USER MOD reduce.3.24.130724 H: found=0, std=0, add=1425, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1426 hydrogens (0 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 143:sc= -0.58 (180deg=-1.2) USER MOD Set 1.2: A 181 THR OG1 : rot 79:sc= 1.19 USER MOD Set 2.1: A 56 MET CE :methyl -116:sc= -0.733 (180deg=-2.66!) USER MOD Set 2.2: A 153 MET CE :methyl -164:sc= -0.384 (180deg=-1.06) USER MOD Set 3.1: A 27 SER OG : rot 34:sc= 1.27 USER MOD Set 3.2: A 60 HIS : no HE2:sc= -0.0641 K(o=1.6,f=-8.4!) USER MOD Set 3.3: A 62 ASN : amide:sc= -1.68! K(o=1.6!,f=-4.6) USER MOD Set 3.4: A 73 THR OG1 : rot -134:sc= 2.12 USER MOD Set 4.1: A 59 TYR OH : rot -126:sc= 0.72 USER MOD Set 4.2: A 137 GLN : amide:sc= 0.646 K(o=1.4,f=-0.51) USER MOD Set 5.1: A 43 SER OG : rot -54:sc= 1.15 USER MOD Set 5.2: A 58 LYS NZ :NH3+ -159:sc= 0.927 (180deg=0.726) USER MOD Set 6.1: A 45 ASN : amide:sc= 0.987 K(o=3.8,f=-5.1!) USER MOD Set 6.2: A 49 LYS NZ :NH3+ 139:sc= 2.11 (180deg=-0.123) USER MOD Set 6.3: A 176 GLN : amide:sc= 0.687 K(o=3.8,f=-6.8!) USER MOD Set 7.1: A 30 CYS SG : rot 99:sc= 0.231 USER MOD Set 7.2: A 33 CYS SG : rot 61:sc= 0.307 USER MOD Single : A 3 TYR OH : rot -160:sc= 1.04 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 1.22 K(o=1.2,f=-14!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.14) USER MOD Single : A 21 GLN : amide:sc= -1.58! C(o=-1.6!,f=-3!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.17) USER MOD Single : A 34 TYR OH : rot 33:sc= 1.17 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 HIS : no HE2:sc= 0.394 K(o=0.39,f=-5.7!) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 1.21 (180deg=0.967) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.06 (180deg=-0.164) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.0218 (180deg=-0.291) USER MOD Single : A 57 THR OG1 : rot 48:sc= 0.839 USER MOD Single : A 64 MET CE :methyl 177:sc= 0 (180deg=-0.0296) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.16) USER MOD Single : A 74 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.9!) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.259 (180deg=-0.259) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= -0.0201 (180deg=-0.155) USER MOD Single : A 89 THR OG1 : rot 54:sc= 1.2 USER MOD Single : A 97 GLN : amide:sc= -0.603! C(o=-0.6!,f=-5.7!) USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= 1.1 (180deg=-0.313!