new ATOM 0 HE1 PHE A 29 -11.661 -6.621 -10.302 1.00 1.63 H new ATOM 0 HE2 PHE A 29 -10.843 -3.058 -8.115 1.00 1.60 H new ATOM 0 HZ PHE A 29 -12.456 -4.602 -9.143 1.00 1.78 H new ATOM 458 N CYS A 30 -4.364 -6.939 -7.926 1.00 0.46 N ATOM 459 CA CYS A 30 -3.020 -7.412 -8.209 1.00 0.44 C ATOM 460 C CYS A 30 -2.677 -8.585 -7.299 1.00 0.45 C ATOM 461 O CYS A 30 -2.600 -8.432 -6.078 1.00 0.44 O ATOM 462 CB CYS A 30 -2.002 -6.283 -8.030 1.00 0.41 C ATOM 463 SG CYS A 30 -0.282 -6.789 -8.278 1.00 0.48 S ATOM 0 H CYS A 30 -4.460 -6.434 -7.045 1.00 0.46 H new ATOM 0 HA CYS A 30 -2.980 -7.747 -9.246 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.238 -5.482 -8.730 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.107 -5.870 -7.027 1.00 0.41 H new ATOM 0 HG CYS A 30 0.436 -6.397 -7.267 1.00 0.48 H new ATOM 469 N PRO A 31 -2.465 -9.774 -7.880 1.00 0.51 N ATOM 470 CA PRO A 31 -2.126 -10.973 -7.111 1.00 0.56 C ATOM 471 C PRO A 31 -0.780 -10.838 -6.400 1.00 0.50 C ATOM 472 O PRO A 31 -0.549 -11.454 -5.357 1.00 0.50 O ATOM 473 CB PRO A 31 -2.088 -12.091 -8.155 1.00 0.67 C ATOM 474 CG PRO A 31 -1.973 -11.417 -9.482 1.00 0.70 C ATOM 475 CD PRO A 31 -2.544 -10.037 -9.329 1.00 0.58 C ATOM 0 HA PRO A 31 -2.848 -11.162 -6.316 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -1.243 -12.757 -7.982 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.990 -12.701 -8.105 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.932 -11.370 -9.801 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.515 -11.975 -10.245 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -1.973 -9.304 -9.899 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.572 -9.989 -9.687 1.00 0.58 H new ATOM 483 N HIS A 32 0.098 -10.006 -6.956 1.00 0.49 N ATOM 484 CA HIS A 32 1.412 -9.786 -6.365 1.00 0.48 C ATOM 485 C HIS A 32 1.277 -9.003 -5.066 1.00 0.39 C ATOM 486 O HIS A 32 2.106 -9.126 -4.167 1.00 0.42 O ATOM 487 CB HIS A 32 2.333 -9.050 -7.343 1.00 0.57 C ATOM 488 CG HIS A 32 3.789 -9.374 -7.157 1.00 0.72 C ATOM 489 ND1 HIS A 32 4.259 -10.664 -7.007 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.883 -8.574 -7.124 1.00 1.25 C ATOM 491 CE1 HIS A 32 5.569 -10.638 -6.873 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.974 -9.388 -6.945 1.00 1.42 N ATOM 0 H HIS A 32 -0.077 -9.477 -7.810 1.00 0.49 H new ATOM 0 HA HIS A 32 1.859 -10.756 -6.146 1.00 0.48 H new ATOM 0 HB2 HIS A 32 2.041 -9.300 -8.363 1.00 0.57 H new ATOM 0 HB3 HIS A 32 2.190 -7.976 -7.225 1.00 0.57 H new ATOM 0 HD2 HIS A 32 4.894 -7.498 -7.220 1.00 1.25 H new ATOM 0 HE1 HIS A 32 6.205 -11.499 -6.728 1.00 1.74 H new ATOM 0 HE2 HIS A 32 6.942 -9.074 -6.879 1.00 1.42 H new ATOM 501 N CYS A 33 0.220 -8.200 -4.967 1.00 0.37 N ATOM 502 CA CYS A 33 -0.029 -7.426 -3.760 1.00 0.32 C ATOM 503 C CYS A 33 -0.483 -8.355 -2.644 1.00 0.32 C ATOM 504 O CYS A 33 -0.116 -8.171 -1.487 1.00 0.29 O ATOM 505 CB CYS A 33 -1.081 -6.348 -4.010 1.00 0.34 C ATOM 506 SG CYS A 33 -0.519 -5.023 -5.097 1.00 0.36 S ATOM 0 H CYS A 33 -0.472 -8.071 -5.705 1.00 0.37 H new ATOM 0 HA CYS A 33 0.897 -6.931 -3.466 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -1.967 -6.811 -4.445 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.382 -5.919 -3.055 1.00 0.34 H new ATOM 0 HG CYS A 33 0.206 -4.184 -4.419 1.00 0.36 H new ATOM 512 N TYR A 34 -1.272 -9.366 -3.008 1.00 0.40 N ATOM 513 CA TYR A 34 -1.756 -10.336 -2.034 1.00 0.44 C ATOM 514 C TYR A 34 -0.581 -11.131 -1.479 1.00 0.41 C ATOM 515 O TYR A 34 -0.545 -11.478 -0.300 1.00 0.41 O ATOM 516 CB TYR A 34 -2.780 -11.282 -2.671 1.00 0.55 C ATOM 517 CG TYR A 34 -3.482 -12.184 -1.676 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.329 -11.657 -0.713 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.295 -13.561 -1.701 1.00 0.94 C ATOM 520 CE1 TYR A 34 -4.971 -12.473 0.201 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.937 -14.386 -0.791 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.771 -13.834 0.159 1.00 0.73 C ATOM 523 OH TYR A 34 -5.407 -14.645 1.072 1.00 0.85 O ATOM 0 H TYR A 34 -1.586 -9.532 -3.964 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.248 -9.801 -1.221 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.527 -10.690 -3.201 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.277 -11.900 -3.415 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -4.490 -10.590 -0.676 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.639 -13.995 -2.441 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -5.626 -12.044 0.944 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.785 -15.455 -0.825 1.00 1.02 H new ATOM 0 HH TYR A 34 -5.161 -15.579 0.907 1.00 0.85 H new ATOM 533 N GLN A 35 0.381 -11.407 -2.350 1.00 0.44 N ATOM 534 CA GLN A 35 1.579 -12.137 -1.974 1.00 0.47 C ATOM 535 C GLN A 35 2.398 -11.318 -0.981 1.00 0.37 C ATOM 536 O GLN A 35 2.860 -11.830 0.036 1.00 0.39 O ATOM 537 CB GLN A 35 2.401 -12.452 -3.228 1.00 0.61 C ATOM 538 CG GLN A 35 3.792 -12.992 -2.945 1.00 1.02 C ATOM 539 CD GLN A 35 4.474 -13.518 -4.198 1.00 1.41 C ATOM 540 OE1 GLN A 35 4.189 -13.076 -5.311 1.00 1.89 O ATOM 541 NE2 GLN A 35 5.382 -14.467 -4.026 1.00 2.27 N ATOM 0 H GLN A 35 0.351 -11.132 -3.332 1.00 0.44 H new ATOM 0 HA GLN A 35 1.299 -13.075 -1.494 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.858 -13.179 -3.831 1.00 0.61 H new ATOM 0 HB3 GLN A 35 2.491 -11.545 -3.826 1.00 0.61 H new ATOM 0 HG2 GLN A 35 4.403 -12.203 -2.506 1.00 1.02 H new ATOM 0 HG3 GLN A 35 3.725 -13.792 -2.207 1.00 1.02 H new ATOM 0 HE21 GLN A 35 5.592 -14.808 -3.088 1.00 2.27 H new ATOM 0 HE22 GLN A 35 5.872 -14.856 -4.832 1.00 2.27 H new ATOM 550 N PHE A 36 2.535 -10.035 -1.261 1.00 0.33 N ATOM 551 CA PHE A 36 3.299 -9.144 -0.403 1.00 0.29 C ATOM 552 C PHE A 36 2.578 -8.865 0.921 1.00 0.23 C ATOM 553 O PHE A 36 3.225 -8.702 1.955 1.00 0.29 O ATOM 554 CB PHE A 36 3.571 -7.820 -1.127 1.00 0.34 C ATOM 555 CG PHE A 36 4.814 -7.825 -1.971 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.050 -8.843 -2.877 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.742 -6.805 -1.856 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.193 -8.845 -3.654 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.886 -6.800 -2.631 1.00 0.83 C ATOM 560 CZ PHE A 36 7.112 -7.823 -3.531 1.00 0.87 C ATOM 0 H PHE A 36 2.126 -9.584 -2.079 1.00 0.33 H new ATOM 0 HA PHE A 36 4.241 -9.642 -0.174 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.716 -7.582 -1.760 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.651 -7.024 -0.387 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.334 -9.645 -2.978 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.570 -6.004 -1.153 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.367 -9.646 -4.357 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.602 -5.998 -2.533 1.00 0.83 H new ATOM 0 HZ PHE A 36 8.006 -7.823 -4.137 1.00 0.87 H new ATOM 570 N GLU A 37 1.249 -8.834 0.895 1.00 0.25 N ATOM 571 CA GLU A 37 0.472 -8.529 2.097 1.00 0.36 C ATOM 572 C GLU A 37 0.153 -9.764 2.946 1.00 0.30 C ATOM 573 O GLU A 37 0.411 -9.771 4.145 1.00 0.46 O ATOM 574 CB GLU A 37 -0.835 -7.825 1.710 1.00 0.54 C ATOM 575 CG GLU A 37 -1.549 -7.165 2.881 1.00 0.95 C ATOM 576 CD GLU A 37 -1.103 -5.733 3.096 1.00 1.33 C ATOM 577 OE1 GLU A 37 -1.557 -4.845 2.337 1.00 1.87 O ATOM 578 OE2 GLU A 37 -0.291 -5.486 4.014 1.00 1.89 O1- ATOM 0 H GLU A 37 0.689 -9.015 0.062 1.00 0.25 H new ATOM 0 HA GLU A 37 1.094 -7.875 2.708 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -0.619 -7.069 0.955 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.506 -8.551 1.251 1.00 0.54 H new ATOM 0 HG2 GLU A 37 -2.625 -7.185 2.705 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.363 -7.741 3.788 1.00 0.95 H new ATOM 585 N GLU A 38 -0.385 -10.816 2.338 1.00 0.30 N ATOM 586 CA GLU A 38 -0.781 -12.006 3.098 1.00 0.37 C ATOM 587 C GLU A 38 0.294 -13.097 3.140 1.00 0.34 C ATOM 588 O GLU A 38 0.430 -13.796 4.144 1.00 0.50 O ATOM 589 CB GLU A 38 -2.098 -12.571 2.545 1.00 0.55 C ATOM 590 CG GLU A 38 -2.586 -13.849 3.229 1.00 0.99 C ATOM 591 CD GLU A 38 -2.776 -13.708 4.731 1.00 1.34 C ATOM 592 OE1 GLU A 38 -2.467 -12.636 5.292 1.00 1.89 O ATOM 593 OE2 GLU A 38 -3.220 -14.687 5.368 1.00 2.00 O1- ATOM 0 H GLU A 38 -0.557 -10.874 1.334 1.00 0.30 H new ATOM 0 HA GLU A 38 -0.919 -11.681 4.129 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -2.871 -11.808 2.638 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -1.973 -12.771 1.481 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -3.532 -14.152 2.780 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -1.871 -14.649 3.036 1.00 0.99 H new ATOM 600 N VAL A 39 1.061 -13.255 2.080 1.00 0.33 N ATOM 601 CA VAL A 39 2.085 -14.291 2.070 1.00 0.37 C ATOM 602 C VAL A 39 3.342 -13.822 2.799 1.00 0.31 C ATOM 603 O VAL A 39 3.835 -14.496 3.704 1.00 0.43 O ATOM 604 CB VAL A 39 2.442 -14.737 0.637 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.473 -15.859 0.662 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.192 -15.178 -0.112 1.00 0.58 C ATOM 0 H VAL A 39 1.001 -12.695 1.230 1.00 0.33 H new ATOM 0 HA VAL A 39 1.670 -15.152 2.595 1.00 0.37 H new ATOM 0 HB VAL A 39 2.876 -13.886 0.113 1.00 0.48 H new ATOM 0 HG11 VAL A 39 3.710 -16.158 -0.359 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.379 -15.510 1.158 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.068 -16.713 1.205 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.463 -15.489 -1.121 1.00 0.58 H new ATOM 0 HG22 VAL A 39 0.729 -16.013 0.413 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.488 -14.348 -0.165 1.00 0.58 H new ATOM 616 N LEU A 40 3.847 -12.656 2.418 1.00 0.24 N ATOM 617 CA LEU A 40 5.056 -12.116 3.029 1.00 0.24 C ATOM 618 C LEU A 40 4.752 -11.198 4.215 1.00 0.23 C ATOM 619 O LEU A 40 5.531 -11.128 5.168 1.00 0.27 O ATOM 620 CB LEU A 40 5.870 -11.359 1.975 1.00 0.26 C ATOM 621 CG LEU A 40 6.294 -12.184 0.754 1.00 0.31 C ATOM 622 CD1 LEU A 40 7.121 -11.336 -0.199 1.00 0.35 C ATOM 623 CD2 LEU A 40 7.077 -13.413 1.197 1.00 0.41 C ATOM 0 H LEU A 40 3.440 -12.067 1.691 1.00 0.24 H new ATOM 0 HA LEU A 40 5.633 -12.957 3.415 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.284 -10.507 1.631 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.765 -10.959 2.451 1.00 0.26 H new ATOM 0 HG LEU A 40 5.399 -12.515 0.227 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.414 -11.937 -1.060 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.529 -10.484 -0.535 1.00 0.35 H new ATOM 0 HD13 LEU A 40 8.014 -10.978 0.314 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.373 -13.991 0.322 1.00 0.41 H new ATOM 0 HD22 LEU A 40 7.967 -13.100 1.743 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.452 -14.029 1.844 1.00 0.41 H new ATOM 635 N HIS A 41 3.615 -10.513 4.156 1.00 0.20 N ATOM 636 CA HIS A 41 3.210 -9.574 5.205 1.00 0.23 C ATOM 637 C HIS A 41 4.260 -8.471 5.335 1.00 0.22 C ATOM 638 O HIS A 41 4.710 -8.148 6.431 1.00 0.28 O ATOM 639 CB HIS A 41 2.999 -10.292 6.552 1.00 0.30 C ATOM 640 CG HIS A 41 1.594 -10.781 6.754 1.00 0.42 C ATOM 641 ND1 HIS A 41 0.659 -10.114 7.515 1.00 0.82 N ATOM 642 CD2 HIS A 41 0.966 -11.877 6.279 1.00 0.62 C ATOM 643 CE1 HIS A 41 -0.483 -10.767 7.480 1.00 0.84 C ATOM 644 NE2 HIS A 41 -0.329 -11.846 6.739 1.00 0.68 N ATOM 0 H HIS A 41 2.950 -10.589 3.387 1.00 0.20 H new ATOM 0 HA HIS A 41 2.255 -9.129 4.924 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.683 -11.138 6.615 1.00 0.30 H new ATOM 0 HB3 HIS A 41 3.259 -9.611 7.363 1.00 0.30 H new ATOM 0 HD1 HIS A 41 0.826 -9.248 8.027 1.00 0.82 H new ATOM 0 HD2 HIS A 41 1.402 -12.640 5.651 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -1.395 -10.468 7.976 1.00 0.84 H new ATOM 653 N ILE A 42 4.638 -7.901 4.190 1.00 0.23 N ATOM 654 CA ILE A 42 5.652 -6.849 4.123 1.00 0.26 C ATOM 655 C ILE A 42 5.334 -5.692 5.064 1.00 0.27 C ATOM 656 O ILE A 42 6.070 -5.444 6.017 1.00 0.31 O ATOM 657 CB ILE A 42 5.800 -6.303 2.682 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.239 -7.412 1.716 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.792 -5.146 2.646 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.619 -7.968 2.002 1.00 0.41 C ATOM 0 H ILE A 42 4.249 -8.156 3.282 1.00 0.23 H new ATOM 0 HA ILE A 42 6.591 -7.306 4.435 1.00 0.26 H new ATOM 0 HB ILE A 42 4.825 -5.936 2.360 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.515 -8.225 1.760 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.219 -7.022 0.698 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.882 -4.776 1.625 1.00 0.37 H new ATOM 0 HG22 ILE A 42 6.438 -4.343 3.293 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.766 -5.491 2.995 1.00 0.37 H new ATOM 0 HD11 ILE A 42 7.855 -8.746 1.276 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.356 -7.168 1.929 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.640 -8.390 3.007 1.00 0.41 H new ATOM 672 N SER A 43 4.227 -5.008 4.800 1.00 0.33 N ATOM 673 CA SER A 43 3.807 -3.865 5.598 1.00 0.39 C ATOM 674 C SER A 43 3.702 -4.203 7.083 1.00 0.38 C ATOM 675 O SER A 43 3.948 -3.349 7.937 1.00 0.45 O ATOM 676 CB SER A 43 2.470 -3.355 5.080 1.00 0.50 C ATOM 677 OG SER A 43 2.399 -3.508 3.677 1.00 1.03 O ATOM 0 H SER A 43 3.598 -5.230 4.029 1.00 0.33 H new ATOM 0 HA SER A 43 4.567 -3.090 5.501 1.00 0.39 H new ATOM 0 HB2 SER A 43 1.655 -3.902 5.554 1.00 0.50 H new ATOM 0 HB3 SER A 43 2.346 -2.305 5.345 1.00 0.50 H new ATOM 0 HG SER A 43 2.916 -2.797 3.244 1.00 1.03 H new ATOM 683 N ASP A 44 3.352 -5.446 7.386 1.00 0.37 N ATOM 684 CA ASP A 44 3.217 -5.886 8.770 1.00 0.44 C ATOM 685 C ASP A 44 4.577 -5.987 9.443 1.00 0.41 C ATOM 686 O ASP A 44 4.726 -5.649 10.618 1.00 0.52 O ATOM 687 CB ASP A 44 2.509 -7.236 8.838 1.00 0.51 C ATOM 688 CG ASP A 44 1.075 -7.119 9.306 1.00 0.92 C ATOM 689 OD1 ASP A 44 0.668 -6.018 9.733 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 0.344 -8.129 9.246 1.00 1.73 O ATOM 0 H ASP A 44 3.156 -6.168 6.693 1.00 0.37 H new ATOM 0 HA ASP A 44 2.619 -5.143 9.298 1.00 0.44 H new ATOM 0 HB2 ASP A 44 2.529 -7.702 7.853 1.00 0.51 H new ATOM 0 HB3 ASP A 44 3.055 -7.895 9.513 1.00 0.51 H new ATOM 695 N ASN A 45 5.572 -6.444 8.694 1.00 0.33 N ATOM 696 CA ASN A 45 6.922 -6.586 9.224 1.00 0.37 C ATOM 697 C ASN A 45 7.575 -5.225 9.397 1.00 0.39 C ATOM 698 O ASN A 45 8.361 -5.014 10.322 1.00 0.48 O ATOM 699 CB ASN A 45 7.776 -7.467 8.307 1.00 0.38 C ATOM 700 CG ASN A 45 7.565 -8.951 8.564 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.228 -9.542 9.411 1.00 1.19 O ATOM 702 ND2 ASN A 45 6.646 -9.565 7.833 1.00 1.12 N ATOM 0 H ASN A 45 5.470 -6.723 7.718 1.00 0.33 H new ATOM 0 HA ASN A 45 6.852 -7.067 10.200 1.00 0.37 H new ATOM 0 HB2 ASN A 45 7.536 -7.244 7.267 1.00 0.38 H new ATOM 0 HB3 ASN A 45 8.828 -7.223 8.451 1.00 0.38 H new ATOM 0 HD21 ASN A 45 6.471 -10.561 7.965 1.00 1.12 H new ATOM 0 HD22 ASN A 45 6.114 -9.042 7.138 1.00 1.12 H new ATOM 709 N VAL A 46 7.229 -4.300 8.511 1.00 0.33 N ATOM 710 CA VAL A 46 7.768 -2.945 8.559 1.00 0.36 C ATOM 711 C VAL A 46 7.400 -2.270 9.882 1.00 0.43 C ATOM 712 O VAL A 46 8.212 -1.553 10.472 1.00 0.49 O ATOM 713 CB VAL A 46 7.242 -2.098 7.373 1.00 0.33 C ATOM 714 CG1 VAL A 46 7.827 -0.696 7.394 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.551 -2.771 6.043 1.00 0.31 C ATOM 0 H VAL A 46 6.574 -4.464 7.746 1.00 0.33 H new ATOM 0 HA VAL A 46 8.853 -3.013 8.483 1.00 0.36 H new ATOM 0 HB VAL A 46 6.160 -2.021 7.483 1.00 0.33 H new ATOM 0 HG11 VAL A 46 7.439 -0.127 6.549 1.00 0.43 H new ATOM 0 HG12 VAL A 46 7.550 -0.200 8.324 1.00 0.43 H new ATOM 0 HG13 VAL A 46 8.913 -0.754 7.324 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.171 -2.156 5.227 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.629 -2.889 5.937 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.074 -3.751 6.011 1.00 0.31 H new ATOM 725 N LYS A 47 6.192 -2.549 10.362 1.00 0.46 N ATOM 726 CA LYS A 47 5.696 -1.979 11.614 1.00 0.56 C ATOM 727 C LYS A 47 6.553 -2.402 12.807 1.00 0.60 C ATOM 728 O LYS A 47 6.598 -1.712 13.822 1.00 0.70 O ATOM 729 CB LYS A 47 4.258 -2.436 11.860 1.00 0.61 C ATOM 730 CG LYS A 47 3.270 -2.013 10.788 1.00 0.70 C ATOM 731 CD LYS A 47 2.001 -2.841 10.872 1.00 0.88 C ATOM 732 CE LYS A 47 1.076 -2.563 9.701 1.00 1.14 C ATOM 733 NZ LYS A 47 -0.066 -3.514 9.664 1.00 1.53 N1+ ATOM 0 H LYS A 47 5.531 -3.173 9.899 1.00 0.46 H new ATOM 0 HA LYS A 47 5.742 -0.894 11.518 1.00 0.56 H new ATOM 0 HB2 LYS A 47 4.244 -3.523 11.940 1.00 0.61 H new ATOM 0 HB3 LYS A 47 3.924 -2.042 12.820 1.00 0.61 H new ATOM 0 HG2 LYS A 47 3.029 -0.956 10.905 1.00 0.70 H new ATOM 0 HG3 LYS A 47 3.722 -2.130 9.803 1.00 0.70 H new ATOM 0 HD2 LYS A 47 2.257 -3.900 10.891 1.00 0.88 H new ATOM 0 HD3 LYS A 47 1.483 -2.622 11.806 1.00 0.88 H new ATOM 0 HE2 LYS A 47 0.698 -1.543 9.770 1.00 1.14 H new ATOM 0 HE3 LYS A 47 1.638 -2.632 8.769 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -0.475 -3.528 8.708 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 0.268 -4.467 9.912 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -0.791 -3.213 10.346 1.00 1.53 H new ATOM 747 N LYS A 48 7.225 -3.538 12.680 1.00 0.55 N ATOM 748 CA LYS A 48 8.052 -4.058 13.760 1.00 0.62 C ATOM 749 C LYS A 48 9.433 -3.409 13.764 1.00 0.61 C ATOM 750 O LYS A 48 10.189 -3.563 14.723 1.00 0.77 O ATOM 751 CB LYS A 48 8.188 -5.583 13.645 1.00 0.71 C ATOM 752 CG LYS A 48 6.852 -6.306 13.611 1.00 0.83 C ATOM 753 CD LYS A 48 7.027 -7.810 13.752 1.00 0.98 C ATOM 754 CE LYS A 48 7.511 -8.449 12.456 1.00 1.52 C ATOM 755 NZ LYS A 48 7.684 -9.919 12.587 1.00 2.02 N1+ ATOM 0 H LYS A 48 7.214 -4.117 11.840 1.00 0.55 H new ATOM 0 HA LYS A 48 7.560 -3.814 14.701 1.00 0.62 H new ATOM 0 HB2 LYS A 48 8.746 -5.824 12.740 1.00 0.71 H new ATOM 0 HB3 LYS A 48 8.772 -5.953 14.488 1.00 0.71 H new ATOM 0 HG2 LYS A 48 6.217 -5.936 14.416 1.00 0.83 H new ATOM 0 HG3 LYS A 48 6.341 -6.085 12.674 1.00 0.83 H new ATOM 0 HD2 LYS A 48 7.741 -8.019 14.549 1.00 0.98 H new ATOM 0 HD3 LYS A 48 6.079 -8.260 14.047 1.00 0.98 H new ATOM 0 HE2 LYS A 48 6.797 -8.238 11.660 1.00 1.52 H new ATOM 0 HE3 LYS A 48 8.459 -7.998 12.162 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 8.014 -10.312 11.682 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 8.385 -10.121 13.329 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 6.775 -10.354 12.842 1.00 2.02 H new ATOM 769 N LYS A 49 9.760 -2.683 12.698 1.00 0.53 N ATOM 770 CA LYS A 49 11.061 -2.036 12.598 1.00 0.54 C ATOM 771 C LYS A 49 10.945 -0.516 12.661 1.00 0.52 C ATOM 772 O LYS A 49 11.921 0.174 12.967 1.00 0.64 O ATOM 773 CB LYS A 49 11.769 -2.458 11.308 1.00 0.58 C ATOM 774 CG LYS A 49 12.662 -3.674 11.484 1.00 0.78 C ATOM 775 CD LYS A 49 13.496 -3.950 10.246 1.00 0.87 C ATOM 776 CE LYS A 49 14.512 -5.058 10.490 1.00 1.19 C ATOM 777 NZ LYS A 49 15.700 -4.570 11.244 1.00 1.44 N1+ ATOM 0 H LYS A 49 9.146 -2.530 11.898 1.00 0.53 H new ATOM 0 HA LYS A 49 11.653 -2.359 13.454 1.00 0.54 H new ATOM 0 HB2 LYS A 49 11.021 -2.672 10.545 1.00 0.58 H new ATOM 0 HB3 LYS A 49 12.369 -1.625 10.942 1.00 0.58 H new ATOM 0 HG2 LYS A 49 13.321 -3.519 12.338 1.00 0.78 H new ATOM 0 HG3 LYS A 49 12.048 -4.546 11.709 1.00 0.78 H new ATOM 0 HD2 LYS A 49 12.841 -4.231 9.421 1.00 0.87 H new ATOM 0 HD3 LYS A 49 14.015 -3.040 9.946 1.00 0.87 H new ATOM 0 HE2 LYS A 49 14.039 -5.868 11.044 1.00 1.19 H new ATOM 0 HE3 LYS A 49 14.834 -5.471 9.534 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 16.342 -5.366 11.433 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 