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 100 GLN : amide:sc= 0.343 K(o=0.34,f=-3!) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -91:sc= -0.486 USER MOD Single : A 114 ASN : amide:sc= 0.649 K(o=0.65,f=-0.71) USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= -0.0975 (180deg=-0.517) USER MOD Single : A 122 TYR OH : rot -157:sc= 0.0223 USER MOD Single : A 127 ASN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 76:sc= 0.434 USER MOD Single : A 138 GLN : amide:sc= -1.08! C(o=-1.1!,f=-6!) USER MOD Single : A 140 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.13) USER MOD Single : A 146 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 156 ASN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 169:sc=-0.00902 (180deg=-0.125) USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= -0.0675 K(o=-0.067,f=-1.3!) USER MOD Single : A 162 ASN : amide:sc= 0.145 K(o=0.14,f=-2.7!) USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 59:sc= 1.19 USER MOD Single : A 170 ASN : amide:sc= -0.863 K(o=-0.86,f=-7.1!) USER MOD Single : A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= 0.621 K(o=0.62,f=-4.3!) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 81:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 30 N TYR A 3 23.313 -1.216 2.822 1.00 0.86 N ATOM 31 CA TYR A 3 22.390 -0.787 1.779 1.00 0.85 C ATOM 32 C TYR A 3 23.057 0.216 0.847 1.00 0.84 C ATOM 33 O TYR A 3 23.533 1.267 1.281 1.00 0.97 O ATOM 34 CB TYR A 3 21.123 -0.183 2.406 1.00 0.91 C ATOM 35 CG TYR A 3 20.374 -1.153 3.292 1.00 0.93 C ATOM 36 CD1 TYR A 3 19.668 -2.214 2.741 1.00 1.08 C ATOM 37 CD2 TYR A 3 20.387 -1.022 4.675 1.00 0.96 C ATOM 38 CE1 TYR A 3 18.997 -3.116 3.540 1.00 1.18 C ATOM 39 CE2 TYR A 3 19.712 -1.921 5.480 1.00 1.07 C ATOM 40 CZ TYR A 3 19.022 -2.965 4.906 1.00 1.15 C ATOM 41 OH TYR A 3 18.364 -3.871 5.702 1.00 1.32 O ATOM 0 HA TYR A 3 22.105 -1.659 1.190 1.00 0.85 H new ATOM 0 HB2 TYR A 3 21.398 0.695 2.991 1.00 0.91 H new ATOM 0 HB3 TYR A 3 20.460 0.159 1.611 1.00 0.91 H new ATOM 0 HD1 TYR A 3 19.644 -2.335 1.668 1.00 1.08 H new ATOM 0 HD2 TYR A 3 20.932 -0.207 5.128 1.00 0.96 H new ATOM 0 HE1 TYR A 3 18.455 -3.937 3.095 1.00 1.18 H new ATOM 0 HE2 TYR A 3 19.726 -1.805 6.554 1.00 1.07 H new ATOM 0 HH TYR A 3 18.202 -3.475 6.584 1.00 1.32 H