16.197 -3.850 10.681 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 15.392 -4.153 12.145 1.00 1.44 H new ATOM 791 N LEU A 50 9.763 0.004 12.367 1.00 0.53 N ATOM 792 CA LEU A 50 9.541 1.444 12.394 1.00 0.54 C ATOM 793 C LEU A 50 9.452 1.966 13.825 1.00 0.54 C ATOM 794 O LEU A 50 8.762 1.386 14.664 1.00 0.59 O ATOM 795 CB LEU A 50 8.261 1.812 11.641 1.00 0.60 C ATOM 796 CG LEU A 50 8.299 1.593 10.132 1.00 0.64 C ATOM 797 CD1 LEU A 50 6.956 1.952 9.523 1.00 1.00 C ATOM 798 CD2 LEU A 50 9.412 2.418 9.501 1.00 0.91 C ATOM 0 H LEU A 50 8.944 -0.546 12.108 1.00 0.53 H new ATOM 0 HA LEU A 50 10.395 1.910 11.903 1.00 0.54 H new ATOM 0 HB2 LEU A 50 7.437 1.230 12.054 1.00 0.60 H new ATOM 0 HB3 LEU A 50 8.037 2.861 11.832 1.00 0.60 H new ATOM 0 HG LEU A 50 8.503 0.541 9.934 1.00 0.64 H new ATOM 0 HD11 LEU A 50 6.991 1.793 8.445 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.179 1.323 9.958 1.00 1.00 H new ATOM 0 HD13 LEU A 50 6.732 2.999 9.728 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.424 2.249 8.424 1.00 0.91 H new ATOM 0 HD22 LEU A 50 9.239 3.475 9.701 1.00 0.91 H new ATOM 0 HD23 LEU A 50 10.371 2.121 9.926 1.00 0.91 H new ATOM 810 N PRO A 51 10.167 3.059 14.127 1.00 0.57 N ATOM 811 CA PRO A 51 10.144 3.666 15.458 1.00 0.64 C ATOM 812 C PRO A 51 8.821 4.386 15.738 1.00 0.63 C ATOM 813 O PRO A 51 7.958 4.499 14.859 1.00 0.66 O ATOM 814 CB PRO A 51 11.307 4.658 15.420 1.00 0.73 C ATOM 815 CG PRO A 51 11.493 4.991 13.981 1.00 0.74 C ATOM 816 CD PRO A 51 11.070 3.774 13.201 1.00 0.61 C ATOM 0 HA PRO A 51 10.236 2.924 16.251 1.00 0.64 H new ATOM 0 HB2 PRO A 51 11.082 5.550 16.004 1.00 0.73 H new ATOM 0 HB3 PRO A 51 12.211 4.220 15.842 1.00 0.73 H new ATOM 0 HG2 PRO A 51 10.893 5.858 13.703 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.533 5.243 13.773 1.00 0.74 H new ATOM 0 HD2 PRO A 51 10.561 4.048 12.277 1.00 0.61 H new ATOM 0 HD3 PRO A 51 11.926 3.159 12.923 1.00 0.61 H new ATOM 824 N GLU A 52 8.667 4.869 16.962 1.00 0.71 N ATOM 825 CA GLU A 52 7.456 5.575 17.369 1.00 0.76 C ATOM 826 C GLU A 52 7.321 6.904 16.635 1.00 0.75 C ATOM 827 O GLU A 52 8.316 7.560 16.329 1.00 0.82 O ATOM 828 CB GLU A 52 7.469 5.811 18.881 1.00 0.88 C ATOM 829 CG GLU A 52 8.742 6.466 19.388 1.00 1.52 C ATOM 830 CD GLU A 52 8.661 6.838 20.850 1.00 1.98 C ATOM 831 OE1 GLU A 52 8.892 5.959 21.707 1.00 2.38 O1- ATOM 832 OE2 GLU A 52 8.386 8.018 21.154 1.00 2.63 O ATOM 0 H GLU A 52 9.369 4.785 17.697 1.00 0.71 H new ATOM 0 HA GLU A 52 6.599 4.954 17.109 1.00 0.76 H new ATOM 0 HB2 GLU A 52 6.618 6.437 19.149 1.00 0.88 H new ATOM 0 HB3 GLU A 52 7.335 4.856 19.390 1.00 0.88 H new ATOM 0 HG2 GLU A 52 9.581 5.787 19.235 1.00 1.52 H new ATOM 0 HG3 GLU A 52 8.945 7.361 18.800 1.00 1.52 H new ATOM 839 N GLY A 53 6.086 7.278 16.325 1.00 0.76 N ATOM 840 CA GLY A 53 5.831 8.528 15.634 1.00 0.77 C ATOM 841 C GLY A 53 5.742 8.354 14.132 1.00 0.72 C ATOM 842 O GLY A 53 5.179 9.197 13.434 1.00 0.82 O ATOM 0 H GLY A 53 5.251 6.734 16.542 1.00 0.76 H new ATOM 0 HA2 GLY A 53 4.900 8.959 16.002 1.00 0.77 H new ATOM 0 HA3 GLY A 53 6.625 9.237 15.868 1.00 0.77 H new ATOM 846 N VAL A 54 6.299 7.265 13.636 1.00 0.69 N ATOM 847 CA VAL A 54 6.283 6.990 12.212 1.00 0.65 C ATOM 848 C VAL A 54 4.948 6.384 11.798 1.00 0.65 C ATOM 849 O VAL A 54 4.601 5.278 12.212 1.00 0.74 O ATOM 850 CB VAL A 54 7.425 6.039 11.807 1.00 0.64 C ATOM 851 CG1 VAL A 54 7.428 5.820 10.301 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.764 6.583 12.279 1.00 1.03 C ATOM 0 H VAL A 54 6.769 6.556 14.199 1.00 0.69 H new ATOM 0 HA VAL A 54 6.426 7.940 11.697 1.00 0.65 H new ATOM 0 HB VAL A 54 7.261 5.075 12.289 1.00 0.64 H new ATOM 0 HG11 VAL A 54 8.241 5.146 10.033 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.478 5.382 9.995 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.567 6.775 9.795 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.559 5.898 11.984 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.940 7.559 11.827 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.754 6.682 13.364 1.00 1.03 H new ATOM 862 N LYS A 55 4.196 7.125 11.001 1.00 0.64 N ATOM 863 CA LYS A 55 2.906 6.663 10.525 1.00 0.66 C ATOM 864 C LYS A 55 3.049 6.085 9.122 1.00 0.58 C ATOM 865 O LYS A 55 3.937 6.486 8.365 1.00 0.61 O ATOM 866 CB LYS A 55 1.896 7.813 10.523 1.00 0.76 C ATOM 867 CG LYS A 55 0.529 7.435 11.076 1.00 1.35 C ATOM 868 CD LYS A 55 -0.466 8.576 10.927 1.00 1.43 C ATOM 869 CE LYS A 55 -1.786 8.264 11.618 1.00 2.21 C ATOM 870 NZ LYS A 55 -1.645 8.218 13.097 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.460 8.053 10.670 1.00 0.64 H new ATOM 0 HA LYS A 55 2.541 5.884 11.195 1.00 0.66 H new ATOM 0 HB2 LYS A 55 2.299 8.638 11.110 1.00 0.76 H new ATOM 0 HB3 LYS A 55 1.776 8.176 9.502 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.155 6.554 10.554 1.00 1.35 H new ATOM 0 HG3 LYS A 55 0.622 7.167 12.128 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.041 9.487 11.348 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -0.645 8.767 9.869 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -2.524 9.020 11.348 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -2.165 7.307 11.260 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -2.588 8.206 13.535 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -1.126 7.359 13.370 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -1.122 9.056 13.422 1.00 2.51 H new ATOM 884 N MET A 56 2.182 5.144 8.780 1.00 0.55 N ATOM 885 CA MET A 56 2.217 4.515 7.467 1.00 0.50 C ATOM 886 C MET A 56 1.034 4.975 6.628 1.00 0.47 C ATOM 887 O MET A 56 -0.044 5.241 7.158 1.00 0.59 O ATOM 888 CB MET A 56 2.191 2.991 7.604 1.00 0.57 C ATOM 889 CG MET A 56 3.454 2.405 8.215 1.00 0.85 C ATOM 890 SD MET A 56 3.413 0.605 8.297 1.00 1.09 S ATOM 891 CE MET A 56 3.684 0.186 6.577 1.00 1.28 C ATOM 0 H MET A 56 1.444 4.798 9.394 1.00 0.55 H new ATOM 0 HA MET A 56 3.141 4.810 6.970 1.00 0.50 H new ATOM 0 HB2 MET A 56 1.336 2.706 8.218 1.00 0.57 H new ATOM 0 HB3 MET A 56 2.037 2.550 6.619 1.00 0.57 H new ATOM 0 HG2 MET A 56 4.317 2.719 7.627 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.588 2.808 9.219 1.00 0.85 H new ATOM 0 HE1 MET A 56 2.851 -0.415 6.213 1.00 1.28 H new ATOM 0 HE2 MET A 56 3.757 1.100 5.987 1.00 1.28 H new ATOM 0 HE3 MET A 56 4.609 -0.382 6.482 1.00 1.28 H new ATOM 901 N THR A 57 1.243 5.092 5.328 1.00 0.42 N ATOM 902 CA THR A 57 0.190 5.511 4.425 1.00 0.43 C ATOM 903 C THR A 57 0.170 4.628 3.182 1.00 0.41 C ATOM 904 O THR A 57 1.089 4.667 2.367 1.00 0.47 O ATOM 905 CB THR A 57 0.365 6.986 4.013 1.00 0.48 C ATOM 906 OG1 THR A 57 0.659 7.782 5.171 1.00 0.60 O ATOM 907 CG2 THR A 57 -0.892 7.519 3.346 1.00 0.61 C ATOM 0 H THR A 57 2.137 4.901 4.875 1.00 0.42 H new ATOM 0 HA THR A 57 -0.759 5.409 4.952 1.00 0.43 H new ATOM 0 HB THR A 57 1.189 7.044 3.302 1.00 0.48 H new ATOM 0 HG1 THR A 57 0.771 8.718 4.904 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.741 8.561 3.066 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.108 6.931 2.454 1.00 0.61 H new ATOM 0 HG23 THR A 57 -1.730 7.448 4.039 1.00 0.61 H new ATOM 915 N LYS A 58 -0.873 3.819 3.064 1.00 0.39 N ATOM 916 CA LYS A 58 -1.026 2.919 1.928 1.00 0.39 C ATOM 917 C LYS A 58 -2.123 3.442 1.000 1.00 0.37 C ATOM 918 O LYS A 58 -3.258 3.645 1.429 1.00 0.43 O ATOM 919 CB LYS A 58 -1.364 1.503 2.420 1.00 0.47 C ATOM 920 CG LYS A 58 -1.049 0.407 1.412 1.00 0.77 C ATOM 921 CD LYS A 58 -1.534 -0.957 1.889 1.00 0.84 C ATOM 922 CE LYS A 58 -0.594 -1.574 2.917 1.00 0.86 C ATOM 923 NZ LYS A 58 0.043 -2.815 2.408 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.631 3.767 3.745 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.089 2.876 1.373 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -0.812 1.307 3.339 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.424 1.459 2.670 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -1.517 0.646 0.457 1.00 0.77 H new ATOM 0 HG3 LYS A 58 0.027 0.370 1.239 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -2.529 -0.856 2.323 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -1.626 -1.627 1.034 1.00 0.84 H new ATOM 0 HE2 LYS A 58 0.178 -0.852 3.183 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -1.149 -1.798 3.828 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 0.738 -3.158 3.102 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 -0.685 -3.543 2.258 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 0.523 -2.615 1.507 1.00 0.70 H new ATOM 937 N TYR A 59 -1.779 3.677 -0.256 1.00 0.36 N ATOM 938 CA TYR A 59 -2.732 4.193 -1.228 1.00 0.39 C ATOM 939 C TYR A 59 -3.058 3.143 -2.284 1.00 0.37 C ATOM 940 O TYR A 59 -2.298 2.194 -2.490 1.00 0.36 O ATOM 941 CB TYR A 59 -2.174 5.439 -1.920 1.00 0.45 C ATOM 942 CG TYR A 59 -2.176 6.698 -1.076 1.00 0.48 C ATOM 943 CD1 TYR A 59 -3.148 6.924 -0.105 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.215 7.680 -1.277 1.00 0.52 C ATOM 945 CE1 TYR A 59 -3.154 8.091 0.639 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.211 8.843 -0.534 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.183 9.047 0.420 1.00 0.62 C ATOM 948 OH TYR A 59 -2.184 10.210 1.158 1.00 0.71 O ATOM 0 H TYR A 59 -0.843 3.518 -0.628 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.643 4.452 -0.688 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -1.151 5.233 -2.235 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.755 5.625 -2.823 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -3.909 6.178 0.070 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -0.455 7.531 -2.030 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -3.915 8.253 1.388 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -0.449 9.590 -0.700 1.00 0.60 H new ATOM 0 HH TYR A 59 -1.433 10.775 0.880 1.00 0.71 H new ATOM 958 N HIS A 60 -4.192 3.317 -2.950 1.00 0.39 N ATOM 959 CA HIS A 60 -4.620 2.403 -3.999 1.00 0.40 C ATOM 960 C HIS A 60 -4.400 3.043 -5.366 1.00 0.42 C ATOM 961 O HIS A 60 -4.732 4.207 -5.569 1.00 0.46 O ATOM 962 CB HIS A 60 -6.100 2.042 -3.823 1.00 0.44 C ATOM 963 CG HIS A 60 -6.580 0.992 -4.780 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.346 1.269 -5.889 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.374 -0.342 -4.799 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.589 0.155 -6.546 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.007 -0.849 -5.910 1.00 0.57 N ATOM 0 H HIS A 60 -4.836 4.089 -2.780 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.028 1.490 -3.931 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.261 1.693 -2.803 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.702 2.941 -3.951 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.675 2.196 -6.160 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -5.813 -0.910 -4.072 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.168 0.074 -7.454 1.00 0.51 H new ATOM 976 N VAL A 61 -3.842 2.279 -6.296 1.00 0.44 N ATOM 977 CA VAL A 61 -3.582 2.776 -7.643 1.00 0.48 C ATOM 978 C VAL A 61 -4.801 2.577 -8.546 1.00 0.49 C ATOM 979 O VAL A 61 -5.572 1.635 -8.354 1.00 0.51 O ATOM 980 CB VAL A 61 -2.358 2.074 -8.261 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.169 2.178 -7.323 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.656 0.616 -8.583 1.00 0.55 C ATOM 0 H VAL A 61 -3.560 1.311 -6.143 1.00 0.44 H new ATOM 0 HA VAL A 61 -3.374 3.843 -7.564 1.00 0.48 H new ATOM 0 HB VAL A 61 -2.118 2.577 -9.198 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.309 1.679 -7.769 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.931 3.228 -7.152 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.412 1.702 -6.373 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -1.771 0.151 -9.017 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -2.930 0.090 -7.668 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.480 0.562 -9.294 1.00 0.55 H new ATOM 992 N ASN A 62 -4.971 3.456 -9.535 1.00 0.54 N ATOM 993 CA ASN A 62 -6.110 3.368 -10.451 1.00 0.57 C ATOM 994 C ASN A 62 -5.739 2.708 -11.778 1.00 0.58 C ATOM 995 O ASN A 62 -6.580 2.587 -12.670 1.00 0.76 O ATOM 996 CB ASN A 62 -6.694 4.755 -10.727 1.00 0.67 C ATOM 997 CG ASN A 62 -7.909 5.049 -9.878 1.00 0.69 C ATOM 998 OD1 ASN A 62 -8.526 4.146 -9.323 1.00 0.77 O ATOM 999 ND2 ASN A 62 -8.268 6.317 -9.784 1.00 0.93 N ATOM 0 H ASN A 62 -4.338 4.234 -9.722 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.855 2.744 -9.957 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.932 5.511 -10.539 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -6.964 4.829 -11.780 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -9.087 6.576 -9.233 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.726 7.037 -10.262 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.487 2.286 -11.924 1.00 0.54 N ATOM 1007 CA PHE A 63 -4.050 1.647 -13.168 1.00 0.55 C ATOM 1008 C PHE A 63 -4.062 0.129 -13.044 1.00 0.54 C ATOM 1009 O PHE A 63 -3.517 -0.583 -13.888 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.657 2.143 -13.601 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.578 2.004 -12.560 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.956 0.785 -12.340 1.00 0.62 C ATOM 1013 CD2 PHE A 63 -1.177 3.101 -11.814 1.00 0.65 C ATOM 1014 CE1 PHE A 63 0.041 0.661 -11.396 1.00 0.70 C ATOM 1015 CE2 PHE A 63 -0.180 2.984 -10.867 1.00 0.74 C ATOM 1016 CZ PHE A 63 0.431 1.763 -10.657 1.00 0.74 C ATOM 0 H PHE A 63 -3.764 2.371 -11.210 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.763 1.931 -13.942 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.354 1.594 -14.492 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.734 3.193 -13.884 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.256 -0.078 -12.915 1.00 0.62 H new ATOM 0 HD2 PHE A 63 -1.650 4.058 -11.976 1.00 0.65 H new ATOM 0 HE1 PHE A 63 0.517 -0.295 -11.234 1.00 0.70 H new ATOM 0 HE2 PHE A 63 0.122 3.846 -10.291 1.00 0.74 H new ATOM 0 HZ PHE A 63 1.212 1.669 -9.917 1.00 0.74 H new ATOM 1026 N MET A 64 -4.691 -0.367 -11.992 1.00 0.52 N ATOM 1027 CA MET A 64 -4.776 -1.802 -11.760 1.00 0.53 C ATOM 1028 C MET A 64 -6.168 -2.189 -11.287 1.00 0.55 C ATOM 1029 O MET A 64 -6.500 -2.038 -10.108 1.00 0.60 O ATOM 1030 CB MET A 64 -3.736 -2.262 -10.736 1.00 0.57 C ATOM 1031 CG MET A 64 -2.415 -2.686 -11.359 1.00 0.64 C ATOM 1032 SD MET A 64 -2.043 -4.429 -11.077 1.00 1.06 S ATOM 1033 CE MET A 64 -3.293 -5.222 -12.086 1.00 1.09 C ATOM 0 H MET A 64 -5.152 0.203 -11.283 1.00 0.52 H new ATOM 0 HA MET A 64 -4.571 -2.299 -12.708 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.552 -1.453 -10.029 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.144 -3.097 -10.166 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.445 -2.494 -12.431 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.611 -2.076 -10.948 1.00 0.64 H new ATOM 0 HE1 MET A 64 -3.188 -6.304 -12.012 1.00 1.09 H new ATOM 0 HE2 MET A 64 -4.283 -4.929 -11.736 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.170 -4.916 -13.125 1.00 1.09 H new ATOM 1043 N GLY A 65 -6.979 -2.688 -12.208 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.329 -3.086 -11.865 1.00 0.64 C ATOM 1045 C GLY A 65 -9.352 -2.564 -12.849 1.00 0.66 C ATOM 1046 O GLY A 65 -10.548 -2.846 -12.722 1.00 0.78 O ATOM 0 H GLY A 65 -6.727 -2.825 -13.187 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.386 -4.174 -11.829 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.570 -2.721 -10.867 1.00 0.64 H new ATOM 1050 N GLY A 66 -8.884 -1.789 -13.821 1.00 0.65 N ATOM 1051 CA GLY A 66 -9.764 -1.235 -14.828 1.00 0.71 C ATOM 1052 C GLY A 66 -10.688 -0.187 -14.261 1.00 0.75 C ATOM 1053 O GLY A 66 -10.282 0.622 -13.425 1.00 0.81 O ATOM 0 H GLY A 66 -7.902 -1.534 -13.928 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.168 -0.797 -15.628 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.355 -2.036 -15.273 1.00 0.71 H new ATOM 1057 N ASP A 67 -11.938 -0.219 -14.694 1.00 0.84 N ATOM 1058 CA ASP A 67 -12.933 0.745 -14.236 1.00 0.96 C ATOM 1059 C ASP A 67 -13.317 0.490 -12.787 1.00 0.91 C ATOM 1060 O ASP A 67 -13.519 1.425 -12.014 1.00 0.93 O ATOM 1061 CB ASP A 67 -14.181 0.704 -15.117 1.00 1.19 C ATOM 1062 CG ASP A 67 -14.200 1.809 -16.153 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -13.607 1.630 -17.241 1.00 2.47 O1- ATOM 1064 OD2 ASP A 67 -14.809 2.863 -15.890 1.00 2.46 O ATOM 0 H ASP A 67 -12.291 -0.903 -15.364 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.484 1.736 -14.308 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -14.234 -0.261 -15.620 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -15.068 0.785 -14.488 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.397 -0.783 -12.417 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.759 -1.162 -11.058 1.00 0.89 C ATOM 1071 C LEU A 68 -12.627 -0.821 -10.091 1.00 0.79 C ATOM 1072 O LEU A 68 -12.844 -0.671 -8.886 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.091 -2.656 -10.985 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.706 -3.120 -9.663 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -15.973 -2.339 -9.360 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.999 -4.609 -9.716 1.00 1.07 C ATOM 0 H LEU A 68 -13.216 -1.570 -13.040 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.646 -0.598 -10.769 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -14.780 -2.899 -11.794 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.178 -3.224 -11.163 1.00 0.96 H new ATOM 0 HG LEU A 68 -13.990 -2.933 -8.862 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.396 -2.683 -8.416 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -15.737 -1.277 -9.286 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.697 -2.495 -10.160 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.436 -4.928 -8.770 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.699 -4.814 -10.526 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -14.072 -5.156 -9.890 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.418 -0.698 -10.627 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.282 -0.353 -9.803 1.00 0.65 C ATOM 1090 C GLY A 69 -10.436 1.032 -9.214 1.00 0.64 C ATOM 1091 O GLY A 69 -10.003 1.295 -8.093 1.00 0.63 O ATOM 0 H GLY A 69 -11.208 -0.831 -11.616 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.176 -1.083 -9.000 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.370 -0.399 -10.398 1.00 0.65 H new ATOM 1095 N LYS A 70 -11.089 1.908 -9.967 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.323 3.277 -9.533 1.00 0.71 C ATOM 1097 C LYS A 70 -12.268 3.312 -8.338 1.00 0.73 C ATOM 1098 O LYS A 70 -12.095 4.119 -7.421 1.00 0.74 O ATOM 1099 CB LYS A 70 -11.898 4.105 -10.686 1.00 0.79 C ATOM 1100 CG LYS A 70 -10.976 4.207 -11.891 1.00 0.89 C ATOM 1101 CD LYS A 70 -11.757 4.537 -13.149 1.00 1.35 C ATOM 1102 CE LYS A 70 -10.841 4.791 -14.334 1.00 1.83 C ATOM 1103 NZ LYS A 70 -10.331 6.189 -14.352 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.468 1.691 -10.889 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.369 3.708 -9.228 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.844 3.664 -11.001 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -12.119 5.109 -10.324 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -10.224 4.976 -11.714 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -10.443 3.266 -12.026 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -12.433 3.715 -13.383 