new ATOM 51 N GLU A 4 23.092 -0.121 -0.433 1.00 0.79 N ATOM 52 CA GLU A 4 23.707 0.726 -1.442 1.00 0.81 C ATOM 53 C GLU A 4 22.647 1.312 -2.371 1.00 0.74 C ATOM 54 O GLU A 4 21.622 0.682 -2.640 1.00 0.72 O ATOM 55 CB GLU A 4 24.725 -0.078 -2.259 1.00 0.88 C ATOM 56 CG GLU A 4 25.652 -0.942 -1.412 1.00 1.10 C ATOM 57 CD GLU A 4 25.219 -2.395 -1.355 1.00 1.60 C ATOM 58 OE1 GLU A 4 25.527 -3.145 -2.305 1.00 2.29 O ATOM 59 OE2 GLU A 4 24.575 -2.794 -0.359 1.00 2.08 O1- ATOM 0 H GLU A 4 22.696 -0.986 -0.800 1.00 0.79 H new ATOM 0 HA GLU A 4 24.220 1.544 -0.936 1.00 0.81 H new ATOM 0 HB2 GLU A 4 24.189 -0.717 -2.961 1.00 0.88 H new ATOM 0 HB3 GLU A 4 25.327 0.611 -2.851 1.00 0.88 H new ATOM 0 HG2 GLU A 4 26.663 -0.885 -1.816 1.00 1.10 H new ATOM 0 HG3 GLU A 4 25.690 -0.540 -0.400 1.00 1.10 H new ATOM 66 N ASP A 5 22.900 2.524 -2.854 1.00 0.74 N ATOM 67 CA ASP A 5 21.977 3.201 -3.760 1.00 0.71 C ATOM 68 C ASP A 5 22.077 2.582 -5.149 1.00 0.71 C ATOM 69 O ASP A 5 23.138 2.610 -5.781 1.00 0.77 O ATOM 70 CB ASP A 5 22.281 4.704 -3.815 1.00 0.74 C ATOM 71 CG ASP A 5 21.448 5.442 -4.850 1.00 1.14 C ATOM 72 OD1 ASP A 5 20.217 5.567 -4.658 1.00 1.83 O ATOM 73 OD2 ASP A 5 22.026 5.923 -5.850 1.00 1.76 O1- ATOM 0 H ASP A 5 23.739 3.060 -2.633 1.00 0.74 H new ATOM 0 HA ASP A 5 20.960 3.077 -3.389 1.00 0.71 H new ATOM 0 HB2 ASP A 5 22.101 5.141 -2.833 1.00 0.74 H new ATOM 0 HB3 ASP A 5 23.338 4.847 -4.039 1.00 0.74 H new ATOM 78 N GLY A 6 20.976 2.007 -5.599 1.00 0.68 N ATOM 79 CA GLY A 6 20.941 1.361 -6.892 1.00 0.70 C ATOM 80 C GLY A 6 20.793 -0.139 -6.749 1.00 0.71 C ATOM 81 O GLY A 6 20.637 -0.858 -7.737 1.00 0.78 O ATOM 0 H GLY A 6 20.095 1.976 -5.085 1.00 0.68 H new ATOM 0 HA2 GLY A 6 20.111 1.757 -7.477 1.00 0.70 H new ATOM 0 HA3 GLY A 6 21.855 1.589 -7.440 1.00 0.70 H new ATOM 85 N LYS A 7 20.842 -0.613 -5.511 1.00 0.69 N ATOM 86 CA LYS A 7 20.718 -2.034 -5.233 1.00 0.71 C ATOM 87 C LYS A 7 19.414 -2.326 -4.492 1.00 0.64 C ATOM 88 O LYS A 7 18.423 -2.724 -5.104 1.00 0.62 O ATOM 89 CB LYS A 7 21.923 -2.518 -4.418 1.00 0.80 C ATOM 90 CG LYS A 7 21.951 -4.023 -4.178 1.00 0.86 C ATOM 91 CD LYS A 7 22.432 -4.783 -5.402 1.00 1.04 C ATOM 92 CE LYS A 7 22.541 -6.276 -5.118 1.00 1.23 C ATOM 93 NZ LYS A 7 22.964 -7.041 -6.321 1.00 1.87 N1+ ATOM 0 H LYS A 7 20.967 -0.031 -4.683 1.00 0.69 H new ATOM 0 HA LYS A 7 20.697 -2.574 -6.179 1.00 0.71 H new ATOM 0 HB2 LYS A 7 22.838 -2.227 -4.935 1.00 0.80 H new ATOM 0 HB3 LYS A 7 21.925 -2.008 -3.455 1.00 0.80 H new ATOM 0 HG2 LYS A 7 22.604 -4.244 -3.334 1.00 0.86 H new ATOM 0 HG3 LYS A 7 20.953 -4.366 -3.907 1.00 0.86 H new ATOM 0 HD2 LYS A 7 21.743 -4.617 -6.230 1.00 1.04 H new ATOM 0 HD3 LYS A 7 23.403 -4.398 -5.714 1.00 1.04 H new ATOM 0 HE2 LYS A 7 23.257 -6.441 -4.313 1.00 1.23 H new ATOM 0 HE3 LYS A 7 21.578 -6.650 -4.770 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 23.026 -8.052 -6.085 1.00 1.87 H new ATOM 0 HZ2 LYS A 7 22.268 -6.905 -7.082 1.00 1.87 H new ATOM 0 HZ3 LYS A 7 23.894 -6.702 -6.639 1.00 1.87 H new ATOM 107 N GLN A 8 19.412 -2.103 -3.178 1.00 0.66 N ATOM 108 CA GLN A 8 18.233 -2.361 -2.356 1.00 0.62 C ATOM 109 C GLN A 8 17.300 -1.160 -2.365 1.00 0.56 C ATOM 110 O GLN A 8 16.090 -1.298 -2.187 1.00 0.53 O ATOM 111 CB GLN A 8 18.632 -2.689 -0.912 1.00 0.68 C ATOM 112 CG GLN A 8 19.725 -3.738 -0.792 1.00 0.78 C ATOM 113 CD GLN A 8 21.115 -3.126 -0.744 1.00 1.02 C ATOM 114 OE1 GLN A 8 21.348 -2.046 -1.286 1.00 1.46 O ATOM 115 NE2 GLN A 8 22.048 -3.806 -0.100 1.00 1.15 N ATOM 0 H GLN A 8 20.215 -1.744 -2.661 1.00 0.66 H new ATOM 0 HA GLN A 8 17.715 -3.220 -2.782 1.00 0.62 H new ATOM 0 HB2 GLN A 8 18.966 -1.774 -0.422 1.00 0.68 H new ATOM 0 HB3 GLN A 8 17.750 -3.035 -0.373 1.00 0.68 H new ATOM 0 HG2 GLN A 8 19.560 -4.329 0.109 1.00 0.78 H new ATOM 0 HG3 GLN A 8 19.662 -4.423 -1.638 1.00 0.78 H new ATOM 0 HE21 GLN A 8 21.818 -4.698 0.337 1.00 1.15 H new ATOM 0 HE22 GLN A 8 22.998 -3.438 -0.041 1.00 1.15 H new ATOM 124 N TYR A 9 17.867 0.019 -2.563 1.00 0.57 N ATOM 125 CA TYR A 9 17.083 1.240 -2.607 1.00 0.54 C ATOM 126 C TYR A 9 17.633 2.165 -3.679 1.00 0.55 C ATOM 127 O TYR A 9 18.780 2.019 -4.099 1.00 0.62 O ATOM 128 CB TYR A 9 17.058 1.931 -1.232 1.00 0.54 C ATOM 129 CG TYR A 9 18.257 2.810 -0.930 1.00 0.56 C ATOM 130 CD1 TYR A 9 19.385 2.292 -0.304 1.00 0.63 C ATOM 131 CD2 TYR A 9 18.250 4.162 -1.257 1.00 0.59 C ATOM 132 CE1 TYR A 9 20.472 3.098 -0.015 1.00 0.70 C ATOM 133 CE2 TYR A 9 19.334 4.970 -0.973 1.00 0.65 C ATOM 134 CZ TYR A 9 20.441 4.436 -0.353 1.00 0.69 C ATOM 135 OH TYR A 9 21.523 5.241 -0.064 1.00 0.79 O ATOM 0 H TYR A 9 18.869 0.155 -2.696 1.00 0.57 H new ATOM 0 HA TYR A 9 16.053 0.988 -2.860 1.00 0.54 H new ATOM 0 HB2 TYR A 9 16.156 2.539 -1.165 1.00 