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -12.375 5.417 -12.972 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -10.000 4.098 -14.298 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -11.380 4.589 -15.259 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -9.710 6.321 -15.176 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -11.132 6.850 -14.412 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -9.794 6.374 -13.481 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.253 2.422 -8.339 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.224 2.356 -7.254 1.00 0.81 C ATOM 1119 C ASP A 71 -13.549 1.903 -5.969 1.00 0.75 C ATOM 1120 O ASP A 71 -13.831 2.418 -4.885 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.371 1.406 -7.607 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.358 2.025 -8.576 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -16.944 3.081 -8.244 1.00 1.58 O ATOM 1124 OD2 ASP A 71 -16.550 1.469 -9.675 1.00 1.65 O1- ATOM 0 H ASP A 71 -13.400 1.736 -9.079 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.636 3.354 -7.105 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -14.963 0.494 -8.042 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -15.894 1.118 -6.695 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.628 0.957 -6.099 1.00 0.70 N ATOM 1130 CA LEU A 72 -11.905 0.442 -4.940 1.00 0.67 C ATOM 1131 C LEU A 72 -11.019 1.529 -4.343 1.00 0.61 C ATOM 1132 O LEU A 72 -10.747 1.525 -3.145 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.070 -0.785 -5.309 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.634 -2.124 -4.821 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -10.756 -3.274 -5.287 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.779 -2.132 -3.302 1.00 1.17 C ATOM 0 H LEU A 72 -12.364 0.532 -6.988 1.00 0.70 H new ATOM 0 HA LEU A 72 -12.638 0.136 -4.194 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -10.969 -0.824 -6.394 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.067 -0.660 -4.900 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.626 -2.254 -5.253 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.172 -4.217 -4.931 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -10.716 -3.283 -6.376 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -9.749 -3.148 -4.888 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -12.181 -3.093 -2.980 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.803 -1.975 -2.843 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.457 -1.335 -2.997 1.00 1.17 H new ATOM 1148 N THR A 73 -10.567 2.456 -5.181 1.00 0.60 N ATOM 1149 CA THR A 73 -9.741 3.561 -4.714 1.00 0.57 C ATOM 1150 C THR A 73 -10.569 4.485 -3.826 1.00 0.62 C ATOM 1151 O THR A 73 -10.083 5.009 -2.820 1.00 0.62 O ATOM 1152 CB THR A 73 -9.154 4.358 -5.900 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.438 3.476 -6.769 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.221 5.464 -5.423 1.00 0.56 C ATOM 0 H THR A 73 -10.758 2.464 -6.183 1.00 0.60 H new ATOM 0 HA THR A 73 -8.912 3.149 -4.139 1.00 0.57 H new ATOM 0 HB THR A 73 -9.984 4.818 -6.436 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.452 3.833 -7.682 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.827 6.004 -6.284 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.772 6.154 -4.783 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.396 5.027 -4.860 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.835 4.654 -4.189 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.742 5.496 -3.431 1.00 0.73 C ATOM 1164 C GLN A 74 -13.135 4.790 -2.135 1.00 0.72 C ATOM 1165 O GLN A 74 -13.181 5.403 -1.067 1.00 0.74 O ATOM 1166 CB GLN A 74 -13.984 5.819 -4.264 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.787 7.004 -3.750 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.689 7.598 -4.814 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.405 7.510 -6.009 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.785 8.214 -4.391 1.00 1.21 N ATOM 0 H GLN A 74 -12.255 4.215 -5.008 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.242 6.433 -3.185 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.677 6.020 -5.291 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.629 4.941 -4.290 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.392 6.688 -2.900 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.104 7.772 -3.387 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.987 8.267 -3.393 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.426 8.635 -5.064 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.392 3.487 -2.239 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.771 2.676 -1.086 1.00 0.70 C ATOM 1181 C ALA A 75 -12.640 2.623 -0.065 1.00 0.64 C ATOM 1182 O ALA A 75 -12.874 2.686 1.142 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.152 1.272 -1.525 1.00 0.71 C ATOM 0 H ALA A 75 -13.344 2.969 -3.116 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.637 3.141 -0.614 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.432 0.681 -0.653 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -14.995 1.322 -2.214 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.303 0.804 -2.023 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.411 2.514 -0.565 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.230 2.461 0.289 1.00 0.54 C ATOM 1191 C TRP A 76 -10.107 3.739 1.113 1.00 0.56 C ATOM 1192 O TRP A 76 -9.765 3.698 2.295 1.00 0.55 O ATOM 1193 CB TRP A 76 -8.971 2.250 -0.559 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.719 2.120 0.253 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.650 2.966 0.254 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.412 1.085 1.195 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.697 2.520 1.135 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.141 1.369 1.727 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.088 -0.054 1.641 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.535 0.555 2.679 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.486 -0.858 2.587 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.221 -0.551 3.098 1.00 0.46 C ATOM 0 H TRP A 76 -11.208 2.461 -1.563 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.336 1.619 0.973 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.097 1.353 -1.165 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.862 3.087 -1.248 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.565 3.857 -0.350 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.802 2.973 1.319 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.065 -0.301 1.252 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.557 0.789 3.073 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.001 -1.740 2.939 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -5.777 -1.200 3.838 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.402 4.870 0.483 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.342 6.155 1.161 1.00 0.65 C ATOM 1215 C ALA A 77 -11.360 6.200 2.298 1.00 0.69 C ATOM 1216 O ALA A 77 -11.104 6.779 3.355 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.588 7.281 0.175 1.00 0.70 C ATOM 0 H ALA A 77 -10.685 4.921 -0.496 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.347 6.283 1.586 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.540 8.237 0.696 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.827 7.254 -0.605 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.574 7.162 -0.275 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.508 5.568 2.076 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.562 5.506 3.078 1.00 0.75 C ATOM 1225 C VAL A 78 -13.084 4.716 4.287 1.00 0.71 C ATOM 1226 O VAL A 78 -13.244 5.148 5.429 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.842 4.845 2.515 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.906 4.723 3.590 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.379 5.634 1.330 1.00 0.84 C ATOM 0 H VAL A 78 -12.731 5.089 1.204 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.800 6.529 3.370 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.580 3.843 2.175 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.796 4.255 3.169 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.527 4.111 4.409 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -16.160 5.715 3.965 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.279 5.152 0.950 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.618 6.649 1.647 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.625 5.667 0.543 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.467 3.568 4.023 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.954 2.705 5.081 1.00 0.63 C ATOM 1241 C ALA A 79 -10.908 3.426 5.926 1.00 0.63 C ATOM 1242 O ALA A 79 -10.869 3.260 7.149 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.364 1.430 4.493 1.00 0.59 C ATOM 0 H ALA A 79 -12.310 3.213 3.080 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.791 2.442 5.728 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.986 0.799 5.298 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -12.136 0.892 3.942 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.547 1.685 3.818 1.00 0.59 H new ATOM 1249 N MET A 80 -10.068 4.223 5.266 1.00 0.63 N ATOM 1250 CA MET A 80 -9.020 4.975 5.953 1.00 0.66 C ATOM 1251 C MET A 80 -9.622 6.060 6.837 1.00 0.73 C ATOM 1252 O MET A 80 -9.149 6.300 7.949 1.00 0.79 O ATOM 1253 CB MET A 80 -8.051 5.614 4.946 1.00 0.65 C ATOM 1254 CG MET A 80 -7.057 4.633 4.339 1.00 1.08 C ATOM 1255 SD MET A 80 -5.766 5.441 3.367 1.00 1.04 S ATOM 1256 CE MET A 80 -6.745 6.166 2.054 1.00 1.02 C ATOM 0 H MET A 80 -10.093 4.364 4.256 1.00 0.63 H new ATOM 0 HA MET A 80 -8.468 4.272 6.577 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.628 6.075 4.144 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.501 6.413 5.443 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.593 4.054 5.138 1.00 1.08 H new ATOM 0 HG3 MET A 80 -7.593 3.928 3.704 1.00 1.08 H new ATOM 0 HE1 MET A 80 -6.083 6.580 1.293 1.00 1.02 H new ATOM 0 HE2 MET A 80 -7.378 5.400 1.607 1.00 1.02 H new ATOM 0 HE3 MET A 80 -7.370 6.960 2.462 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.669 6.706 6.340 1.00 0.76 N ATOM 1267 CA ALA A 81 -11.339 7.767 7.083 1.00 0.84 C ATOM 1268 C ALA A 81 -12.092 7.212 8.287 1.00 0.87 C ATOM 1269 O ALA A 81 -12.321 7.919 9.269 1.00 0.99 O ATOM 1270 CB ALA A 81 -12.292 8.530 6.177 1.00 0.89 C ATOM 0 H ALA A 81 -11.074 6.514 5.424 1.00 0.76 H new ATOM 0 HA ALA A 81 -10.573 8.450 7.449 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.784 9.318 6.747 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.734 8.973 5.352 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -13.043 7.847 5.781 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.477 5.947 8.202 1.00 0.80 N ATOM 1277 CA LEU A 82 -13.205 5.294 9.282 1.00 0.82 C ATOM 1278 C LEU A 82 -12.244 4.656 10.282 1.00 0.81 C ATOM 1279 O LEU A 82 -12.393 4.819 11.495 1.00 0.88 O ATOM 1280 CB LEU A 82 -14.146 4.226 8.728 1.00 0.82 C ATOM 1281 CG LEU A 82 -15.259 4.743 7.818 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -16.077 3.585 7.277 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -16.149 5.721 8.565 1.00 0.97 C ATOM 0 H LEU A 82 -12.297 5.350 7.394 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.791 6.057 9.794 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.555 3.497 8.173 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.601 3.697 9.565 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.804 5.268 6.979 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.866 3.968 6.630 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.431 2.919 6.705 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.522 3.035 8.106 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -16.936 6.078 7.900 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.598 5.222 9.423 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -15.553 6.566 8.908 1.00 0.97 H new ATOM 1295 N GLY A 83 -11.258 3.933 9.762 1.00 0.75 N ATOM 1296 CA GLY A 83 -10.288 3.270 10.610 1.00 0.74 C ATOM 1297 C GLY A 83 -10.554 1.782 10.715 1.00 0.72 C ATOM 1298 O GLY A 83 -10.480 1.207 11.804 1.00 0.78 O ATOM 0 H GLY A 83 -11.114 3.795 8.762 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -9.286 3.433 10.212 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -10.312 3.714 11.605 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.892 1.173 9.587 1.00 0.67 N ATOM 1303 CA VAL A 84 -11.172 -0.261 9.525 1.00 0.65 C ATOM 1304 C VAL A 84 -10.475 -0.883 8.317 1.00 0.59 C ATOM 1305 O VAL A 84 -10.910 -1.911 7.793 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.689 -0.544 9.428 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -13.392 -0.206 10.737 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -13.312 0.220 8.263 1.00 0.73 C ATOM 0 H VAL A 84 -10.980 1.653 8.691 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.794 -0.704 10.446 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.820 -1.610 9.242 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -14.458 -0.414 10.642 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.974 -0.812 11.541 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -13.248 0.850 10.965 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -14.379 0.004 8.216 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -13.164 1.290 8.409 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.838 -0.088 7.331 1.00 0.73 H new ATOM 1318 N GLU A 85 -9.377 -0.258 7.905 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.600 -0.693 6.745 1.00 0.55 C ATOM 1320 C GLU A 85 -8.156 -2.149 6.876 1.00 0.53 C ATOM 1321 O GLU A 85 -8.427 -2.972 6.005 1.00 0.56 O ATOM 1322 CB GLU A 85 -7.366 0.205 6.562 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.645 1.693 6.724 1.00 0.81 C ATOM 1324 CD GLU A 85 -7.360 2.197 8.129 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -7.932 1.642 9.090 1.00 1.71 O ATOM 1326 OE2 GLU A 85 -6.560 3.147 8.279 1.00 1.67 O1- ATOM 0 H GLU A 85 -8.998 0.568 8.367 1.00 0.58 H new ATOM 0 HA GLU A 85 -9.246 -0.611 5.871 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.605 -0.091 7.284 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -6.948 0.031 5.570 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -7.037 2.251 6.012 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.688 1.891 6.477 1.00 0.81 H new ATOM 1333 N ASP A 86 -7.503 -2.455 7.989 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.985 -3.802 8.253 1.00 0.62 C ATOM 1335 C ASP A 86 -8.104 -4.828 8.419 1.00 0.64 C ATOM 1336 O ASP A 86 -7.890 -6.031 8.266 1.00 0.87 O ATOM 1337 CB ASP A 86 -6.110 -3.777 9.512 1.00 0.74 C ATOM 1338 CG ASP A 86 -5.548 -5.141 9.877 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -4.761 -5.700 9.083 1.00 1.75 O1- ATOM 1340 OD2 ASP A 86 -5.866 -5.642 10.980 1.00 1.91 O ATOM 0 H ASP A 86 -7.315 -1.784 8.734 1.00 0.57 H new ATOM 0 HA ASP A 86 -6.392 -4.104 7.390 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -5.286 -3.080 9.360 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -6.698 -3.398 10.348 1.00 0.74 H new ATOM 1345 N LYS A 87 -9.304 -4.351 8.712 1.00 0.59 N ATOM 1346 CA LYS A 87 -10.443 -5.234 8.909 1.00 0.63 C ATOM 1347 C LYS A 87 -11.074 -5.655 7.585 1.00 0.60 C ATOM 1348 O LYS A 87 -11.743 -6.685 7.517 1.00 0.67 O ATOM 1349 CB LYS A 87 -11.495 -4.558 9.790 1.00 0.70 C ATOM 1350 CG LYS A 87 -11.012 -4.252 11.199 1.00 0.79 C ATOM 1351 CD LYS A 87 -10.875 -5.519 12.031 1.00 1.48 C ATOM 1352 CE LYS A 87 -10.222 -5.236 13.374 1.00 1.85 C ATOM 1353 NZ LYS A 87 -9.980 -6.483 14.150 1.00 2.28 N1+ ATOM 0 H LYS A 87 -9.514 -3.359 8.818 1.00 0.59 H new ATOM 0 HA LYS A 87 -10.074 -6.132 9.405 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.811 -3.629 9.315 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -12.373 -5.201 9.849 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -10.050 -3.741 11.152 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -11.711 -3.571 11.684 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -11.859 -5.960 12.190 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -10.282 -6.252 11.484 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -9.276 -4.718 13.215 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -10.858 -4.567 13.953 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -9.534 -6.245 15.059 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -10.885 -6.965 14.324 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -9.352 -7.112 13.610 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.858 -4.875 6.530 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.454 -5.190 5.232 1.00 0.55 C ATOM 1369 C VAL A 88 -10.423 -5.618 4.181 1.00 0.50 C ATOM 1370 O VAL A 88 -10.797 -6.052 3.094 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.261 -3.995 4.676 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.384 -3.615 5.627 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.359 -2.799 4.415 1.00 0.56 C ATOM 0 H VAL A 88 -10.284 -4.032 6.544 1.00 0.56 H new ATOM 0 HA VAL A 88 -12.118 -6.034 5.420 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.700 -4.302 3.727 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.939 -2.772 5.216 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -14.056 -4.464 5.755 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.964 -3.336 6.593 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.954 -1.973 4.024 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.881 -2.494 5.346 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.595 -3.072 3.687 1.00 0.56 H new ATOM 1383 N THR A 89 -9.143 -5.523 4.508 1.00 0.48 N ATOM 1384 CA THR A 89 -8.084 -5.884 3.567 1.00 0.44 C ATOM 1385 C THR A 89 -8.184 -7.336 3.094 1.00 0.43 C ATOM 1386 O THR A 89 -8.279 -7.598 1.896 1.00 0.44 O ATOM 1387 CB THR A 89 -6.700 -5.646 4.189 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.831 -5.515 5.606 1.00 0.98 O ATOM 1389 CG2 THR A 89 -6.053 -4.398 3.616 1.00 0.79 C ATOM 0 H THR A 89 -8.809 -5.200 5.416 1.00 0.48 H new ATOM 0 HA THR A 89 -8.215 -5.241 2.697 1.00 0.44 H new ATOM 0 HB THR A 89 -6.063 -6.499 3.954 1.00 0.45 H new ATOM 0 HG1 THR A 89 -6.014 -5.837 6.041 1.00 0.98 H new ATOM 0 HG21 THR A 89 -5.074 -4.253 4.073 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.937 -4.511 2.538 1.00 0.79 H new ATOM 0 HG23 THR A 89 -6.683 -3.533 3.825 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.192 -8.270 4.039 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.257 -9.695 3.709 1.00 0.49 C ATOM 1399 C VAL A 90 -9.534 -10.047 2.928 1.00 0.50 C ATOM 1400 O VAL A 90 -9.442 -10.596 1.827 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.150 -10.599 4.961 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -7.764 -12.018 4.561 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.144 -10.031 5.959 1.00 0.57 C ATOM 0 H VAL A 90 -8.154 -8.070 5.038 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.392 -9.888 3.074 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.126 -10.628 5.445 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -7.693 -12.641 5.453 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -8.522 -12.426 3.893 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -6.801 -12.003 4.051 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.087 -10.684 6.830 