0.54 H new ATOM 0 HB3 TYR A 9 16.985 1.165 -0.460 1.00 0.54 H new ATOM 0 HD1 TYR A 9 19.413 1.245 -0.039 1.00 0.63 H new ATOM 0 HD2 TYR A 9 17.383 4.587 -1.741 1.00 0.59 H new ATOM 0 HE1 TYR A 9 21.341 2.682 0.473 1.00 0.70 H new ATOM 0 HE2 TYR A 9 19.313 6.017 -1.237 1.00 0.65 H new ATOM 0 HH TYR A 9 21.341 6.155 -0.368 1.00 0.79 H new ATOM 145 N THR A 10 16.816 3.101 -4.124 1.00 0.53 N ATOM 146 CA THR A 10 17.226 4.034 -5.153 1.00 0.56 C ATOM 147 C THR A 10 16.754 5.448 -4.837 1.00 0.55 C ATOM 148 O THR A 10 15.590 5.662 -4.490 1.00 0.56 O ATOM 149 CB THR A 10 16.664 3.618 -6.526 1.00 0.59 C ATOM 150 OG1 THR A 10 15.928 2.393 -6.404 1.00 0.83 O ATOM 151 CG2 THR A 10 17.789 3.448 -7.539 1.00 0.90 C ATOM 0 H THR A 10 15.862 3.234 -3.787 1.00 0.53 H new ATOM 0 HA THR A 10 18.315 4.018 -5.183 1.00 0.56 H new ATOM 0 HB THR A 10 15.997 4.405 -6.878 1.00 0.59 H new ATOM 0 HG1 THR A 10 15.573 2.136 -7.280 1.00 0.83 H new ATOM 0 HG21 THR A 10 17.371 3.154 -8.502 1.00 0.90 H new ATOM 0 HG22 THR A 10 18.325 4.391 -7.649 1.00 0.90 H new ATOM 0 HG23 THR A 10 18.477 2.677 -7.192 1.00 0.90 H new ATOM 159 N THR A 11 17.670 6.402 -4.920 1.00 0.63 N ATOM 160 CA THR A 11 17.342 7.796 -4.677 1.00 0.65 C ATOM 161 C THR A 11 16.625 8.371 -5.895 1.00 0.65 C ATOM 162 O THR A 11 17.131 8.288 -7.014 1.00 0.73 O ATOM 163 CB THR A 11 18.606 8.625 -4.378 1.00 0.71 C ATOM 164 OG1 THR A 11 19.488 7.885 -3.519 1.00 1.11 O ATOM 165 CG2 THR A 11 18.236 9.948 -3.718 1.00 0.97 C ATOM 0 H THR A 11 18.648 6.234 -5.155 1.00 0.63 H new ATOM 0 HA THR A 11 16.690 7.847 -3.805 1.00 0.65 H new ATOM 0 HB THR A 11 19.112 8.833 -5.321 1.00 0.71 H new ATOM 0 HG1 THR A 11 19.925 7.175 -4.033 1.00 1.11 H new ATOM 0 HG21 THR A 11 19.142 10.519 -3.515 1.00 0.97 H new ATOM 0 HG22 THR A 11 17.589 10.519 -4.384 1.00 0.97 H new ATOM 0 HG23 THR A 11 17.712 9.754 -2.782 1.00 0.97 H new ATOM 173 N LEU A 12 15.447 8.934 -5.683 1.00 0.63 N ATOM 174 CA LEU A 12 14.674 9.498 -6.781 1.00 0.65 C ATOM 175 C LEU A 12 15.315 10.774 -7.305 1.00 0.69 C ATOM 176 O LEU A 12 15.930 11.531 -6.550 1.00 0.71 O ATOM 177 CB LEU A 12 13.241 9.786 -6.333 1.00 0.66 C ATOM 178 CG LEU A 12 12.413 8.553 -5.955 1.00 0.67 C ATOM 179 CD1 LEU A 12 11.053 8.970 -5.414 1.00 0.74 C ATOM 180 CD2 LEU A 12 12.251 7.635 -7.157 1.00 0.72 C ATOM 0 H LEU A 12 15.006 9.013 -4.767 1.00 0.63 H new ATOM 0 HA LEU A 12 14.657 8.764 -7.587 1.00 0.65 H new ATOM 0 HB2 LEU A 12 13.274 10.458 -5.475 1.00 0.66 H new ATOM 0 HB3 LEU A 12 12.727 10.317 -7.134 1.00 0.66 H new ATOM 0 HG LEU A 12 12.941 8.008 -5.173 1.00 0.67 H new ATOM 0 HD11 LEU A 12 10.478 8.082 -5.151 1.00 0.74 H new ATOM 0 HD12 LEU A 12 11.188 9.590 -4.528 1.00 0.74 H new ATOM 0 HD13 LEU A 12 10.517 9.537 -6.175 1.00 0.74 H new ATOM 0 HD21 LEU A 12 11.661 6.764 -6.873 1.00 0.72 H new ATOM 0 HD22 LEU A 12 11.743 8.171 -7.959 1.00 0.72 H new ATOM 0 HD23 LEU A 12 13.233 7.311 -7.502 1.00 0.72 H new ATOM 192 N GLU A 13 15.172 10.998 -8.603 1.00 0.75 N ATOM 193 CA GLU A 13 15.717 12.185 -9.241 1.00 0.81 C ATOM 194 C GLU A 13 14.827 13.374 -8.917 1.00 0.80 C ATOM 195 O GLU A 13 15.300 14.483 -8.679 1.00 0.89 O ATOM 196 CB GLU A 13 15.800 11.990 -10.751 1.00 0.92 C ATOM 197 CG GLU A 13 16.622 10.784 -11.168 1.00 1.05 C ATOM 198 CD GLU A 13 16.232 10.285 -12.540 1.00 1.67 C ATOM 199 OE1 GLU A 13 16.398 11.043 -13.522 1.00 2.33 O ATOM 200 OE2 GLU A 13 15.737 9.142 -12.639 1.00 2.28 O1- ATOM 0 H GLU A 13 14.680 10.369 -9.237 1.00 0.75 H new ATOM 0 HA GLU A 13 16.724 12.365 -8.865 1.00 0.81 H new ATOM 0 HB2 GLU A 13 14.791 11.886 -11.151 1.00 0.92 H new ATOM 0 HB3 GLU A 13 16.231 12.885 -11.201 1.00 0.92 H new ATOM 0 HG2 GLU A 13 17.680 11.046 -11.164 1.00 1.05 H new ATOM 0 HG3 GLU A 13 16.489 9.984 -10.439 1.00 1.05 H new ATOM 207 N LYS A 14 13.527 13.118 -8.910 1.00 0.75 N ATOM 208 CA LYS A 14 12.544 14.137 -8.595 1.00 0.76 C ATOM 209 C LYS A 14 11.789 13.737 -7.334 1.00 0.70 C ATOM 210 O LYS A 14 10.946 12.841 -7.369 1.00 0.71 O ATOM 211 CB LYS A 14 11.568 14.315 -9.761 1.00 0.84 C ATOM 212 CG LYS A 14 12.254 14.604 -11.088 1.00 1.51 C ATOM 213 CD LYS A 14 12.841 16.007 -11.122 1.00 2.21 C ATOM 214 CE LYS A 14 14.041 16.087 -12.052 1.00 3.19 C ATOM 215 NZ LYS A 14 13.753 15.512 -13.392 1.00 3.64 N1+ ATOM 0 H LYS A 14 13.128 12.203 -9.121 1.00 0.75 H new ATOM 0 HA LYS A 14 13.053 15.086 -8.426 1.00 0.76 H new ATOM 0 HB2 LYS A 14 10.966 13.412 -9.861 1.00 0.84 H new ATOM 0 HB3 LYS A 14 10.883 15.131 -9.530 1.00 0.84 H new ATOM 0 HG2 LYS A 14 13.046 13.874 -11.255 1.00 1.51 H new ATOM 0 HG3 LYS A 14 11.537 14.489 -11.901 1.00 1.51 H new ATOM 0 HD2 LYS A 14 12.078 16.714 -11.449 1.00 2.21 H new ATOM 0 HD3 LYS A 14 13.139 16.302 -10.116 1.00 2.21 H new ATOM 0 HE2 LYS