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.163 -9.966 5.489 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.463 -9.037 6.271 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.744 -9.747 3.468 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.009 -10.045 2.783 1.00 0.57 C ATOM 1415 C PRO A 91 -12.088 -9.446 1.380 1.00 0.57 C ATOM 1416 O PRO A 91 -12.630 -10.073 0.470 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.085 -9.423 3.685 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.357 -8.552 4.644 1.00 0.58 C ATOM 1419 CD PRO A 91 -10.989 -9.147 4.792 1.00 0.54 C ATOM 0 HA PRO A 91 -12.126 -11.119 2.638 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.801 -8.846 3.099 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.650 -10.194 4.209 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.299 -7.529 4.274 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -12.871 -8.515 5.604 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.244 -8.390 5.036 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -10.957 -9.893 5.586 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.557 -8.239 1.196 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.588 -7.596 -0.116 1.00 0.55 C ATOM 1429 C LEU A 92 -10.612 -8.277 -1.065 1.00 0.54 C ATOM 1430 O LEU A 92 -10.933 -8.521 -2.227 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.262 -6.101 -0.015 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.357 -5.230 0.609 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.920 -3.774 0.652 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.654 -5.366 -0.168 1.00 0.79 C ATOM 0 H LEU A 92 -11.105 -7.692 1.929 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.600 -7.697 -0.509 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.350 -5.984 0.571 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -11.048 -5.725 -1.015 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.526 -5.573 1.630 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.710 -3.170 1.098 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -11.013 -3.684 1.250 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -11.723 -3.423 -0.361 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -14.420 -4.740 0.290 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -13.495 -5.049 -1.199 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.979 -6.406 -0.154 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.427 -8.598 -0.558 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.405 -9.266 -1.353 1.00 0.48 C ATOM 1448 C PHE A 93 -8.910 -10.610 -1.865 1.00 0.54 C ATOM 1449 O PHE A 93 -8.861 -10.898 -3.064 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.139 -9.477 -0.521 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.010 -8.562 -0.894 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.560 -8.495 -2.201 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.391 -7.777 0.066 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.517 -7.663 -2.547 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.346 -6.939 -0.273 1.00 0.43 C ATOM 1456 CZ PHE A 93 -3.908 -6.884 -1.583 1.00 0.41 C ATOM 0 H PHE A 93 -9.150 -8.405 0.405 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.173 -8.630 -2.207 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.379 -9.332 0.532 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.810 -10.510 -0.633 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.032 -9.102 -2.959 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.729 -7.821 1.091 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.176 -7.620 -3.571 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.873 -6.329 0.483 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.090 -6.232 -1.852 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.419 -11.426 -0.954 1.00 0.55 N ATOM 1467 CA GLU A 94 -9.928 -12.741 -1.308 1.00 0.62 C ATOM 1468 C GLU A 94 -11.231 -12.639 -2.098 1.00 0.66 C ATOM 1469 O GLU A 94 -11.476 -13.431 -3.004 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.139 -13.581 -0.050 1.00 0.66 C ATOM 1471 CG GLU A 94 -8.877 -13.768 0.780 1.00 0.66 C ATOM 1472 CD GLU A 94 -9.021 -14.884 1.790 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -9.649 -14.664 2.846 1.00 1.70 O ATOM 1474 OE2 GLU A 94 -8.517 -15.997 1.527 1.00 1.46 O1- ATOM 0 H GLU A 94 -9.490 -11.199 0.038 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.188 -13.227 -1.943 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -10.903 -13.109 0.568 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -10.522 -14.560 -0.338 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.038 -13.984 0.119 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -8.644 -12.838 1.299 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.046 -11.648 -1.771 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.311 -11.470 -2.454 1.00 0.71 C ATOM 1483 C GLY A 95 -13.150 -11.073 -3.910 1.00 0.73 C ATOM 1484 O GLY A 95 -14.050 -11.289 -4.717 1.00 0.82 O ATOM 0 H GLY A 95 -11.853 -10.961 -1.042 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -13.881 -12.397 -2.397 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -13.892 -10.706 -1.937 1.00 0.71 H new ATOM 1488 N VAL A 96 -12.006 -10.494 -4.249 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.742 -10.072 -5.615 1.00 0.67 C ATOM 1490 C VAL A 96 -10.930 -11.114 -6.381 1.00 0.69 C ATOM 1491 O VAL A 96 -11.261 -11.458 -7.512 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.989 -8.720 -5.646 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.487 -8.397 -7.048 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.881 -7.599 -5.142 1.00 0.65 C ATOM 0 H VAL A 96 -11.246 -10.306 -3.595 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.712 -9.957 -6.099 1.00 0.67 H new ATOM 0 HB VAL A 96 -10.125 -8.809 -4.987 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.963 -7.441 -7.036 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.806 -9.180 -7.380 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -11.333 -8.338 -7.733 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.333 -6.657 -5.172 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.765 -7.525 -5.775 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -12.186 -7.809 -4.117 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.876 -11.629 -5.757 1.00 0.66 N ATOM 1505 CA GLN A 97 -8.996 -12.592 -6.420 1.00 0.68 C ATOM 1506 C GLN A 97 -9.429 -14.046 -6.242 1.00 0.75 C ATOM 1507 O GLN A 97 -9.544 -14.787 -7.218 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.567 -12.429 -5.905 1.00 0.63 C ATOM 1509 CG GLN A 97 -6.919 -11.126 -6.325 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.524 -10.960 -5.764 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.786 -11.930 -5.582 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.160 -9.725 -5.480 1.00 0.55 N ATOM 0 H GLN A 97 -9.609 -11.400 -4.800 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.055 -12.372 -7.486 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.572 -12.489 -4.817 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -6.962 -13.260 -6.267 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -6.876 -11.080 -7.413 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.540 -10.293 -5.995 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.804 -8.952 -5.647 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.234 -9.542 -5.093 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.657 -14.457 -5.000 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.026 -15.842 -4.711 1.00 0.81 C ATOM 1523 C LYS A 98 -11.472 -16.154 -5.102 1.00 0.88 C ATOM 1524 O LYS A 98 -11.711 -16.917 -6.034 1.00 1.03 O ATOM 1525 CB LYS A 98 -9.803 -16.158 -3.228 1.00 0.76 C ATOM 1526 CG LYS A 98 -9.359 -17.589 -2.972 1.00 0.88 C ATOM 1527 CD LYS A 98 -9.035 -17.811 -1.503 1.00 1.03 C ATOM 1528 CE LYS A 98 -10.296 -17.976 -0.661 1.00 1.34 C ATOM 1529 NZ LYS A 98 -9.984 -18.096 0.791 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.594 -13.856 -4.179 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.380 -16.476 -5.318 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -9.052 -15.476 -2.829 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.727 -15.970 -2.682 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -10.146 -18.277 -3.281 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -8.482 -17.814 -3.578 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -8.410 -18.698 -1.399 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -8.456 -16.968 -1.128 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -10.954 -17.122 -0.821 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -10.839 -18.862 -0.990 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -10.793 -17.755 1.349 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -9.797 -19.092 1.025 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -9.144 -17.524 1.014 1.00 1.41 H new ATOM 1543 N THR A 99 -12.429 -15.572 -4.391 1.00 0.82 N ATOM 1544 CA THR A 99 -13.837 -15.817 -4.668 1.00 0.94 C ATOM 1545 C THR A 99 -14.296 -15.142 -5.958 1.00 0.98 C ATOM 1546 O THR A 99 -15.146 -15.678 -6.674 1.00 1.08 O ATOM 1547 CB THR A 99 -14.717 -15.331 -3.505 1.00 0.96 C ATOM 1548 OG1 THR A 99 -13.914 -15.104 -2.334 1.00 0.95 O ATOM 1549 CG2 THR A 99 -15.799 -16.348 -3.192 1.00 1.31 C ATOM 0 H THR A 99 -12.256 -14.928 -3.619 1.00 0.82 H new ATOM 0 HA THR A 99 -13.946 -16.895 -4.786 1.00 0.94 H new ATOM 0 HB THR A 99 -15.189 -14.395 -3.803 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.485 -14.793 -1.601 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.411 -15.986 -2.366 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.426 -16.494 -4.071 1.00 1.31 H new ATOM 0 HG23 THR A 99 -15.338 -17.296 -2.913 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.730 -13.967 -6.243 1.00 0.90 N ATOM 1558 CA GLN A 100 -14.076 -13.203 -7.443 1.00 0.94 C ATOM 1559 C GLN A 100 -15.555 -12.839 -7.443 1.00 1.01 C ATOM 1560 O GLN A 100 -16.201 -12.807 -8.490 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.738 -13.993 -8.709 1.00 1.01 C ATOM 1562 CG GLN A 100 -12.249 -14.136 -8.950 1.00 0.99 C ATOM 1563 CD GLN A 100 -11.927 -14.911 -10.214 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -12.697 -14.910 -11.175 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -10.781 -15.570 -10.222 1.00 1.44 N ATOM 0 H GLN A 100 -13.026 -13.522 -5.655 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.487 -12.286 -7.434 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -14.184 -14.985 -8.639 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -14.192 -13.499 -9.568 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.800 -13.145 -9.013 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -11.794 -14.638 -8.096 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -10.172 -15.544 -9.404 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -10.506 -16.104 -11.046 1.00 1.44 H new ATOM 1574 N THR A 101 -16.077 -12.566 -6.259 1.00 1.00 N ATOM 1575 CA THR A 101 -17.476 -12.217 -6.090 1.00 1.08 C ATOM 1576 C THR A 101 -17.721 -10.735 -6.350 1.00 1.03 C ATOM 1577 O THR A 101 -18.794 -10.348 -6.809 1.00 1.12 O ATOM 1578 CB THR A 101 -17.937 -12.563 -4.665 1.00 1.14 C ATOM 1579 OG1 THR A 101 -16.816 -13.075 -3.924 1.00 1.20 O ATOM 1580 CG2 THR A 101 -19.062 -13.592 -4.688 1.00 1.57 C ATOM 0 H THR A 101 -15.543 -12.580 -5.390 1.00 1.00 H new ATOM 0 HA THR A 101 -18.048 -12.793 -6.818 1.00 1.08 H new ATOM 0 HB THR A 101 -18.319 -11.661 -4.187 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.100 -13.297 -3.013 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.369 -13.819 -3.667 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.911 -13.191 -5.241 1.00 1.57 H new ATOM 0 HG23 THR A 101 -18.712 -14.504 -5.172 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.715 -9.917 -6.069 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.829 -8.476 -6.264 1.00 0.88 C ATOM 1590 C ILE A 102 -16.700 -8.113 -7.739 1.00 0.87 C ATOM 1591 O ILE A 102 -15.629 -8.247 -8.334 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.770 -7.711 -5.443 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.969 -7.984 -3.950 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.839 -6.214 -5.725 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.951 -7.301 -3.066 1.00 0.79 C ATOM 0 H ILE A 102 -15.813 -10.225 -5.706 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.818 -8.180 -5.913 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.782 -8.064 -5.739 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.967 -7.656 -3.660 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -15.924 -9.059 -3.777 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -15.083 -5.697 -5.134 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.657 -6.035 -6.785 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.827 -5.839 -5.458 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -15.156 -7.541 -2.023 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.951 -7.647 -3.328 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -15.011 -6.222 -3.209 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.806 -7.675 -8.328 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.830 -7.293 -9.734 1.00 0.95 C ATOM 1609 C ARG A 103 -18.257 -5.834 -9.868 1.00 0.96 C ATOM 1610 O ARG A 103 -18.176 -5.245 -10.945 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.783 -8.189 -10.545 1.00 1.07 C ATOM 1612 CG ARG A 103 -18.776 -9.660 -10.137 1.00 1.12 C ATOM 1613 CD ARG A 103 -17.386 -10.271 -10.215 1.00 1.44 C ATOM 1614 NE ARG A 103 -16.873 -10.342 -11.581 1.00 1.88 N ATOM 1615 CZ ARG A 103 -16.052 -11.296 -12.012 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -15.682 -12.277 -11.196 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -15.598 -11.271 -13.257 1.00 3.22 N ATOM 0 H ARG A 103 -18.702 -7.575 -7.851 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.824 -7.420 -10.133 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.797 -7.803 -10.444 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -18.518 -8.117 -11.600 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -19.156 -9.755 -9.120 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -19.453 -10.218 -10.784 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -16.701 -9.682 -9.605 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -17.411 -11.274 -9.789 1.00 1.44 H new ATOM 0 HE ARG A 103 -17.160 -9.620 -12.241 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -16.028 -12.300 -10.237 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -15.052 -13.007 -11.529 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -15.878 -10.519 -13.887 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -14.969 -12.004 -13.585 1.00 3.22 H new ATOM 1631 N SER A 104 -18.743 -5.268 -8.773 1.00 0.97 N ATOM 1632 CA SER A 104 -19.178 -3.879 -8.750 1.00 1.01 C ATOM 1633 C SER A 104 -19.003 -3.292 -7.354 1.00 0.98 C ATOM 1634 O SER A 104 -18.702 -4.017 -6.403 1.00 0.94 O ATOM 1635 CB SER A 104 -20.638 -3.778 -9.194 1.00 1.13 C ATOM 1636 OG SER A 104 -20.795 -4.286 -10.508 1.00 1.51 O ATOM 0 H SER A 104 -18.846 -5.754 -7.882 1.00 0.97 H new ATOM 0 HA SER A 104 -18.562 -3.306 -9.444 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.273 -4.335 -8.505 1.00 1.13 H new ATOM 0 HB3 SER A 104 -20.964 -2.738 -9.159 1.00 1.13 H new ATOM 0 HG SER A 104 -21.735 -4.215 -10.776 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.197 -1.979 -7.230 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.054 -1.296 -5.944 1.00 1.02 C ATOM 1644 C ALA A 105 -20.097 -1.788 -4.944 1.00 1.05 C ATOM 1645 O ALA A 105 -19.923 -1.665 -3.732 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.174 0.210 -6.121 1.00 1.08 C ATOM 0 H ALA A 105 -19.454 -1.367 -8.005 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.064 -1.527 -5.552 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -19.065 0.700 -5.153 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -18.393 0.560 -6.795 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.151 0.450 -6.541 1.00 1.08 H new ATOM 1652 N SER A 106 -21.184 -2.337 -5.470 1.00 1.12 N ATOM 1653 CA SER A 106 -22.263 -2.867 -4.654 1.00 1.17 C ATOM 1654 C SER A 106 -21.763 -3.977 -3.729 1.00 1.09 C ATOM 1655 O SER A 106 -22.123 -4.025 -2.547 1.00 1.09 O ATOM 1656 CB SER A 106 -23.354 -3.407 -5.568 1.00 1.28 C ATOM 1657 OG SER A 106 -23.179 -2.918 -6.889 1.00 1.43 O ATOM 0 H SER A 106 -21.340 -2.426 -6.474 1.00 1.12 H new ATOM 0 HA SER A 106 -22.658 -2.065 -4.030 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.329 -4.497 -5.570 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.333 -3.111 -5.191 1.00 1.28 H new ATOM 0 HG SER A 106 -23.886 -3.274 -7.466 1.00 1.43 H new ATOM 1663 N ASP A 107 -20.923 -4.859 -4.270 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.361 -5.969 -3.501 1.00 0.99 C ATOM 1665 C ASP A 107 -19.453 -5.438 -2.402 1.00 0.91 C ATOM 1666 O ASP A 107 -19.460 -5.936 -1.276 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.564 -6.917 -4.408 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.296 -7.278 -5.684 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.303 -8.013 -5.617 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -19.861 -6.827 -6.766 1.00 1.89 O ATOM 0 H ASP A 107 -20.616 -4.826 -5.242 1.00 1.05 H new ATOM 0 HA ASP A 107 -21.188 -6.523 -3.056 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.612 -6.451 -4.662 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -19.335 -7.829 -3.857 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.678 -4.412 -2.741 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.758 -3.794 -1.790 1.00 0.84 C ATOM 1677 C ILE A 108 -18.536 -3.191 -0.625 1.00 0.86 C ATOM 1678 O ILE A 108 -18.150 -3.334 0.535 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.905 -2.688 -2.453 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.409 -3.146 -3.829 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.735 -2.313 -1.551 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.675 -2.069 -4.602 1.00 0.90 C ATOM 0 H ILE A 108 -18.669 -3.990 -3.669 1.00 0.90 H new ATOM 0 HA ILE A 108 -17.089 -4.576 -1.430 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.526 -1.804 -2.594 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.748 -4.003 -3.700 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.261 -3.486 -4.418 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.142 -1.533 -2.029 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.114 -1.947 -0.597 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -15.111 -3.190 -1.381 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.354 -2.467 -5.565 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.339 -1.220 -4.763 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.803 -1.744 -4.035 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.646 -2.537 -0.960 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.510 -1.904 0.027 1.00 0.94 C ATOM 1696 C ARG A 109 -21.000 -2.921 1.054 1.00 0.94 C ATOM 1697 O ARG A 109 -21.023 -2.640 2.250 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.702 -1.239 -0.673 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.684 -0.577 0.277 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.840 0.048 -0.480 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.714 0.826 0.392 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.477 1.834 -0.028 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -25.504 2.165 -1.314 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -26.219 2.513 0.841 1.00 1.94 N ATOM 0 H ARG A 109 -19.969 -2.432 -1.922 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.934 -1.143 0.553 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.329 -0.491 -1.373 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.230 -1.990 -1.261 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -23.065 -1.315 0.984 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -22.171 0.188 0.860 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.450 0.692 -1.268 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.420 -0.736 -0.966 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.742 0.583 1.382 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -24.939 1.646 -1.986 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -26.090 2.938 -1.630 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -26.204 2.262 1.830 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -26.803 3.285 0.519 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.369 -4.106 0.580 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.860 -5.167 1.457 1.00 0.97 C ATOM 1720 C ASP A 110 -20.756 -5.668 2.379 1.00 0.92 C ATOM 1721 O ASP A 110 -20.999 -5.936 3.555 1.00 0.92 O ATOM 1722 CB ASP A 110 -22.438 -6.331 0.642 1.00 1.01 C ATOM 1723 CG ASP A 110 -23.858 -6.068 0.187 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -24.552 -5.253 0.828 1.00 1.85 O1- ATOM 1725 OD2 ASP A 110 -24.291 -6.666 -0.822 1.00 1.95 O ATOM 0 H ASP A 110 -21.338 -4.358 -0.408 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.657 -4.746 2.070 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -21.807 -6.509 -0.229 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -22.415 -7.239 1.244 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.541 -5.774 1.847 1.00 0.88 N ATOM 1731 CA VAL A 111 -18.402 -6.239 2.632 1.00 0.84 C ATOM 1732 C VAL A 111 -18.163 -5.318 3.826 1.00 0.84 C ATOM 1733 O VAL A 111 -17.862 -5.778 4.928 1.00 0.84 O ATOM 1734 CB VAL A 111 -17.110 -6.334 1.784 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.935 -6.794 2.637 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -17.304 -7.279 0.610 1.00 0.86 C ATOM 0 H VAL A 111 -19.321 -5.545 0.878 1.00 0.88 H new ATOM 0 HA VAL A 111 -18.647 -7.241 2.985 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.890 -5.339 1.397 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -15.039 -6.853 2.020 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.772 -6.082 3.446 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -16.152 -7.776 3.056 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -16.384 -7.330 0.028 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -17.555 -8.273 0.981 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -18.113 -6.913 -0.022 1.00 0.86 H new ATOM 1746 N PHE A 112 -18.317 -4.020 3.610 1.00 0.84 N ATOM 1747 CA PHE A 112 -18.132 -3.049 4.674 1.00 0.85 C ATOM 1748 C PHE A 112 -19.205 -3.229 5.742 1.00 0.89 C ATOM 1749 O PHE A 112 -18.925 -3.134 6.938 1.00 0.92 O ATOM 1750 CB PHE A 112 -18.159 -1.627 4.116 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.815 -1.159 3.627 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.306 -1.606 2.417 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -16.061 -0.274 4.379 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -15.070 -1.178 1.966 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.824 0.157 3.934 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.329 -0.296 2.725 1.00 0.79 C ATOM 0 H PHE A 112 -18.569 -3.617 2.708 1.00 0.84 H new ATOM 0 HA PHE A 112 -17.156 -3.215 5.131 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.875 -1.579 3.295 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.515 -0.946 4.889 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -16.882 -2.297 1.819 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.443 0.084 5.324 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.686 -1.534 1.021 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -14.245 0.847 4.530 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.364 0.040 2.376 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.425 -3.513 5.305 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.532 -3.731 6.228 1.00 0.97 C ATOM 1768 C ILE A 113 -21.275 -4.988 7.050 1.00 0.99 C ATOM 1769 O ILE A 113 -21.608 -5.054 8.234 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.881 -3.862 5.486 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -23.156 -2.608 4.657 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -24.016 -4.107 6.472 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.360 -2.729 3.752 1.00 1.33 C ATOM 0 H ILE A 113 -20.673 -3.598 4.319 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.595 -2.863 6.884 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.821 -4.718 4.814 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.302 -1.763 5.330 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -22.278 -2.384 4.051 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.957 -4.196 5.929 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.827 -5.028 7.023 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -24.078 -3.272 7.170 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.492 -1.801 3.196 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -24.209 -3.552 3.054 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -25.249 -2.921 4.353 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.660 -5.978 6.414 1.00 0.97 N ATOM 1786 CA ASN A 114 -20.329 -7.233 7.077 1.00 1.00 C ATOM 1787 C ASN A 114 -19.295 -6.998 8.168 1.00 0.99 C ATOM 1788 O ASN A 114 -19.242 -7.730 9.159 1.00 1.02 O ATOM 1789 CB ASN A 114 -19.782 -8.251 6.073 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.837 -8.757 5.110 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -22.025 -8.798 5.433 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -20.409 -9.152 3.923 1.00 1.93 N ATOM 0 H ASN A 114 -20.379 -5.935 5.434 1.00 0.97 H new ATOM 0 HA ASN A 114 -21.243 -7.628 7.521 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -18.970 -7.795 5.507 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -19.357 -9.096 6.615 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -21.072 -9.507 3.234 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -19.416 -9.101 3.696 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.483 -5.965 7.976 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.445 -5.615 8.930 1.00 0.97 C ATOM 1801 C ALA A 115 -18.016 -4.807 10.092 1.00 1.01 C ATOM 1802 O ALA A 115 -17.350 -4.616 11.111 1.00 1.10 O ATOM 1803 CB ALA A 115 -16.335 -4.840 8.239 1.00 0.94 C ATOM 0 H ALA A 115 -18.527 -5.353 7.161 1.00 0.97 H new ATOM 0 HA ALA A 115 -17.030 -6.538 9.335 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.564 -4.584 8.965 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -15.901 -5.453 7.449 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.744 -3.927 7.806 1.00 0.94 H new ATOM 1809 N GLY A 116 -19.246 -4.325 9.940 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.873 -3.555 10.999 1.00 1.05 C ATOM 1811 C GLY A 116 -20.147 -2.115 10.615 1.00 1.06 C ATOM 1812 O GLY A 116 -20.555 -1.316 11.457 1.00 1.15 O ATOM 0 H GLY A 116 -19.818 -4.453 9.105 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.812 -4.033 11.279 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -19.231 -3.573 11.880 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.923 -1.777 9.355 1.00 1.01 N ATOM 1817 CA ILE A 117 -20.163 -0.419 8.885 1.00 1.02 C ATOM 1818 C ILE A 117 -21.585 -0.296 8.344 1.00 1.04 C ATOM 1819 O ILE A 117 -21.974 -1.030 7.438 1.00 1.06 O ATOM 1820 CB ILE A 117 -19.159 -0.002 7.787 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.715 -0.211 8.266 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -19.385 1.448 7.385 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -17.380 0.519 9.552 1.00 1.61 C ATOM 0 H ILE A 117 -19.577 -2.419 8.642 1.00 1.01 H new ATOM 0 HA ILE A 117 -20.029 0.248 9.737 1.00 1.02 H new ATOM 0 HB ILE A 117 -19.323 -0.632 6.913 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.542 -1.277 8.410 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -17.032 0.120 7.484 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.670 1.727 6.611 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.399 1.566 7.002 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -19.248 2.092 8.254 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -16.343 0.321 9.823 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -17.519 1.591 9.409 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -18.037 0.171 10.349 1.00 1.61 H new ATOM 1835 N LYS A 118 -22.352 0.627 8.904 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.728 0.838 8.481 1.00 1.12 C ATOM 1837 C LYS A 118 -23.781 1.341 7.042 1.00 1.11 C ATOM 1838 O LYS A 118 -23.003 2.216 6.654 1.00 1.07 O ATOM 1839 CB LYS A 118 -24.426 1.830 9.415 1.00 1.18 C ATOM 1840 CG LYS A 118 -24.813 1.232 10.760 1.00 1.29 C ATOM 1841 CD LYS A 118 -25.095 2.313 11.792 1.00 1.83 C ATOM 1842 CE LYS A 118 -25.689 1.737 13.070 1.00 1.95 C ATOM 1843 NZ LYS A 118 -27.155 1.525 12.958 1.00 2.73 N1+ ATOM 0 H LYS A 118 -22.043 1.244 9.655 1.00 1.08 H new ATOM 0 HA LYS A 118 -24.250 -0.118 8.530 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.769 2.683 9.582 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -25.322 2.209 8.924 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -25.696 0.604 10.639 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -24.010 0.588 11.117 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -24.171 2.840 12.027 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -25.782 3.047 11.371 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -25.203 0.789 13.300 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -25.483 2.411 13.901 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -27.518 1.132 13.850 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -27.623 2.433 12.764 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -27.351 0.861 12.182 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.695 0.779 6.258 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.838 1.179 4.868 1.00 1.19 C ATOM 1859 C GLY A 119 -25.139 2.659 4.715 1.00 1.19 C ATOM 1860 O GLY A 119 -24.718 3.288 3.738 1.00 1.19 O ATOM 0 H GLY A 119 -25.342 0.051 6.561 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.921 0.941 4.329 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.638 0.600 4.407 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.872 3.208 5.678 1.00 1.23 N ATOM 1865 CA GLU A 120 -26.228 4.618 5.682 1.00 1.27 C ATOM 1866 C GLU A 120 -24.972 5.471 5.855 1.00 1.20 C ATOM 1867 O GLU A 120 -24.787 6.483 5.176 1.00 1.22 O ATOM 1868 CB GLU A 120 -27.232 4.906 6.809 1.00 1.35 C ATOM 1869 CG GLU A 120 -28.478 4.022 6.768 1.00 1.80 C ATOM 1870 CD GLU A 120 -28.369 2.784 7.640 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -27.286 2.164 7.676 1.00 2.88 O1- ATOM 1872 OE2 GLU A 120 -29.376 2.415 8.286 1.00 2.98 O ATOM 0 H GLU A 120 -26.235 2.686 6.476 1.00 1.23 H new ATOM 0 HA GLU A 120 -26.694 4.871 4.730 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.734 4.771 7.769 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -27.537 5.951 6.752 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -29.340 4.607 7.087 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -28.664 3.717 5.738 1.00 1.80 H new ATOM 1879 N GLU A 121 -24.102 5.040 6.760 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.853 5.749 7.031 1.00 1.12 C ATOM 1881 C GLU A 121 -21.940 5.667 5.812 1.00 1.07 C ATOM 1882 O GLU A 121 -21.310 6.650 5.416 1.00 1.07 O ATOM 1883 CB GLU A 121 -22.164 5.141 8.259 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.772 5.699 8.539 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.798 7.000 9.312 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -21.492 7.068 10.349 1.00 1.97 O ATOM 1887 OE2 GLU A 121 -20.105 7.958 8.899 1.00 2.52 O1- ATOM 0 H GLU A 121 -24.237 4.200 7.322 1.00 1.16 H new ATOM 0 HA GLU A 121 -23.070 6.797 7.237 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.792 5.309 9.134 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -22.089 4.062 8.122 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -20.198 4.962 9.100 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -20.253 5.855 7.593 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.899 4.483 5.212 1.00 1.04 N ATOM 1895 CA TYR A 122 -21.080 4.233 4.034 1.00 1.01 C ATOM 1896 C TYR A 122 -21.484 5.150 2.877 1.00 1.05 C ATOM 1897 O TYR A 122 -20.633 5.667 2.161 1.00 1.05 O ATOM 1898 CB TYR A 122 -21.207 2.763 3.614 1.00 1.00 C ATOM 1899 CG TYR A 122 -20.200 2.331 2.573 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.871 2.111 2.916 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -20.577 2.138 1.251 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.947 1.711 1.967 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.658 1.740 0.297 1.00 1.28 C ATOM 1904 CZ TYR A 122 -18.347 1.528 0.659 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.436 1.128 -0.291 1.00 0.95 O ATOM 0 H TYR A 122 -22.431 3.672 5.528 1.00 1.04 H new ATOM 0 HA TYR A 122 -20.041 4.447 4.286 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -21.095 2.133 4.496 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -22.211 2.592 3.226 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -18.555 2.254 3.939 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.605 2.301 0.963 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.918 1.543 2.248 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -19.968 1.596 -0.728 1.00 1.28 H new ATOM 0 HH TYR A 122 -17.313 1.844 -0.948 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.786 5.352 2.711 1.00 1.11 N ATOM 1916 CA ASP A 123 -23.302 6.213 1.647 1.00 1.18 C ATOM 1917 C ASP A 123 -22.860 7.660 1.854 1.00 1.18 C ATOM 1918 O ASP A 123 -22.484 8.349 0.903 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.833 6.121 1.584 1.00 1.25 C ATOM 1920 CG ASP A 123 -25.433 7.059 0.553 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -25.444 6.705 -0.650 1.00 2.25 O ATOM 1922 OD2 ASP A 123 -25.907 8.148 0.940 1.00 2.30 O1- ATOM 0 H ASP A 123 -23.506 4.932 3.299 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.892 5.868 0.698 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -25.122 5.097 1.349 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -25.248 6.353 2.565 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.882 8.105 3.106 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.486 9.466 3.448 1.00 1.20 C ATOM 1929 C ALA A 124 -21.001 9.687 3.189 1.00 1.17 C ATOM 1930 O ALA A 124 -20.600 10.732 2.677 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.821 9.756 4.903 1.00 1.21 C ATOM 0 H ALA A 124 -23.171 7.540 3.904 1.00 1.18 H new ATOM 0 HA ALA A 124 -23.042 10.155 2.812 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.522 10.775 5.149 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.894 9.646 5.058 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -22.288 9.056 5.546 1.00 1.21 H new ATOM 1937 N ALA A 125 -20.190 8.698 3.540 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.753 8.780 3.339 1.00 1.06 C ATOM 1939 C ALA A 125 -18.411 8.674 1.860 1.00 1.08 C ATOM 1940 O ALA A 125 -17.550 9.394 1.360 1.00 1.11 O ATOM 1941 CB ALA A 125 -18.046 7.691 4.130 1.00 1.02 C ATOM 0 H ALA A 125 -20.506 7.827 3.967 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.409 9.749 3.700 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.970 7.765 3.970 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -18.264 7.812 5.191 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -18.396 6.714 3.797 1.00 1.02 H new ATOM 1947 N TRP A 126 -19.106 7.784 1.164 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.888 7.571 -0.264 1.00 1.10 C ATOM 1949 C TRP A 126 -19.106 8.865 -1.046 1.00 1.21 C ATOM 1950 O TRP A 126 -18.414 9.137 -2.025 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.844 6.485 -0.766 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.608 6.055 -2.182 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -20.296 6.465 -3.286 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.626 5.125 -2.643 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -19.802 5.845 -4.405 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.772 5.021 -4.041 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.634 4.371 -2.014 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -17.965 4.195 -4.817 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -16.834 3.553 -2.784 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -16.999 3.472 -4.176 1.00 0.96 C ATOM 0 H TRP A 126 -19.832 7.192 1.568 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.857 7.252 -0.420 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.758 5.614 -0.116 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.867 6.850 -0.676 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -21.111 7.174 -3.280 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -20.147 5.977 -5.356 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.496 4.427 -0.944 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -18.097 4.128 -5.887 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -16.065 2.963 -2.307 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.351 2.827 -4.750 1.00 0.96 H new ATOM 1971 N ASN A 127 -20.056 9.669 -0.589 1.00 1.27 N ATOM 1972 CA ASN A 127 -20.377 10.928 -1.247 1.00 1.39 C ATOM 1973 C ASN A 127 -19.868 12.113 -0.440 1.00 1.41 C ATOM 1974 O ASN A 127 -20.544 13.141 -0.334 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.891 11.054 -1.450 1.00 1.49 C ATOM 1976 CG ASN A 127 -22.431 10.049 -2.444 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -22.367 10.261 -3.653 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -22.970 8.948 -1.941 1.00 1.49 N ATOM 0 H ASN A 127 -20.620 9.471 0.238 1.00 1.27 H new ATOM 0 HA ASN A 127 -19.882 10.932 -2.218 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -22.395 10.919 -0.493 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -22.125 12.061 -1.794 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -23.352 8.237 -2.564 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -23.003 8.812 -0.931 1.00 1.49 H new ATOM 1985 N SER A 128 -18.674 11.986 0.113 1.00 1.34 N ATOM 1986 CA SER A 128 -18.104 13.063 0.907 1.00 1.37 C ATOM 1987 C SER A 128 -16.950 13.725 0.168 1.00 1.36 C ATOM 1988 O SER A 128 -16.290 13.095 -0.660 1.00 1.34 O ATOM 1989 CB SER A 128 -17.614 12.539 2.257 1.00 1.32 C ATOM 1990 OG SER A 128 -16.470 11.718 2.103 1.00 2.04 O ATOM 0 H SER A 128 -18.085 11.158 0.029 1.00 1.34 H new ATOM 0 HA SER A 128 -18.887 13.802 1.076 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.377 13.378 2.912 1.00 1.32 H new ATOM 0 HB3 SER A 128 -18.409 11.972 2.740 1.00 1.32 H new ATOM 0 HG SER A 128 -16.749 10.784 2.000 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.710 14.996 0.470 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.621 15.741 -0.150 1.00 1.43 C ATOM 1998 C PHE A 129 -14.281 15.255 0.393 1.00 1.32 C ATOM 1999 O PHE A 129 -13.275 15.242 -0.321 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.783 17.243 0.110 1.00 1.58 C ATOM 2001 CG PHE A 129 -14.602 18.062 -0.332 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -14.341 18.252 -1.679 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -13.750 18.635 0.597 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -13.250 18.997 -2.090 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -12.658 19.381 0.192 1.00 3.66 C ATOM 2006 CZ PHE A 129 -12.408 19.561 -1.153 1.00 3.82 C ATOM 0 H PHE A 129 -17.257 15.533 1.143 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.650 15.571 -1.226 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.675 17.598 -0.407 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.947 17.403 1.176 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -14.997 17.814 -2.417 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.941 18.498 1.651 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -13.057 19.137 -3.143 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -12.002 19.822 0.928 1.00 3.66 H new ATOM 0 HZ PHE A 129 -11.555 20.142 -1.472 1.00 3.82 H new ATOM 2016 N VAL A 130 -14.285 14.849 1.660 1.00 1.34 N ATOM 2017 CA VAL A 130 -13.082 14.358 2.319 1.00 1.27 C ATOM 2018 C VAL A 130 -12.512 13.151 1.584 1.00 1.13 C ATOM 2019 O VAL A 130 -11.321 13.112 1.265 1.00 1.06 O ATOM 2020 CB VAL A 130 -13.365 13.964 3.782 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -12.099 13.479 4.469 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -13.974 15.129 4.546 1.00 1.53 C ATOM 0 H VAL A 130 -15.115 14.851 2.253 1.00 1.34 H new ATOM 0 HA VAL A 130 -12.356 15.171 2.302 1.00 1.27 H new ATOM 0 HB VAL A 130 -14.084 13.144 3.776 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -12.326 13.207 5.500 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -11.710 12.608 3.941 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -11.353 14.273 4.459 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -14.165 14.828 5.576 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -13.283 15.972 4.536 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -14.911 15.424 4.074 1.00 1.53 H new ATOM 2032 N VAL A 131 -13.369 12.174 1.312 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.959 10.965 0.610 1.00 1.01 C ATOM 2034 C VAL A 131 -12.415 11.308 -0.772 1.00 0.96 C ATOM 2035 O VAL A 131 -11.355 10.817 -1.167 1.00 0.90 O ATOM 2036 CB VAL A 131 -14.129 9.963 0.492 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.844 8.895 -0.555 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.400 9.321 1.843 1.00 1.08 C ATOM 0 H VAL A 131 -14.356 12.196 1.568 1.00 1.11 H new ATOM 0 HA VAL A 131 -12.167 10.493 1.192 1.00 1.01 H new ATOM 0 HB VAL A 131 -15.014 10.512 0.171 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.687 8.207 -0.612 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.695 9.368 -1.526 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.945 8.345 -0.278 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -15.226 8.616 1.752 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.508 8.793 2.180 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.660 10.093 2.567 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.123 12.182 -1.483 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.709 12.606 -2.814 1.00 1.01 C ATOM 2050 C LYS A 132 -11.326 13.252 -2.763 1.00 0.96 C ATOM 2051 O LYS A 132 -10.498 13.043 -3.652 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.729 13.578 -3.406 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.099 12.957 -3.630 1.00 1.32 C ATOM 2054 CD LYS A 132 -16.102 13.978 -4.137 1.00 1.44 C ATOM 2055 CE LYS A 132 -17.373 13.314 -4.635 1.00 1.93 C ATOM 2056 NZ LYS A 132 -17.176 12.637 -5.945 1.00 2.43 N1+ ATOM 0 H LYS A 132 -13.989 12.611 -1.156 1.00 1.02 H new ATOM 0 HA LYS A 132 -12.656 11.726 -3.455 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -13.832 14.435 -2.740 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.350 13.956 -4.356 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.016 12.141 -4.348 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.460 12.525 -2.697 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -16.346 14.677 -3.337 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -15.654 14.559 -4.943 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.713 12.586 -3.899 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -18.159 14.063 -4.729 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -18.098 12.346 -6.327 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -16.718 13.293 -6.609 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -16.574 11.799 -5.816 1.00 2.43 H new ATOM 2070 N SER A 133 -11.079 14.024 -1.710 1.00 0.99 N ATOM 2071 CA SER A 133 -9.796 14.688 -1.523 1.00 0.96 C ATOM 2072 C SER A 133 -8.692 13.648 -1.343 1.00 0.88 C ATOM 2073 O SER A 133 -7.567 13.825 -1.812 1.00 0.86 O ATOM 2074 CB SER A 133 -9.854 15.615 -0.304 1.00 1.04 C ATOM 2075 OG SER A 133 -9.043 16.765 -0.490 1.00 1.47 O ATOM 0 H SER A 133 -11.756 14.205 -0.969 1.00 0.99 H new ATOM 0 HA SER A 133 -9.576 15.287 -2.407 1.00 0.96 H new ATOM 0 HB2 SER A 133 -10.885 15.920 -0.125 1.00 1.04 H new ATOM 0 HB3 SER A 133 -9.523 15.074 0.583 1.00 1.04 H new ATOM 0 HG SER A 133 -9.101 17.338 0.303 1.00 1.47 H new ATOM 2081 N LEU A 134 -9.025 12.558 -0.662 1.00 0.85 N ATOM 2082 CA LEU A 134 -8.070 11.488 -0.424 1.00 0.79 C ATOM 2083 C LEU A 134 -7.808 10.716 -1.711 1.00 0.72 C ATOM 2084 O LEU A 134 -6.668 10.372 -2.016 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.587 10.544 0.665 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.899 11.209 2.007 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -9.527 10.209 2.969 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -7.635 11.806 2.612 1.00 0.93 C ATOM 0 H LEU A 134 -9.950 12.394 -0.266 1.00 0.85 H new ATOM 0 HA LEU A 134 -7.133 11.929 -0.085 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.491 10.055 0.301 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -7.845 9.762 0.828 1.00 0.80 H new ATOM 0 HG LEU A 134 -9.614 12.013 1.833 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -9.741 10.702 3.917 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -10.454 9.826 2.542 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -8.836 9.383 3.137 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -7.875 12.275 3.566 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.900 11.017 2.770 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -7.225 12.554 1.933 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.871 10.458 -2.468 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.771 9.730 -3.732 1.00 0.69 C ATOM 2102 C VAL A 135 -7.828 10.438 -4.700 1.00 0.68 C ATOM 2103 O VAL A 135 -6.947 9.813 -5.294 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.155 9.568 -4.398 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -10.031 8.879 -5.747 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.100 8.796 -3.492 1.00 0.80 C ATOM 0 H VAL A 135 -9.820 10.745 -2.226 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.372 8.743 -3.500 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.569 10.563 -4.560 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -11.019 8.777 -6.196 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.395 9.474 -6.402 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.590 7.891 -5.612 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.069 8.693 -3.980 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.687 7.807 -3.293 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.223 9.333 -2.552 1.00 0.80 H new ATOM 2116 N ALA A 136 -8.005 11.746 -4.836 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.173 12.544 -5.730 1.00 0.75 C ATOM 2118 C ALA A 136 -5.706 12.482 -5.316 1.00 0.70 C ATOM 2119 O ALA A 136 -4.816 12.418 -6.163 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.664 13.988 -5.755 1.00 0.85 C ATOM 0 H ALA A 136 -8.718 12.278 -4.338 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.253 12.128 -6.734 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -7.036 14.574 -6.425 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.695 14.016 -6.107 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.613 14.407 -4.750 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.464 12.472 -4.010 1.00 0.72 N ATOM 2127 CA GLN A 137 -4.104 12.422 -3.485 1.00 0.71 C ATOM 2128 C GLN A 137 -3.454 11.063 -3.735 1.00 0.63 C ATOM 2129 O GLN A 137 -2.254 10.983 -3.998 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.110 12.744 -1.992 1.00 0.78 C ATOM 2131 CG GLN A 137 -4.322 14.221 -1.701 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.319 14.518 -0.219 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -3.271 14.767 0.373 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -5.495 14.498 0.389 1.00 1.39 N ATOM 0 H GLN A 137 -6.191 12.498 -3.295 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.512 13.170 -4.012 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.897 12.167 -1.505 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -3.164 12.426 -1.554 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -3.538 14.801 -2.188 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -5.270 14.542 -2.132 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -6.340 14.286 -0.142 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -5.556 14.694 1.388 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.260 10.006 -3.667 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.775 8.644 -3.883 1.00 0.52 C ATOM 2145 C GLN A 138 -3.100 8.511 -5.246 1.00 0.55 C ATOM 2146 O GLN A 138 -1.939 8.106 -5.342 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.935 7.649 -3.784 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.473 7.462 -2.375 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.492 6.342 -2.282 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.135 5.172 -2.154 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.766 6.694 -2.318 1.00 0.61 N ATOM 0 H GLN A 138 -5.258 10.067 -3.463 1.00 0.58 H new ATOM 0 HA GLN A 138 -3.039 8.422 -3.110 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.746 7.987 -4.429 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.605 6.683 -4.167 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.644 7.251 -1.699 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.930 8.393 -2.038 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -8.021 7.676 -2.425 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.494 5.984 -2.238 1.00 0.61 H new ATOM 2160 N GLU A 139 -3.826 8.888 -6.290 1.00 0.60 N ATOM 2161 CA GLU A 139 -3.319 8.805 -7.653 1.00 0.67 C ATOM 2162 C GLU A 139 -2.245 9.857 -7.908 1.00 0.64 C ATOM 2163 O GLU A 139 -1.309 9.626 -8.677 1.00 0.66 O ATOM 2164 CB GLU A 139 -4.463 8.967 -8.651 1.00 0.78 C ATOM 2165 CG GLU A 139 -4.943 7.648 -9.231 1.00 1.18 C ATOM 2166 CD GLU A 139 -3.910 7.015 -10.140 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -3.348 7.734 -10.991 1.00 2.63 O1- ATOM 2168 OE2 GLU A 139 -3.662 5.795 -10.020 1.00 2.82 O ATOM 0 H GLU A 139 -4.774 9.257 -6.218 1.00 0.60 H new ATOM 0 HA GLU A 139 -2.866 7.822 -7.785 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.298 9.465 -8.159 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -4.138 9.617 -9.464 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -5.180 6.961 -8.419 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -5.865 7.812 -9.789 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.383 11.008 -7.261 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.421 12.089 -7.413 1.00 0.65 C ATOM 2177 C LYS A 140 -0.032 11.642 -6.978 1.00 0.63 C ATOM 2178 O LYS A 140 0.947 11.839 -7.701 1.00 0.64 O ATOM 2179 CB LYS A 140 -1.851 13.318 -6.604 1.00 0.71 C ATOM 2180 CG LYS A 140 -0.755 14.358 -6.435 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.135 15.406 -5.402 1.00 1.16 C ATOM 2182 CE LYS A 140 0.042 16.311 -5.084 1.00 1.57 C ATOM 2183 NZ LYS A 140 -0.244 17.226 -3.951 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.153 11.215 -6.626 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.387 12.359 -8.468 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -2.707 13.782 -7.094 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -2.186 12.993 -5.619 1.00 0.71 H new ATOM 0 HG2 LYS A 140 0.170 13.867 -6.133 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -0.561 14.843 -7.392 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -1.967 16.004 -5.775 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -1.477 14.916 -4.491 1.00 1.16 H new ATOM 0 HE2 LYS A 140 0.913 15.701 -4.845 1.00 1.57 H new ATOM 0 HE3 LYS A 140 0.296 16.897 -5.967 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 0.587 17.824 -3.770 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 -1.059 17.827 -4.188 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 -0.461 16.668 -3.101 1.00 1.95 H new ATOM 2197 N ALA A 141 0.043 11.023 -5.809 1.00 0.62 N ATOM 2198 CA ALA A 141 1.309 10.560 -5.272 1.00 0.62 C ATOM 2199 C ALA A 141 1.941 9.519 -6.186 1.00 0.58 C ATOM 2200 O ALA A 141 3.139 9.570 -6.462 1.00 0.60 O ATOM 2201 CB ALA A 141 1.110 9.993 -3.879 1.00 0.65 C ATOM 0 H ALA A 141 -0.763 10.830 -5.214 1.00 0.62 H new ATOM 0 HA ALA A 141 1.987 11.411 -5.212 1.00 0.62 H new ATOM 0 HB1 ALA A 141 2.067 9.649 -3.486 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.707 10.767 -3.226 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.413 9.156 -3.923 1.00 0.65 H new ATOM 2207 N ALA A 142 1.121 8.598 -6.679 1.00 0.56 N ATOM 2208 CA ALA A 142 1.598 7.534 -7.556 1.00 0.54 C ATOM 2209 C ALA A 142 2.219 8.093 -8.834 1.00 0.57 C ATOM 2210 O ALA A 142 3.304 7.678 -9.245 1.00 0.61 O ATOM 2211 CB ALA A 142 0.464 6.579 -7.904 1.00 0.53 C ATOM 0 H ALA A 142 0.120 8.566 -6.486 1.00 0.56 H new ATOM 0 HA ALA A 142 2.372 6.989 -7.015 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.839 5.792 -8.559 1.00 0.53 H new ATOM 0 HB2 ALA A 142 0.070 6.134 -6.990 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.330 7.127 -8.412 1.00 0.53 H new ATOM 2217 N ALA A 143 1.539 9.043 -9.452 1.00 0.58 N ATOM 2218 CA ALA A 143 2.025 9.634 -10.690 1.00 0.63 C ATOM 2219 C ALA A 143 3.103 10.689 -10.445 1.00 0.66 C ATOM 2220 O ALA A 143 3.702 11.198 -11.391 1.00 0.72 O ATOM 2221 CB ALA A 143 0.869 10.226 -11.473 1.00 0.69 C ATOM 0 H ALA A 143 0.652 9.422 -9.120 1.00 0.58 H new ATOM 0 HA ALA A 143 2.486 8.838 -11.274 1.00 0.63 H new ATOM 0 HB1 ALA A 143 1.243 10.666 -12.398 1.00 0.69 H new ATOM 0 HB2 ALA A 143 0.150 9.442 -11.709 1.00 0.69 H new ATOM 0 HB3 ALA A 143 0.382 10.997 -10.876 1.00 0.69 H new ATOM 2227 N ASP A 144 3.357 11.022 -9.188 1.00 0.67 N ATOM 2228 CA ASP A 144 4.376 12.011 -8.863 1.00 0.71 C ATOM 2229 C ASP A 144 5.705 11.329 -8.570 1.00 0.72 C ATOM 2230 O ASP A 144 6.772 11.902 -8.781 1.00 0.79 O ATOM 2231 CB ASP A 144 3.938 12.860 -7.670 1.00 0.73 C ATOM 2232 CG ASP A 144 4.103 14.347 -7.926 1.00 0.85 C ATOM 2233 OD1 ASP A 144 3.170 14.964 -8.490 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 5.164 14.904 -7.581 1.00 1.39 O ATOM 0 H ASP A 144 2.876 10.625 -8.381 1.00 0.67 H new ATOM 0 HA ASP A 144 4.506 12.667 -9.724 1.00 0.71 H new ATOM 0 HB2 ASP A 144 2.894 12.647 -7.440 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.521 12.578 -6.793 1.00 0.73 H new ATOM 2239 N VAL A 145 5.634 10.095 -8.095 1.00 0.68 N ATOM 2240 CA VAL A 145 6.836 9.329 -7.782 1.00 0.70 C ATOM 2241 C VAL A 145 7.180 8.370 -8.917 1.00 0.70 C ATOM 2242 O VAL A 145 8.111 7.574 -8.800 1.00 0.75 O ATOM 2243 CB VAL A 145 6.677 8.517 -6.480 1.00 0.68 C ATOM 2244 CG1 VAL A 145 6.388 9.436 -5.303 1.00 1.34 C ATOM 2245 CG2 VAL A 145 5.585 7.466 -6.627 1.00 1.34 C ATOM 0 H VAL A 145 4.759 9.601 -7.917 1.00 0.68 H new ATOM 0 HA VAL A 145 7.641 10.052 -7.650 1.00 0.70 H new ATOM 0 HB VAL A 145 7.618 8.002 -6.285 1.00 0.68 H new ATOM 0 HG11 VAL A 145 6.280 8.842 -4.396 1.00 1.34 H new ATOM 0 HG12 VAL A 145 7.211 10.140 -5.180 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.466 9.986 -5.489 1.00 1.34 H new ATOM 0 HG21 VAL A 145 5.491 6.906 -5.696 1.00 1.34 H new ATOM 0 HG22 VAL A 145 4.637 7.955 -6.853 1.00 1.34 H new ATOM 0 HG23 VAL A 145 5.844 6.783 -7.437 1.00 1.34 H new ATOM 2255 N GLN A 146 6.427 8.470 -10.019 1.00 0.68 N ATOM 2256 CA GLN A 146 6.621 7.608 -11.187 1.00 0.71 C ATOM 2257 C GLN A 146 6.513 6.143 -10.777 1.00 0.63 C ATOM 2258 O GLN A 146 7.429 5.350 -10.994 1.00 0.69 O ATOM 2259 CB GLN A 146 7.976 7.879 -11.850 1.00 0.86 C ATOM 2260 CG GLN A 146 8.217 9.341 -12.202 1.00 1.03 C ATOM 2261 CD GLN A 146 9.470 9.542 -13.035 1.00 1.30 C ATOM 2262 OE1 GLN A 146 10.285 8.631 -13.188 1.00 1.61 O ATOM 2263 NE2 GLN A 146 9.644 10.744 -13.558 1.00 1.95 N ATOM 0 H GLN A 146 5.671 9.147 -10.124 1.00 0.68 H new ATOM 0 HA GLN A 146 5.840 7.832 -11.914 1.00 0.71 H new ATOM 0 HB2 GLN A 146 8.769 7.542 -11.182 1.00 0.86 H new ATOM 0 HB3 GLN A 146 8.049 7.281 -12.758 1.00 0.86 H new ATOM 0 HG2 GLN A 146 7.356 9.726 -12.749 1.00 1.03 H new ATOM 0 HG3 GLN A 146 8.298 9.923 -11.284 1.00 1.03 H new ATOM 0 HE21 GLN A 146 8.945 11.472 -13.408 1.00 1.95 H new ATOM 0 HE22 GLN A 146 10.477 10.944 -14.112 1.00 1.95 H new ATOM 2272 N LEU A 147 5.387 5.801 -10.167 1.00 0.55 N ATOM 2273 CA LEU A 147 5.149 4.444 -9.703 1.00 0.49 C ATOM 2274 C LEU A 147 5.103 3.458 -10.873 1.00 0.50 C ATOM 2275 O LEU A 147 4.112 3.378 -11.600 1.00 0.62 O ATOM 2276 CB LEU A 147 3.846 4.392 -8.906 1.00 0.51 C ATOM 2277 CG LEU A 147 3.529 3.041 -8.270 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.545 2.702 -7.192 1.00 0.71 C ATOM 2279 CD2 LEU A 147 2.125 3.046 -7.690 1.00 0.55 C ATOM 0 H LEU A 147 4.621 6.449 -9.982 1.00 0.55 H new ATOM 0 HA LEU A 147 5.976 4.150 -9.057 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.889 5.145 -8.119 1.00 0.51 H new ATOM 0 HB3 LEU A 147 3.023 4.667 -9.566 1.00 0.51 H new ATOM 0 HG LEU A 147 3.584 2.277 -9.045 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.300 1.735 -6.752 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.541 2.658 -7.632 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.523 3.469 -6.418 1.00 0.71 H new ATOM 0 HD21 LEU A 147 1.914 2.076 -7.240 1.00 0.55 H new ATOM 0 HD22 LEU A 147 2.048 3.823 -6.930 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.404 3.243 -8.484 1.00 0.55 H new ATOM 2291 N ARG A 148 6.187 2.710 -11.043 1.00 0.53 N ATOM 2292 CA ARG A 148 6.293 1.728 -12.115 1.00 0.64 C ATOM 2293 C ARG A 148 6.026 0.329 -11.575 1.00 0.61 C ATOM 2294 O ARG A 148 6.708 -0.631 -11.931 1.00 1.08 O ATOM 2295 CB ARG A 148 7.688 1.785 -12.741 1.00 0.84 C ATOM 2296 CG ARG A 148 8.097 3.175 -13.198 1.00 1.02 C ATOM 2297 CD ARG A 148 9.599 3.268 -13.416 1.00 1.75 C ATOM 2298 NE ARG A 148 10.078 4.646 -13.353 1.00 2.46 N ATOM 2299 CZ ARG A 148 11.343 4.979 -13.092 1.00 3.34 C ATOM 2300 NH1 ARG A 148 12.260 4.035 -12.908 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 11.694 6.255 -13.015 1.00 4.16 N ATOM 0 H ARG A 148 7.012 2.766 -10.446 1.00 0.53 H new ATOM 0 HA ARG A 148 5.550 1.960 -12.878 1.00 0.64 H new ATOM 0 HB2 ARG A 148 8.417 1.422 -12.016 1.00 0.84 H new ATOM 0 HB3 ARG A 148 7.722 1.107 -13.594 1.00 0.84 H new ATOM 0 HG2 ARG A 148 7.577 3.423 -14.124 1.00 1.02 H new ATOM 0 HG3 ARG A 148 7.790 3.909 -12.454 1.00 1.02 H new ATOM 0 HD2 ARG A 148 10.112 2.671 -12.662 1.00 1.75 H new ATOM 0 HD3 ARG A 148 9.851 2.841 -14.387 1.00 1.75 H new ATOM 0 HE ARG A 148 9.407 5.396 -13.518 1.00 2.46 H new ATOM 0 HH11 ARG A 148 11.998 3.051 -12.966 1.00 3.78 H new ATOM 0 HH12 ARG A 148 13.226 4.294 -12.709 1.00 3.78 H new ATOM 0 HH21 ARG A 148 10.996 6.985 -13.155 1.00 4.16 H new ATOM 0 HH22 ARG A 148 12.662 6.506 -12.815 1.00 4.16 H new ATOM 2315 N GLY A 149 5.040 0.228 -10.702 1.00 0.49 N ATOM 2316 CA GLY A 149 4.686 -1.039 -10.115 1.00 0.45 C ATOM 2317 C GLY A 149 3.448 -0.904 -9.270 1.00 0.42 C ATOM 2318 O GLY A 149 2.838 0.165 -9.244 1.00 0.68 O ATOM 0 H GLY A 149 4.472 1.015 -10.387 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.518 -1.776 -10.901 1.00 0.45 H new ATOM 0 HA3 GLY A 149 5.511 -1.406 -9.505 1.00 0.45 H new ATOM 2322 N VAL A 150 3.069 -1.965 -8.582 1.00 0.31 N ATOM 2323 CA VAL A 150 1.888 -1.922 -7.737 1.00 0.32 C ATOM 2324 C VAL A 150 2.259 -1.916 -6.251 1.00 0.33 C ATOM 2325 O VAL A 150 1.910 -0.978 -5.547 1.00 0.38 O ATOM 2326 CB VAL A 150 0.902 -3.074 -8.034 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.522 -2.634 -7.735 1.00 0.45 C ATOM 2328 CG2 VAL A 150 1.026 -3.547 -9.477 1.00 0.49 C ATOM 0 H VAL A 150 3.557 -2.861 -8.590 1.00 0.31 H new ATOM 0 HA VAL A 150 1.382 -0.986 -7.975 1.00 0.32 H new ATOM 0 HB VAL A 150 1.154 -3.914 -7.387 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -1.208 -3.454 -7.948 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.604 -2.356 -6.684 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -0.776 -1.777 -8.358 1.00 0.45 H new ATOM 0 HG21 VAL A 150 0.320 -4.358 -9.656 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.807 -2.719 -10.151 1.00 0.49 H new ATOM 0 HG23 VAL A 150 2.040 -3.903 -9.657 1.00 0.49 H new ATOM 2338 N PRO A 151 2.990 -2.937 -5.744 1.00 0.35 N ATOM 2339 CA PRO A 151 3.367 -3.009 -4.339 1.00 0.41 C ATOM 2340 C PRO A 151 4.750 -2.413 -4.078 1.00 0.40 C ATOM 2341 O PRO A 151 5.691 -3.126 -3.717 1.00 0.56 O ATOM 2342 CB PRO A 151 3.370 -4.519 -4.073 1.00 0.50 C ATOM 2343 CG PRO A 151 3.442 -5.189 -5.416 1.00 0.53 C ATOM 2344 CD PRO A 151 3.526 -4.101 -6.458 1.00 0.37 C ATOM 0 HA PRO A 151 2.694 -2.443 -3.695 1.00 0.41 H new ATOM 0 HB2 PRO A 151 4.220 -4.802 -3.452 1.00 0.50 H new ATOM 0 HB3 PRO A 151 2.470 -4.820 -3.537 1.00 0.50 H new ATOM 0 HG2 PRO A 151 4.312 -5.843 -5.473 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.563 -5.812 -5.582 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.551 -3.936 -6.791 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.937 -4.341 -7.344 1.00 0.37 H new ATOM 2352 N ALA A 152 4.866 -1.106 -4.253 1.00 0.38 N ATOM 2353 CA ALA A 152 6.134 -0.421 -4.047 1.00 0.38 C ATOM 2354 C ALA A 152 6.039 0.550 -2.879 1.00 0.40 C ATOM 2355 O ALA A 152 5.001 1.176 -2.663 1.00 0.63 O ATOM 2356 CB ALA A 152 6.555 0.306 -5.318 1.00 0.40 C ATOM 0 H ALA A 152 4.098 -0.498 -4.537 1.00 0.38 H new ATOM 0 HA ALA A 152 6.893 -1.166 -3.806 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.505 0.814 -5.149 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.667 -0.414 -6.129 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.794 1.039 -5.587 1.00 0.40 H new ATOM 2362 N MET A 153 7.119 0.656 -2.120 1.00 0.32 N ATOM 2363 CA MET A 153 7.163 1.553 -0.978 1.00 0.31 C ATOM 2364 C MET A 153 8.166 2.676 -1.214 1.00 0.31 C ATOM 2365 O MET A 153 9.253 2.452 -1.750 1.00 0.34 O ATOM 2366 CB MET A 153 7.527 0.779 0.292 1.00 0.34 C ATOM 2367 CG MET A 153 7.259 1.545 1.577 1.00 0.35 C ATOM 2368 SD MET A 153 7.489 0.524 3.046 1.00 0.38 S ATOM 2369 CE MET A 153 6.148 -0.654 2.859 1.00 0.42 C ATOM 0 H MET A 153 7.979 0.130 -2.276 1.00 0.32 H new ATOM 0 HA MET A 153 6.174 1.994 -0.851 1.00 0.31 H new ATOM 0 HB2 MET A 153 6.963 -0.153 0.312 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.583 0.512 0.253 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.925 2.407 1.629 1.00 0.35 H new ATOM 0 HG3 MET A 153 6.239 1.930 1.561 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.918 -1.100 3.827 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.265 -0.142 2.476 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.446 -1.436 2.161 1.00 0.42 H new ATOM 2379 N PHE A 154 7.779 3.880 -0.826 1.00 0.33 N ATOM 2380 CA PHE A 154 8.619 5.057 -0.974 1.00 0.36 C ATOM 2381 C PHE A 154 8.817 5.719 0.383 1.00 0.38 C ATOM 2382 O PHE A 154 7.849 6.044 1.071 1.00 0.43 O ATOM 2383 CB PHE A 154 7.981 6.051 -1.951 1.00 0.39 C ATOM 2384 CG PHE A 154 7.934 5.568 -3.374 1.00 0.39 C ATOM 2385 CD1 PHE A 154 7.012 4.613 -3.769 1.00 0.48 C ATOM 2386 CD2 PHE A 154 8.813 6.074 -4.318 1.00 0.45 C ATOM 2387 CE1 PHE A 154 6.971 4.167 -5.074 1.00 0.52 C ATOM 2388 CE2 PHE A 154 8.773 5.633 -5.626 1.00 0.48 C ATOM 2389 CZ PHE A 154 7.852 4.680 -6.005 1.00 0.48 C ATOM 0 H PHE A 154 6.872 4.069 -0.399 1.00 0.33 H new ATOM 0 HA PHE A 154 9.586 4.751 -1.372 1.00 0.36 H new ATOM 0 HB2 PHE A 154 6.966 6.270 -1.619 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.537 6.988 -1.915 1.00 0.39 H new ATOM 0 HD1 PHE A 154 6.316 4.212 -3.046 1.00 0.48 H new ATOM 0 HD2 PHE A 154 9.537 6.821 -4.028 1.00 0.45 H new ATOM 0 HE1 PHE A 154 6.251 3.418 -5.367 1.00 0.52 H new ATOM 0 HE2 PHE A 154 9.464 6.035 -6.352 1.00 0.48 H new ATOM 0 HZ PHE A 154 7.820 4.335 -7.028 1.00 0.48 H new ATOM 2399 N VAL A 155 10.067 5.916 0.768 1.00 0.40 N ATOM 2400 CA VAL A 155 10.378 6.527 2.051 1.00 0.43 C ATOM 2401 C VAL A 155 10.447 8.048 1.940 1.00 0.46 C ATOM 2402 O VAL A 155 11.328 8.588 1.263 1.00 0.48 O ATOM 2403 CB VAL A 155 11.709 5.998 2.620 1.00 0.47 C ATOM 2404 CG1 VAL A 155 12.022 6.654 3.952 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.670 4.488 2.773 1.00 0.47 C ATOM 0 H VAL A 155 10.883 5.662 0.211 1.00 0.40 H new ATOM 0 HA VAL A 155 9.570 6.256 2.731 1.00 0.43 H new ATOM 0 HB VAL A 155 12.500 6.252 1.914 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.966 6.266 4.336 1.00 0.55 H new ATOM 0 HG12 VAL A 155 12.101 7.733 3.817 1.00 0.55 H new ATOM 0 HG13 VAL A 155 11.224 6.435 4.662 1.00 0.55 H new ATOM 0 HG21 VAL A 155 12.620 4.138 3.176 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.864 4.212 3.453 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.498 4.028 1.800 1.00 0.47 H new ATOM 2415 N ASN A 156 9.487 8.720 2.587 1.00 0.49 N ATOM 2416 CA ASN A 156 9.408 10.185 2.608 1.00 0.55 C ATOM 2417 C ASN A 156 9.303 10.766 1.204 1.00 0.54 C ATOM 2418 O ASN A 156 9.532 11.958 1.000 1.00 0.58 O ATOM 2419 CB ASN A 156 10.623 10.774 3.336 1.00 0.61 C ATOM 2420 CG ASN A 156 10.453 10.782 4.844 1.00 0.86 C ATOM 2421 OD1 ASN A 156 9.411 11.177 5.362 1.00 1.16 O ATOM 2422 ND2 ASN A 156 11.472 10.330 5.559 1.00 1.01 N ATOM 0 H ASN A 156 8.742 8.262 3.112 1.00 0.49 H new ATOM 0 HA ASN A 156 8.501 10.457 3.147 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.511 10.198 3.077 1.00 0.61 H new ATOM 0 HB3 ASN A 156 10.792 11.793 2.988 1.00 0.61 H new ATOM 0 HD21 ASN A 156 11.408 10.301 6.577 1.00 1.01 H new ATOM 0 HD22 ASN A 156 12.321 10.011 5.092 1.00 1.01 H new ATOM 2429 N GLY A 157 8.943 9.922 0.238 1.00 0.51 N ATOM 2430 CA GLY A 157 8.832 10.364 -1.138 1.00 0.52 C ATOM 2431 C GLY A 157 10.167 10.824 -1.686 1.00 0.53 C ATOM 2432 O GLY A 157 10.224 11.555 -2.673 1.00 0.56 O ATOM 0 H GLY A 157 8.726 8.937 0.388 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.447 9.550 -1.752 1.00 0.52 H new ATOM 0 HA3 GLY A 157 8.112 11.179 -1.202 1.00 0.52 H new ATOM 2436 N LYS A 158 11.244 10.387 -1.036 1.00 0.52 N ATOM 2437 CA LYS A 158 12.595 10.756 -1.439 1.00 0.55 C ATOM 2438 C LYS A 158 13.343 9.557 -2.013 1.00 0.53 C ATOM 2439 O LYS A 158 14.104 9.687 -2.977 1.00 0.58 O ATOM 2440 CB LYS A 158 13.367 11.318 -0.240 1.00 0.61 C ATOM 2441 CG LYS A 158 12.944 12.722 0.168 1.00 0.75 C ATOM 2442 CD LYS A 158 13.262 13.012 1.632 1.00 0.96 C ATOM 2443 CE LYS A 158 14.759 12.994 1.913 1.00 1.30 C ATOM 2444 NZ LYS A 158 15.068 13.388 3.318 1.00 1.75 N1+ ATOM 0 H LYS A 158 11.204 9.773 -0.223 1.00 0.52 H new ATOM 0 HA LYS A 158 12.519 11.519 -2.213 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.234 10.649 0.610 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.431 11.325 -0.477 1.00 0.61 H new ATOM 0 HG2 LYS A 158 13.450 13.451 -0.464 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.874 12.842 -0.001 1.00 0.75 H new ATOM 0 HD2 LYS A 158 12.855 13.986 1.904 1.00 0.96 H new ATOM 0 HD3 LYS A 158 12.767 12.273 2.262 1.00 0.96 H new ATOM 0 HE2 LYS A 158 15.152 11.995 1.722 1.00 1.30 H new ATOM 0 HE3 LYS A 158 15.265 13.673 1.226 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 16.082 13.249 3.502 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 14.824 14.389 3.459 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 14.513 12.801 3.973 1.00 1.75 H new ATOM 2458 N TYR A 159 13.125 8.387 -1.423 1.00 0.50 N ATOM 2459 CA TYR A 159 13.796 7.176 -1.873 1.00 0.49 C ATOM 2460 C TYR A 159 12.791 6.089 -2.233 1.00 0.44 C ATOM 2461 O TYR A 159 11.762 5.935 -1.573 1.00 0.45 O ATOM 2462 CB TYR A 159 14.742 6.652 -0.790 1.00 0.53 C ATOM 2463 CG TYR A 159 15.803 7.637 -0.358 1.00 0.63 C ATOM 2464 CD1 TYR A 159 17.004 7.737 -1.046 1.00 0.75 C ATOM 2465 CD2 TYR A 159 15.603 8.461 0.744 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.978 8.632 -0.651 1.00 0.92 C ATOM 2467 CE2 TYR A 159 16.570 9.358 1.143 1.00 0.89 C ATOM 2468 CZ TYR A 159 17.756 9.441 0.444 1.00 0.96 C ATOM 2469 OH TYR A 159 18.720 10.334 0.837 1.00 1.16 O ATOM 0 H TYR A 159 12.491 8.253 -0.635 1.00 0.50 H new ATOM 0 HA TYR A 159 14.370 7.432 -2.764 1.00 0.49 H new ATOM 0 HB2 TYR A 159 14.154 6.365 0.081 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.230 5.749 -1.157 1.00 0.53 H new ATOM 0 HD1 TYR A 159 17.179 7.105 -1.904 1.00 0.75 H new ATOM 0 HD2 TYR A 159 14.676 8.397 1.295 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.908 8.698 -1.196 1.00 0.92 H new ATOM 0 HE2 TYR A 159 16.400 9.993 2.000 1.00 0.89 H new ATOM 0 HH TYR A 159 19.235 10.625 0.055 1.00 1.16 H new ATOM 2479 N GLN A 160 13.099 5.346 -3.287 1.00 0.43 N ATOM 2480 CA GLN A 160 12.254 4.255 -3.750 1.00 0.40 C ATOM 2481 C GLN A 160 12.915 2.922 -3.423 1.00 0.40 C ATOM 2482 O GLN A 160 14.133 2.809 -3.485 1.00 0.46 O ATOM 2483 CB GLN A 160 12.043 4.367 -5.261 1.00 0.44 C ATOM 2484 CG GLN A 160 11.246 3.217 -5.861 1.00 0.48 C ATOM 2485 CD GLN A 160 11.631 2.923 -7.299 1.00 0.72 C ATOM 2486 OE1 GLN A 160 12.789 3.073 -7.688 1.00 0.98 O ATOM 2487 NE2 GLN A 160 10.665 2.500 -8.099 1.00 0.91 N ATOM 0 H GLN A 160 13.942 5.483 -3.845 1.00 0.43 H new ATOM 0 HA GLN A 160 11.288 4.313 -3.249 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.529 5.304 -5.477 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.015 4.416 -5.751 1.00 0.44 H new ATOM 0 HG2 GLN A 160 11.399 2.322 -5.258 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.183 3.455 -5.815 1.00 0.48 H new ATOM 0 HE21 GLN A 160 9.717 2.388 -7.739 1.00 0.91 H new ATOM 0 HE22 GLN A 160 10.868 2.286 -9.075 1.00 0.91 H new ATOM 2496 N LEU A 161 12.123 1.928 -3.055 1.00 0.39 N ATOM 2497 CA LEU A 161 12.665 0.613 -2.740 1.00 0.40 C ATOM 2498 C LEU A 161 12.614 -0.283 -3.969 1.00 0.37 C ATOM 2499 O LEU A 161 11.604 -0.325 -4.675 1.00 0.37 O ATOM 2500 CB LEU A 161 11.898 -0.037 -1.583 1.00 0.45 C ATOM 2501 CG LEU A 161 12.419 0.307 -0.184 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.906 1.669 0.268 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.021 -0.772 0.809 1.00 1.20 C ATOM 0 H LEU A 161 11.110 2.004 -2.967 1.00 0.39 H new ATOM 0 HA LEU A 161 13.703 0.739 -2.432 1.00 0.40 H new ATOM 0 HB2 LEU A 161 10.852 0.262 -1.648 1.00 0.45 H new ATOM 0 HB3 LEU A 161 11.929 -1.119 -1.709 1.00 0.45 H new ATOM 0 HG LEU A 161 13.507 0.354 -0.227 1.00 0.51 H new ATOM 0 HD11 LEU A 161 12.290 1.890 1.264 1.00 1.13 H new ATOM 0 HD12 LEU A 161 12.244 2.435 -0.430 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.816 1.657 0.293 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.398 -0.513 1.798 1.00 1.20 H new ATOM 0 HD22 LEU A 161 10.934 -0.851 0.844 1.00 1.20 H new ATOM 0 HD23 LEU A 161 12.444 -1.727 0.498 1.00 1.20 H new ATOM 2515 N ASN A 162 13.699 -0.997 -4.225 1.00 0.40 N ATOM 2516 CA ASN A 162 13.771 -1.884 -5.376 1.00 0.41 C ATOM 2517 C ASN A 162 13.905 -3.338 -4.937 1.00 0.41 C ATOM 2518 O ASN A 162 14.967 -3.764 -4.481 1.00 0.45 O ATOM 2519 CB ASN A 162 14.955 -1.507 -6.271 1.00 0.50 C ATOM 2520 CG ASN A 162 15.109 -2.438 -7.460 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.125 -2.926 -8.023 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.346 -2.707 -7.841 1.00 0.72 N ATOM 0 H ASN A 162 14.542 -0.980 -3.651 1.00 0.40 H new ATOM 0 HA ASN A 162 12.845 -1.772 -5.940 1.00 0.41 H new ATOM 0 HB2 ASN A 162 14.824 -0.486 -6.629 1.00 0.50 H new ATOM 0 HB3 ASN A 162 15.871 -1.523 -5.681 1.00 0.50 H new ATOM 0 HD21 ASN A 162 16.512 -3.337 -8.625 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.134 -2.284 -7.351 1.00 0.72 H new ATOM 2529 N PRO A 163 12.828 -4.124 -5.066 1.00 0.41 N ATOM 2530 CA PRO A 163 12.840 -5.539 -4.684 1.00 0.43 C ATOM 2531 C PRO A 163 13.624 -6.398 -5.672 1.00 0.45 C ATOM 2532 O PRO A 163 14.084 -7.488 -5.336 1.00 0.52 O ATOM 2533 CB PRO A 163 11.359 -5.919 -4.691 1.00 0.46 C ATOM 2534 CG PRO A 163 10.712 -4.969 -5.639 1.00 0.54 C ATOM 2535 CD PRO A 163 11.507 -3.692 -5.571 1.00 0.43 C ATOM 0 HA PRO A 163 13.328 -5.701 -3.723 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.220 -6.951 -5.013 1.00 0.46 H new ATOM 0 HB3 PRO A 163 10.927 -5.835 -3.694 1.00 0.46 H new ATOM 0 HG2 PRO A 163 10.710 -5.372 -6.652 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.672 -4.794 -5.364 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.588 -3.219 -6.550 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.042 -2.966 -4.904 1.00 0.43 H new ATOM 2543 N GLN A 164 13.804 -5.878 -6.883 1.00 0.48 N ATOM 2544 CA GLN A 164 14.525 -6.589 -7.931 1.00 0.53 C ATOM 2545 C GLN A 164 16.034 -6.523 -7.699 1.00 0.54 C ATOM 2546 O GLN A 164 16.825 -6.960 -8.539 1.00 0.68 O ATOM 2547 CB GLN A 164 14.183 -5.999 -9.304 1.00 0.62 C ATOM 2548 CG GLN A 164 12.822 -6.424 -9.844 1.00 0.86 C ATOM 2549 CD GLN A 164 12.726 -7.915 -10.107 1.00 1.41 C ATOM 2550 OE1 GLN A 164 13.311 -8.429 -11.065 1.00 2.22 O ATOM 2551 NE2 GLN A 164 11.968 -8.617 -9.280 1.00 1.82 N ATOM 0 H GLN A 164 13.457 -4.960 -7.163 1.00 0.48 H new ATOM 0 HA GLN A 164 14.217 -7.634 -7.903 1.00 0.53 H new ATOM 0 HB2 GLN A 164 14.212 -4.911 -9.237 1.00 0.62 H new ATOM 0 HB3 GLN A 164 14.953 -6.295 -10.016 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.049 -6.136 -9.132 1.00 0.86 H new ATOM 0 HG3 GLN A 164 12.620 -5.884 -10.769 1.00 0.86 H new ATOM 0 HE21 GLN A 164 11.501 -8.155 -8.500 1.00 1.82 H new ATOM 0 HE22 GLN A 164 11.851 -9.620 -9.423 1.00 1.82 H new ATOM 2560 N GLY A 165 16.426 -5.965 -6.565 1.00 0.51 N ATOM 2561 CA GLY A 165 17.827 -5.857 -6.227 1.00 0.54 C ATOM 2562 C GLY A 165 18.088 -6.340 -4.820 1.00 0.50 C ATOM 2563 O GLY A 165 19.082 -5.971 -4.199 1.00 0.59 O ATOM 0 H GLY A 165 15.790 -5.581 -5.866 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.420 -6.441 -6.931 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.148 -4.820 -6.324 1.00 0.54 H new ATOM 2567 N MET A 166 17.183 -7.165 -4.314 1.00 0.45 N ATOM 2568 CA MET A 166 17.300 -7.694 -2.964 1.00 0.45 C ATOM 2569 C MET A 166 17.639 -9.181 -2.993 1.00 0.48 C ATOM 2570 O MET A 166 18.006 -9.719 -4.039 1.00 0.57 O ATOM 2571 CB MET A 166 16.003 -7.450 -2.192 1.00 0.43 C ATOM 2572 CG MET A 166 15.779 -5.986 -1.843 1.00 0.43 C ATOM 2573 SD MET A 166 14.216 -5.696 -0.994 1.00 0.48 S ATOM 2574 CE MET A 166 14.244 -3.911 -0.848 1.00 0.49 C ATOM 0 H MET A 166 16.357 -7.483 -4.821 1.00 0.45 H new ATOM 0 HA MET A 166 18.112 -7.175 -2.456 1.00 0.45 H new ATOM 0 HB2 MET A 166 15.162 -7.808 -2.785 1.00 0.43 H new ATOM 0 HB3 MET A 166 16.018 -8.037 -1.274 1.00 0.43 H new ATOM 0 HG2 MET A 166 16.598 -5.639 -1.213 1.00 0.43 H new ATOM 0 HG3 MET A 166 15.806 -5.392 -2.757 1.00 0.43 H new ATOM 0 HE1 MET A 166 13.224 -3.538 -0.751 1.00 0.49 H new ATOM 0 HE2 MET A 166 14.819 -3.627 0.033 1.00 0.49 H new ATOM 0 HE3 MET A 166 14.705 -3.480 -1.737 1.00 0.49 H new ATOM 2584 N ASP A 167 17.520 -9.837 -1.846 1.00 0.55 N ATOM 2585 CA ASP A 167 17.819 -11.261 -1.745 1.00 0.62 C ATOM 2586 C ASP A 167 16.757 -12.107 -2.428 1.00 0.62 C ATOM 2587 O ASP A 167 15.558 -11.929 -2.208 1.00 0.79 O ATOM 2588 CB ASP A 167 17.947 -11.694 -0.283 1.00 0.80 C ATOM 2589 CG ASP A 167 18.345 -13.154 -0.152 1.00 0.94 C ATOM 2590 OD1 ASP A 167 19.560 -13.447 -0.179 1.00 1.54 O1- ATOM 2591 OD2 ASP A 167 17.453 -14.019 -0.039 1.00 1.38 O ATOM 0 H ASP A 167 17.219 -9.406 -0.972 1.00 0.55 H new ATOM 0 HA ASP A 167 18.771 -11.420 -2.252 1.00 0.62 H new ATOM 0 HB2 ASP A 167 18.689 -11.070 0.216 1.00 0.80 H new ATOM 0 HB3 ASP A 167 16.998 -11.530 0.228 1.00 0.80 H new ATOM 2596 N THR A 168 17.219 -13.024 -3.260 1.00 0.67 N ATOM 2597 CA THR A 168 16.344 -13.933 -3.977 1.00 0.79 C ATOM 2598 C THR A 168 16.667 -15.363 -3.572 1.00 0.86 C ATOM 2599 O THR A 168 16.322 -16.321 -4.265 1.00 1.04 O ATOM 2600 CB THR A 168 16.499 -13.783 -5.502 1.00 0.92 C ATOM 2601 OG1 THR A 168 17.661 -12.995 -5.806 1.00 1.03 O ATOM 2602 CG2 THR A 168 15.265 -13.128 -6.112 1.00 1.16 C ATOM 0 H THR A 168 18.211 -13.159 -3.457 1.00 0.67 H new ATOM 0 HA THR A 168 15.313 -13.689 -3.718 1.00 0.79 H new ATOM 0 HB THR A 168 16.613 -14.779 -5.930 1.00 0.92 H new ATOM 0 HG1 THR A 168 17.752 -12.907 -6.778 1.00 1.03 H new ATOM 0 HG21 THR A 168 15.399 -13.033 -7.190 1.00 1.16 H new ATOM 0 HG22 THR A 168 14.388 -13.743 -5.908 1.00 1.16 H new ATOM 0 HG23 THR A 168 15.124 -12.139 -5.675 1.00 1.16 H new ATOM 2610 N SER A 169 17.334 -15.495 -2.434 1.00 0.82 N ATOM 2611 CA SER A 169 17.725 -16.794 -1.919 1.00 0.89 C ATOM 2612 C SER A 169 16.632 -17.360 -1.025 1.00 0.80 C ATOM 2613 O SER A 169 16.265 -18.529 -1.143 1.00 0.93 O ATOM 2614 CB SER A 169 19.028 -16.676 -1.135 1.00 1.01 C ATOM 2615 OG SER A 169 19.869 -15.673 -1.681 1.00 1.53 O ATOM 0 H SER A 169 17.616 -14.710 -1.848 1.00 0.82 H new ATOM 0 HA SER A 169 17.876 -17.471 -2.760 1.00 0.89 H new ATOM 0 HB2 SER A 169 18.808 -16.442 -0.093 1.00 1.01 H new ATOM 0 HB3 SER A 169 19.548 -17.634 -1.144 1.00 1.01 H new ATOM 0 HG SER A 169 19.877 -14.894 -1.087 1.00 1.53 H new ATOM 2621 N ASN A 170 16.115 -16.524 -0.134 1.00 0.68 N ATOM 2622 CA ASN A 170 15.059 -16.942 0.774 1.00 0.69 C ATOM 2623 C ASN A 170 14.121 -15.782 1.059 1.00 0.63 C ATOM 2624 O ASN A 170 14.562 -14.685 1.403 1.00 0.60 O ATOM 2625 CB ASN A 170 15.653 -17.470 2.085 1.00 0.80 C ATOM 2626 CG ASN A 170 14.647 -18.242 2.928 1.00 0.91 C ATOM 2627 OD1 ASN A 170 13.444 -17.974 2.897 1.00 1.21 O ATOM 2628 ND2 ASN A 170 15.138 -19.204 3.688 1.00 1.14 N ATOM 0 H ASN A 170 16.410 -15.554 -0.022 1.00 0.68 H new ATOM 0 HA ASN A 170 14.495 -17.745 0.299 1.00 0.69 H new ATOM 0 HB2 ASN A 170 16.501 -18.117 1.858 1.00 0.80 H new ATOM 0 HB3 ASN A 170 16.038 -16.632 2.666 1.00 0.80 H new ATOM 0 HD21 ASN A 170 14.515 -19.756 4.278 1.00 1.14 H new ATOM 0 HD22 ASN A 170 16.140 -19.395 3.685 1.00 1.14 H new ATOM 2635 N MET A 171 12.823 -16.032 0.926 1.00 0.67 N ATOM 2636 CA MET A 171 11.809 -15.015 1.169 1.00 0.66 C ATOM 2637 C MET A 171 11.887 -14.523 2.609 1.00 0.59 C ATOM 2638 O MET A 171 11.558 -13.378 2.900 1.00 0.55 O ATOM 2639 CB MET A 171 10.410 -15.565 0.872 1.00 0.78 C ATOM 2640 CG MET A 171 10.289 -16.222 -0.494 1.00 0.95 C ATOM 2641 SD MET A 171 10.910 -17.915 -0.501 1.00 1.54 S ATOM 2642 CE MET A 171 11.796 -17.952 -2.060 1.00 1.96 C ATOM 0 H MET A 171 12.447 -16.939 0.649 1.00 0.67 H new ATOM 0 HA MET A 171 11.998 -14.175 0.501 1.00 0.66 H new ATOM 0 HB2 MET A 171 10.144 -16.292 1.640 1.00 0.78 H new ATOM 0 HB3 MET A 171 9.688 -14.752 0.939 1.00 0.78 H new ATOM 0 HG2 MET A 171 9.244 -16.220 -0.804 1.00 0.95 H new ATOM 0 HG3 MET A 171 10.840 -15.633 -1.227 1.00 0.95 H new ATOM 0 HE1 MET A 171 12.237 -18.938 -2.205 1.00 1.96 H new ATOM 0 HE2 MET A 171 11.105 -17.740 -2.876 1.00 1.96 H new ATOM 0 HE3 MET A 171 12.585 -17.200 -2.048 1.00 1.96 H new ATOM 2652 N ASP A 172 12.340 -15.398 3.502 1.00 0.63 N ATOM 2653 CA ASP A 172 12.492 -15.054 4.917 1.00 0.62 C ATOM 2654 C ASP A 172 13.477 -13.897 5.084 1.00 0.54 C ATOM 2655 O ASP A 172 13.362 -13.083 5.997 1.00 0.57 O ATOM 2656 CB ASP A 172 12.983 -16.273 5.705 1.00 0.70 C ATOM 2657 CG ASP A 172 13.299 -15.957 7.158 1.00 1.26 C ATOM 2658 OD1 ASP A 172 12.355 -15.747 7.948 1.00 1.82 O ATOM 2659 OD2 ASP A 172 14.495 -15.947 7.521 1.00 2.05 O1- ATOM 0 H ASP A 172 12.610 -16.354 3.272 1.00 0.63 H new ATOM 0 HA ASP A 172 11.521 -14.745 5.304 1.00 0.62 H new ATOM 0 HB2 ASP A 172 12.223 -17.053 5.666 1.00 0.70 H new ATOM 0 HB3 ASP A 172 13.876 -16.673 5.224 1.00 0.70 H new ATOM 2664 N VAL A 173 14.447 -13.832 4.186 1.00 0.51 N ATOM 2665 CA VAL A 173 15.446 -12.776 4.209 1.00 0.49 C ATOM 2666 C VAL A 173 14.923 -11.559 3.458 1.00 0.42 C ATOM 2667 O VAL A 173 15.059 -10.426 3.916 1.00 0.43 O ATOM 2668 CB VAL A 173 16.768 -13.241 3.569 1.00 0.55 C ATOM 2669 CG1 VAL A 173 17.835 -12.164 3.691 1.00 0.58 C ATOM 2670 CG2 VAL A 173 17.242 -14.541 4.201 1.00 0.65 C ATOM 0 H VAL A 173 14.564 -14.503 3.427 1.00 0.51 H new ATOM 0 HA VAL A 173 15.640 -12.518 5.250 1.00 0.49 H new ATOM 0 HB VAL A 173 16.588 -13.422 2.509 1.00 0.55 H new ATOM 0 HG11 VAL A 173 18.760 -12.514 3.232 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.499 -11.259 3.184 1.00 0.58 H new ATOM 0 HG13 VAL A 173 18.012 -11.945 4.744 1.00 0.58 H new ATOM 0 HG21 VAL A 173 18.177 -14.852 3.735 1.00 0.65 H new ATOM 0 HG22 VAL A 173 17.401 -14.390 5.269 1.00 0.65 H new ATOM 0 HG23 VAL A 173 16.488 -15.314 4.053 1.00 0.65 H new ATOM 2680 N PHE A 174 14.311 -11.821 2.308 1.00 0.42 N ATOM 2681 CA PHE A 174 13.746 -10.779 1.455 1.00 0.38 C ATOM 2682 C PHE A 174 12.808 -9.854 2.234 1.00 0.35 C ATOM 2683 O PHE A 174 12.942 -8.630 2.178 1.00 0.35 O ATOM 2684 CB PHE A 174 12.996 -11.432 0.285 1.00 0.41 C ATOM 2685 CG PHE A 174 12.262 -10.458 -0.593 1.00 0.39 C ATOM 2686 CD1 PHE A 174 12.943 -9.693 -1.525 1.00 0.42 C ATOM 2687 CD2 PHE A 174 10.886 -10.318 -0.491 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.265 -8.805 -2.340 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.204 -9.432 -1.299 1.00 0.47 C ATOM 2690 CZ PHE A 174 10.893 -8.676 -2.227 1.00 0.45 C ATOM 0 H PHE A 174 14.192 -12.765 1.939 1.00 0.42 H new ATOM 0 HA PHE A 174 14.564 -10.167 1.076 1.00 0.38 H new ATOM 0 HB2 PHE A 174 13.708 -11.988 -0.324 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.284 -12.155 0.682 1.00 0.41 H new ATOM 0 HD1 PHE A 174 14.015 -9.791 -1.616 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.342 -10.910 0.230 1.00 0.44 H new ATOM 0 HE1 PHE A 174 12.806 -8.213 -3.063 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.133 -9.330 -1.206 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.361 -7.985 -2.864 1.00 0.45 H new ATOM 2700 N VAL A 175 11.871 -10.449 2.969 1.00 0.37 N ATOM 2701 CA VAL A 175 10.903 -9.684 3.752 1.00 0.37 C ATOM 2702 C VAL A 175 11.593 -8.786 4.774 1.00 0.35 C ATOM 2703 O VAL A 175 11.318 -7.585 4.849 1.00 0.36 O ATOM 2704 CB VAL A 175 9.912 -10.616 4.480 1.00 0.41 C ATOM 2705 CG1 VAL A 175 8.939 -9.818 5.328 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.156 -11.473 3.481 1.00 0.45 C ATOM 0 H VAL A 175 11.761 -11.461 3.039 1.00 0.37 H new ATOM 0 HA VAL A 175 10.354 -9.058 3.048 1.00 0.37 H new ATOM 0 HB VAL A 175 10.485 -11.268 5.139 1.00 0.41 H new ATOM 0 HG11 VAL A 175 8.251 -10.498 5.830 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.491 -9.244 6.073 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.375 -9.137 4.691 1.00 0.48 H new ATOM 0 HG21 VAL A 175 8.462 -12.124 4.012 1.00 0.45 H new ATOM 0 HG22 VAL A 175 8.601 -10.831 2.798 1.00 0.45 H new ATOM 0 HG23 VAL A 175 9.862 -12.080 2.915 1.00 0.45 H new ATOM 2716 N GLN A 176 12.498 -9.369 5.541 1.00 0.37 N ATOM 2717 CA GLN A 176 13.222 -8.636 6.566 1.00 0.39 C ATOM 2718 C GLN A 176 14.084 -7.534 5.955 1.00 0.38 C ATOM 2719 O GLN A 176 14.134 -6.418 6.475 1.00 0.40 O ATOM 2720 CB GLN A 176 14.081 -9.601 7.386 1.00 0.44 C ATOM 2721 CG GLN A 176 13.459 -9.990 8.724 1.00 0.64 C ATOM 2722 CD GLN A 176 12.092 -10.642 8.584 1.00 0.81 C ATOM 2723 OE1 GLN A 176 11.798 -11.309 7.595 1.00 1.70 O ATOM 2724 NE2 GLN A 176 11.248 -10.451 9.583 1.00 1.11 N ATOM 0 H GLN A 176 12.750 -10.355 5.473 1.00 0.37 H new ATOM 0 HA GLN A 176 12.496 -8.158 7.224 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.257 -10.504 6.801 1.00 0.44 H new ATOM 0 HB3 GLN A 176 15.054 -9.144 7.567 1.00 0.44 H new ATOM 0 HG2 GLN A 176 14.129 -10.675 9.243 1.00 0.64 H new ATOM 0 HG3 GLN A 176 13.368 -9.100 9.347 1.00 0.64 H new ATOM 0 HE21 GLN A 176 11.529 -9.891 10.388 1.00 1.11 H new ATOM 0 HE22 GLN A 176 10.316 -10.864 9.549 1.00 1.11 H new ATOM 2733 N GLN A 177 14.748 -7.845 4.845 1.00 0.37 N ATOM 2734 CA GLN A 177 15.598 -6.879 4.161 1.00 0.39 C ATOM 2735 C GLN A 177 14.769 -5.716 3.619 1.00 0.37 C ATOM 2736 O GLN A 177 15.151 -4.554 3.765 1.00 0.39 O ATOM 2737 CB GLN A 177 16.372 -7.555 3.023 1.00 0.42 C ATOM 2738 CG GLN A 177 17.456 -6.676 2.419 1.00 0.56 C ATOM 2739 CD GLN A 177 18.166 -7.324 1.243 1.00 0.58 C ATOM 2740 OE1 GLN A 177 18.262 -8.548 1.153 1.00 1.02 O ATOM 2741 NE2 GLN A 177 18.671 -6.503 0.334 1.00 1.32 N ATOM 0 H GLN A 177 14.712 -8.762 4.400 1.00 0.37 H new ATOM 0 HA GLN A 177 16.313 -6.485 4.883 1.00 0.39 H new ATOM 0 HB2 GLN A 177 16.826 -8.472 3.398 1.00 0.42 H new ATOM 0 HB3 GLN A 177 15.671 -7.844 2.240 1.00 0.42 H new ATOM 0 HG2 GLN A 177 17.012 -5.735 2.094 1.00 0.56 H new ATOM 0 HG3 GLN A 177 18.189 -6.433 3.189 1.00 0.56 H new ATOM 0 HE21 GLN A 177 18.570 -5.494 0.446 1.00 1.32 H new ATOM 0 HE22 GLN A 177 19.161 -6.880 -0.477 1.00 1.32 H new ATOM 2750 N TYR A 178 13.626 -6.037 3.015 1.00 0.36 N ATOM 2751 CA TYR A 178 12.732 -5.023 2.457 1.00 0.36 C ATOM 2752 C TYR A 178 12.315 -4.030 3.542 1.00 0.36 C ATOM 2753 O TYR A 178 12.409 -2.816 3.363 1.00 0.39 O ATOM 2754 CB TYR A 178 11.485 -5.695 1.856 1.00 0.37 C ATOM 2755 CG TYR A 178 10.692 -4.828 0.893 1.00 0.36 C ATOM 2756 CD1 TYR A 178 9.912 -3.771 1.347 1.00 0.40 C ATOM 2757 CD2 TYR A 178 10.717 -5.079 -0.475 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.183 -2.990 0.469 1.00 0.42 C ATOM 2759 CE2 TYR A 178 9.991 -4.299 -1.359 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.226 -3.256 -0.883 1.00 0.40 C ATOM 2761 OH TYR A 178 8.504 -2.476 -1.760 1.00 0.45 O ATOM 0 H TYR A 178 13.296 -6.995 2.899 1.00 0.36 H new ATOM 0 HA TYR A 178 13.261 -4.484 1.671 1.00 0.36 H new ATOM 0 HB2 TYR A 178 11.794 -6.601 1.336 1.00 0.37 H new ATOM 0 HB3 TYR A 178 10.828 -6.003 2.670 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.875 -3.556 2.405 1.00 0.40 H new ATOM 0 HD2 TYR A 178 11.313 -5.896 -0.854 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.582 -2.174 0.841 1.00 0.42 H new ATOM 0 HE2 TYR A 178 10.024 -4.507 -2.418 1.00 0.46 H new ATOM 0 HH TYR A 178 8.645 -2.797 -2.675 1.00 0.45 H new ATOM 2771 N ALA A 179 11.890 -4.564 4.681 1.00 0.35 N ATOM 2772 CA ALA A 179 11.441 -3.746 5.800 1.00 0.37 C ATOM 2773 C ALA A 179 12.597 -2.971 6.433 1.00 0.39 C ATOM 2774 O ALA A 179 12.421 -1.835 6.874 1.00 0.43 O ATOM 2775 CB ALA A 179 10.761 -4.617 6.846 1.00 0.39 C ATOM 0 H ALA A 179 11.847 -5.568 4.854 1.00 0.35 H new ATOM 0 HA ALA A 179 10.726 -3.020 5.414 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.430 -3.995 7.678 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.900 -5.116 6.400 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.465 -5.365 7.210 1.00 0.39 H new ATOM 2781 N ASP A 180 13.775 -3.588 6.471 1.00 0.39 N ATOM 2782 CA ASP A 180 14.955 -2.955 7.061 1.00 0.44 C ATOM 2783 C ASP A 180 15.406 -1.772 6.221 1.00 0.44 C ATOM 2784 O ASP A 180 15.856 -0.758 6.756 1.00 0.49 O ATOM 2785 CB ASP A 180 16.106 -3.956 7.207 1.00 0.48 C ATOM 2786 CG ASP A 180 17.240 -3.410 8.052 1.00 0.80 C ATOM 2787 OD1 ASP A 180 17.031 -3.207 9.271 1.00 1.40 O1- ATOM 2788 OD2 ASP A 180 18.345 -3.181 7.510 1.00 1.55 O ATOM 0 H ASP A 180 13.940 -4.524 6.101 1.00 0.39 H new ATOM 0 HA ASP A 180 14.676 -2.601 8.053 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.730 -4.875 7.657 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.485 -4.217 6.219 1.00 0.48 H new ATOM 2793 N THR A 181 15.277 -1.908 4.904 1.00 0.42 N ATOM 2794 CA THR A 181 15.660 -0.843 3.980 1.00 0.43 C ATOM 2795 C THR A 181 14.867 0.435 4.270 1.00 0.42 C ATOM 2796 O THR A 181 15.405 1.545 4.204 1.00 0.45 O ATOM 2797 CB THR A 181 15.438 -1.269 2.513 1.00 0.44 C ATOM 2798 OG1 THR A 181 16.053 -2.540 2.267 1.00 0.47 O ATOM 2799 CG2 THR A 181 16.013 -0.240 1.551 1.00 0.48 C ATOM 0 H THR A 181 14.910 -2.745 4.452 1.00 0.42 H new ATOM 0 HA THR A 181 16.722 -0.647 4.128 1.00 0.43 H new ATOM 0 HB THR A 181 14.363 -1.343 2.347 1.00 0.44 H new ATOM 0 HG1 THR A 181 15.496 -3.252 2.646 1.00 0.47 H new ATOM 0 HG21 THR A 181 15.842 -0.566 0.525 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.525 0.721 1.712 1.00 0.48 H new ATOM 0 HG23 THR A 181 17.084 -0.137 1.726 1.00 0.48 H new ATOM 2807 N VAL A 182 13.592 0.266 4.608 1.00 0.40 N ATOM 2808 CA VAL A 182 12.719 1.391 4.921 1.00 0.40 C ATOM 2809 C VAL A 182 13.254 2.152 6.126 1.00 0.44 C ATOM 2810 O VAL A 182 13.469 3.362 6.070 1.00 0.48 O ATOM 2811 CB VAL A 182 11.281 0.917 5.225 1.00 0.40 C ATOM 2812 CG1 VAL A 182 10.350 2.101 5.451 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.764 0.023 4.111 1.00 0.39 C ATOM 0 H VAL A 182 13.139 -0.646 4.672 1.00 0.40 H new ATOM 0 HA VAL A 182 12.697 2.044 4.048 1.00 0.40 H new ATOM 0 HB VAL A 182 11.305 0.333 6.145 1.00 0.40 H new ATOM 0 HG11 VAL A 182 9.344 1.738 5.663 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.709 2.690 6.295 1.00 0.43 H new ATOM 0 HG13 VAL A 182 10.330 2.724 4.557 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.750 -0.300 4.345 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.761 0.576 3.172 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.410 -0.850 4.016 1.00 0.39 H new ATOM 2823 N LYS A 183 13.493 1.418 7.205 1.00 0.44 N ATOM 2824 CA LYS A 183 14.002 1.995 8.444 1.00 0.50 C ATOM 2825 C LYS A 183 15.336 2.708 8.212 1.00 0.53 C ATOM 2826 O LYS A 183 15.573 3.798 8.743 1.00 0.60 O ATOM 2827 CB LYS A 183 14.169 0.894 9.490 1.00 0.53 C ATOM 2828 CG LYS A 183 14.714 1.382 10.824 1.00 0.60 C ATOM 2829 CD LYS A 183 15.045 0.218 11.744 1.00 0.75 C ATOM 2830 CE LYS A 183 16.016 0.632 12.838 1.00 0.93 C ATOM 2831 NZ LYS A 183 17.405 0.798 12.324 1.00 1.59 N1+ ATOM 0 H LYS A 183 13.341 0.410 7.247 1.00 0.44 H new ATOM 0 HA LYS A 183 13.285 2.733 8.803 1.00 0.50 H new ATOM 0 HB2 LYS A 183 13.203 0.417 9.657 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.838 0.130 9.094 1.00 0.53 H new ATOM 0 HG2 LYS A 183 15.609 1.982 10.656 1.00 0.60 H new ATOM 0 HG3 LYS A 183 13.981 2.030 11.304 1.00 0.60 H new ATOM 0 HD2 LYS A 183 14.129 -0.163 12.194 1.00 0.75 H new ATOM 0 HD3 LYS A 183 15.477 -0.596 11.162 1.00 0.75 H new ATOM 0 HE2 LYS A 183 15.681 1.569 13.284 1.00 0.93 H new ATOM 0 HE3 LYS A 183 16.010 -0.118 13.629 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 18.064 0.879 13.124 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 17.662 -0.027 11.746 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 17.459 1.658 11.742 1.00 1.59 H new ATOM 2845 N TYR A 184 16.197 2.090 7.412 1.00 0.52 N ATOM 2846 CA TYR A 184 17.501 2.657 7.106 1.00 0.57 C ATOM 2847 C TYR A 184 17.365 4.003 6.400 1.00 0.58 C ATOM 2848 O TYR A 184 18.051 4.956 6.748 1.00 0.65 O ATOM 2849 CB TYR A 184 18.312 1.679 6.243 1.00 0.60 C ATOM 2850 CG TYR A 184 19.615 2.244 5.707 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.692 2.497 6.551 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.767 2.523 4.353 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.877 3.011 6.061 1.00 0.99 C ATOM 2854 CE2 TYR A 184 20.951 3.036 3.858 1.00 0.88 C ATOM 2855 CZ TYR A 184 22.003 3.278 4.717 1.00 0.99 C ATOM 2856 OH TYR A 184 23.182 3.793 4.224 1.00 1.17 O ATOM 0 H TYR A 184 16.013 1.193 6.963 1.00 0.52 H new ATOM 0 HA TYR A 184 18.029 2.824 8.045 1.00 0.57 H new ATOM 0 HB2 TYR A 184 18.532 0.790 6.833 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.696 1.359 5.402 1.00 0.60 H new ATOM 0 HD1 TYR A 184 20.600 2.288 7.607 1.00 0.84 H new ATOM 0 HD2 TYR A 184 18.946 2.336 3.677 1.00 0.74 H new ATOM 0 HE1 TYR A 184 22.702 3.203 6.731 1.00 0.99 H new ATOM 0 HE2 TYR A 184 21.052 3.246 2.804 1.00 0.88 H new ATOM 0 HH TYR A 184 23.103 3.922 3.256 1.00 1.17 H new ATOM 2866 N LEU A 185 16.463 4.079 5.432 1.00 0.54 N ATOM 2867 CA LEU A 185 16.264 5.304 4.659 1.00 0.57 C ATOM 2868 C LEU A 185 15.505 6.382 5.431 1.00 0.59 C ATOM 2869 O LEU A 185 15.811 7.567 5.297 1.00 0.68 O ATOM 2870 CB LEU A 185 15.530 4.984 3.358 1.00 0.54 C ATOM 2871 CG LEU A 185 16.294 4.078 2.390 1.00 0.54 C ATOM 2872 CD1 LEU A 185 15.397 3.664 1.236 1.00 0.53 C ATOM 2873 CD2 LEU A 185 17.548 4.770 1.868 1.00 0.61 C ATOM 0 H LEU A 185 15.854 3.307 5.160 1.00 0.54 H new ATOM 0 HA LEU A 185 17.254 5.706 4.444 1.00 0.57 H new ATOM 0 HB2 LEU A 185 14.579 4.510 3.602 1.00 0.54 H new ATOM 0 HB3 LEU A 185 15.298 5.920 2.850 1.00 0.54 H new ATOM 0 HG LEU A 185 16.603 3.184 2.932 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.954 3.020 0.555 1.00 0.53 H new ATOM 0 HD12 LEU A 185 14.533 3.123 1.623 1.00 0.53 H new ATOM 0 HD13 LEU A 185 15.060 4.552 0.701 1.00 0.53 H new ATOM 0 HD21 LEU A 185 18.072 4.104 1.182 1.00 0.61 H new ATOM 0 HD22 LEU A 185 17.268 5.684 1.344 1.00 0.61 H new ATOM 0 HD23 LEU A 185 18.202 5.018 2.704 1.00 0.61 H new ATOM 2885 N SER A 186 14.525 5.987 6.244 1.00 0.55 N ATOM 2886 CA SER A 186 13.736 6.959 7.001 1.00 0.60 C ATOM 2887 C SER A 186 14.614 7.727 7.985 1.00 0.65 C ATOM 2888 O SER A 186 14.386 8.907 8.253 1.00 0.73 O ATOM 2889 CB SER A 186 12.587 6.260 7.733 1.00 0.59 C ATOM 2890 OG SER A 186 13.024 5.058 8.333 1.00 1.07 O ATOM 0 H SER A 186 14.261 5.013 6.394 1.00 0.55 H new ATOM 0 HA SER A 186 13.313 7.676 6.298 1.00 0.60 H new ATOM 0 HB2 SER A 186 12.180 6.924 8.496 1.00 0.59 H new ATOM 0 HB3 SER A 186 11.780 6.048 7.032 1.00 0.59 H new ATOM 0 HG SER A 186 13.070 4.352 7.655 1.00 1.07 H new ATOM 2896 N GLU A 187 15.640 7.060 8.492 1.00 0.66 N ATOM 2897 CA GLU A 187 16.551 7.674 9.444 1.00 0.76 C ATOM 2898 C GLU A 187 17.860 8.051 8.754 1.00 0.82 C ATOM 2899 O GLU A 187 18.883 8.249 9.407 1.00 0.98 O ATOM 2900 CB GLU A 187 16.827 6.711 10.603 1.00 0.80 C ATOM 2901 CG GLU A 187 15.574 6.288 11.359 1.00 1.10 C ATOM 2902 CD GLU A 187 15.010 7.403 12.213 1.00 1.56 C ATOM 2903 OE1 GLU A 187 15.610 7.708 13.268 1.00 2.01 O ATOM 2904 OE2 GLU A 187 13.978 7.990 11.830 1.00 2.26 O1- ATOM 0 H GLU A 187 15.862 6.092 8.259 1.00 0.66 H new ATOM 0 HA GLU A 187 16.089 8.579 9.838 1.00 0.76 H new ATOM 0 HB2 GLU A 187 17.324 5.822 10.215 1.00 0.80 H new ATOM 0 HB3 GLU A 187 17.519 7.184 11.300 1.00 0.80 H new ATOM 0 HG2 GLU A 187 14.816 5.961 10.647 1.00 1.10 H new ATOM 0 HG3 GLU A 187 15.807 5.432 11.992 1.00 1.10 H new ATOM 2911 N LYS A 188 17.814 8.165 7.434 1.00 0.79 N ATOM 2912 CA LYS A 188 18.997 8.501 6.647 1.00 0.86 C ATOM 2913 C LYS A 188 18.863 9.885 6.022 1.00 0.99 C ATOM 2914 O LYS A 188 18.901 10.027 4.795 1.00 1.46 O ATOM 2915 CB LYS A 188 19.196 7.451 5.555 1.00 0.82 C ATOM 2916 CG LYS A 188 20.580 7.453 4.929 1.00 0.95 C ATOM 2917 CD LYS A 188 20.615 6.641 3.644 1.00 1.00 C ATOM 2918 CE LYS A 188 22.009 6.621 3.035 1.00 1.25 C ATOM 2919 NZ LYS A 188 22.504 7.989 2.722 1.00 1.72 N1+ ATOM 0 H LYS A 188 16.967 8.029 6.882 1.00 0.79 H new ATOM 0 HA LYS A 188 19.864 8.512 7.308 1.00 0.86 H new ATOM 0 HB2 LYS A 188 19.002 6.465 5.976 1.00 0.82 H new ATOM 0 HB3 LYS A 188 18.456 7.614 4.772 1.00 0.82 H new ATOM 0 HG2 LYS A 188 20.884 8.479 4.720 1.00 0.95 H new ATOM 0 HG3 LYS A 188 21.301 7.045 5.637 1.00 0.95 H new ATOM 0 HD2 LYS A 188 20.291 5.620 3.848 1.00 1.00 H new ATOM 0 HD3 LYS A 188 19.910 7.062 2.927 1.00 1.00 H new ATOM 0 HE2 LYS A 188 22.699 6.136 3.726 1.00 1.25 H new ATOM 0 HE3 LYS A 188 21.997 6.023 2.124 1.00 1.25 H new ATOM 0 HZ1 LYS A 188 23.347 7.923 2.116 1.00 1.72 H new ATOM 0 HZ2 LYS A 188 21.762 8.522 2.225 1.00 1.72 H new ATOM 0 HZ3 LYS A 188 22.750 8.480 3.605 1.00 1.72 H new ATOM 2933 N LYS A 189 18.691 10.897 6.872 1.00 1.41 N ATOM 2934 CA LYS A 189 18.564 12.281 6.424 1.00 1.63 C ATOM 2935 C LYS A 189 17.297 12.452 5.584 1.00 2.24 C ATOM 2936 O LYS A 189 17.373 12.422 4.334 1.00 2.81 O ATOM 2937 CB LYS A 189 19.823 12.699 5.644 1.00 2.37 C ATOM 2938 CG LYS A 189 19.902 14.182 5.303 1.00 2.87 C ATOM 2939 CD LYS A 189 19.513 14.464 3.853 1.00 3.48 C ATOM 2940 CE LYS A 189 20.193 13.512 2.876 1.00 3.91 C ATOM 2941 NZ LYS A 189 19.394 12.275 2.647 1.00 4.33 N1+ ATOM 2942 OXT LYS A 189 16.216 12.598 6.184 1.00 2.89 O1- ATOM 0 H LYS A 189 18.636 10.781 7.884 1.00 1.41 H new ATOM 0 HA LYS A 189 18.475 12.935 7.292 1.00 1.63 H new ATOM 0 HB2 LYS A 189 20.702 12.428 6.229 1.00 2.37 H new ATOM 0 HB3 LYS A 189 19.867 12.125 4.718 1.00 2.37 H new ATOM 0 HG2 LYS A 189 19.245 14.741 5.969 1.00 2.87 H new ATOM 0 HG3 LYS A 189 20.916 14.540 5.481 1.00 2.87 H new ATOM 0 HD2 LYS A 189 18.432 14.379 3.746 1.00 3.48 H new ATOM 0 HD3 LYS A 189 19.779 15.491 3.601 1.00 3.48 H new ATOM 0 HE2 LYS A 189 20.351 14.021 1.925 1.00 3.91 H new ATOM 0 HE3 LYS A 189 21.177 13.241 3.260 1.00 3.91 H new ATOM 0 HZ1 LYS A 189 19.822 11.484 3.169 1.00 4.33 H new ATOM 0 HZ2 LYS A 189 18.420 12.424 2.981 1.00 4.33 H new ATOM 0 HZ3 LYS A 189 19.381 12.053 1.631 1.00 4.33 H new TER 2956 LYS A 189 HETATM 2957 O3 SFQ A 201 10.169 -8.033 -7.390 1.00 2.80 O HETATM 2958 C13 SFQ A 201 9.739 -8.923 -6.624 1.00 2.19 C HETATM 2959 O4 SFQ A 201 8.507 -9.029 -6.437 1.00 2.04 O HETATM 2960 C8 SFQ A 201 10.629 -9.783 -5.985 1.00 1.95 C HETATM 2961 C9 SFQ A 201 11.993 -9.629 -6.192 1.00 2.61 C HETATM 2962 C10 SFQ A 201 12.893 -10.478 -5.555 1.00 2.73 C HETATM 2963 C11 SFQ A 201 12.431 -11.481 -4.712 1.00 2.07 C HETATM 2964 C12 SFQ A 201 11.066 -11.638 -4.500 1.00 1.25 C HETATM 2965 C7 SFQ A 201 10.172 -10.785 -5.136 1.00 1.28 C HETATM 2966 N1 SFQ A 201 8.855 -10.886 -4.971 1.00 1.26 N HETATM 2967 S1 SFQ A 201 8.311 -12.054 -3.972 1.00 1.32 S HETATM 2968 O1 SFQ A 201 6.824 -11.829 -3.698 1.00 1.89 O HETATM 2969 O2 SFQ A 201 9.067 -12.000 -2.643 1.00 2.07 O HETATM 2970 C4 SFQ A 201 8.521 -13.626 -4.707 1.00 1.37 C HETATM 2971 C2 SFQ A 201 9.264 -14.612 -4.065 1.00 2.11 C HETATM 2972 C1 SFQ A 201 9.417 -15.865 -4.653 1.00 2.79 C HETATM 2973 C3 SFQ A 201 8.832 -16.126 -5.887 1.00 2.87 C HETATM 2974 I1 SFQ A 201 9.060 -18.007 -6.772 1.00 4.24 I HETATM 2975 C6 SFQ A 201 8.096 -15.143 -6.530 1.00 2.39 C HETATM 2976 C5 SFQ A 201 7.938 -13.893 -5.940 1.00 1.65 C