A 14 14.344 17.128 -12.163 1.00 3.19 H new ATOM 0 HE3 LYS A 14 14.881 15.557 -11.604 1.00 3.19 H new ATOM 0 HZ1 LYS A 14 14.525 15.752 -14.046 1.00 3.64 H new ATOM 0 HZ2 LYS A 14 13.673 14.478 -13.316 1.00 3.64 H new ATOM 0 HZ3 LYS A 14 12.859 15.903 -13.753 1.00 3.64 H new ATOM 229 N PRO A 15 12.103 14.375 -6.200 1.00 0.70 N ATOM 230 CA PRO A 15 11.452 14.070 -4.929 1.00 0.68 C ATOM 231 C PRO A 15 10.025 14.600 -4.874 1.00 0.67 C ATOM 232 O PRO A 15 9.729 15.672 -5.408 1.00 0.76 O ATOM 233 CB PRO A 15 12.335 14.782 -3.904 1.00 0.72 C ATOM 234 CG PRO A 15 12.954 15.915 -4.646 1.00 0.85 C ATOM 235 CD PRO A 15 13.106 15.453 -6.069 1.00 0.79 C ATOM 0 HA PRO A 15 11.361 12.997 -4.757 1.00 0.68 H new ATOM 0 HB2 PRO A 15 11.748 15.139 -3.058 1.00 0.72 H new ATOM 0 HB3 PRO A 15 13.095 14.111 -3.504 1.00 0.72 H new ATOM 0 HG2 PRO A 15 12.327 16.805 -4.591 1.00 0.85 H new ATOM 0 HG3 PRO A 15 13.921 16.179 -4.217 1.00 0.85 H new ATOM 0 HD2 PRO A 15 12.918 16.262 -6.774 1.00 0.79 H new ATOM 0 HD3 PRO A 15 14.114 15.087 -6.265 1.00 0.79 H new ATOM 243 N VAL A 16 9.144 13.843 -4.243 1.00 0.62 N ATOM 244 CA VAL A 16 7.756 14.243 -4.119 1.00 0.64 C ATOM 245 C VAL A 16 7.579 15.147 -2.907 1.00 0.64 C ATOM 246 O VAL A 16 7.396 14.673 -1.784 1.00 0.66 O ATOM 247 CB VAL A 16 6.811 13.026 -4.014 1.00 0.65 C ATOM 248 CG1 VAL A 16 5.356 13.474 -3.981 1.00 0.70 C ATOM 249 CG2 VAL A 16 7.048 12.064 -5.172 1.00 0.72 C ATOM 0 H VAL A 16 9.367 12.947 -3.809 1.00 0.62 H new ATOM 0 HA VAL A 16 7.490 14.789 -5.024 1.00 0.64 H new ATOM 0 HB VAL A 16 7.028 12.505 -3.082 1.00 0.65 H new ATOM 0 HG11 VAL A 16 4.708 12.601 -3.907 1.00 0.70 H new ATOM 0 HG12 VAL A 16 5.194 14.120 -3.119 1.00 0.70 H new ATOM 0 HG13 VAL A 16 5.123 14.022 -4.894 1.00 0.70 H new ATOM 0 HG21 VAL A 16 6.373 11.213 -5.082 1.00 0.72 H new ATOM 0 HG22 VAL A 16 6.861 12.577 -6.115 1.00 0.72 H new ATOM 0 HG23 VAL A 16 8.080 11.713 -5.148 1.00 0.72 H new ATOM 259 N ALA A 17 7.688 16.449 -3.136 1.00 0.71 N ATOM 260 CA ALA A 17 7.528 17.424 -2.068 1.00 0.75 C ATOM 261 C ALA A 17 6.095 17.403 -1.554 1.00 0.72 C ATOM 262 O ALA A 17 5.146 17.578 -2.323 1.00 0.80 O ATOM 263 CB ALA A 17 7.905 18.817 -2.552 1.00 0.89 C ATOM 0 H ALA A 17 7.886 16.853 -4.051 1.00 0.71 H new ATOM 0 HA ALA A 17 8.197 17.159 -1.249 1.00 0.75 H new ATOM 0 HB1 ALA A 17 7.778 19.531 -1.739 1.00 0.89 H new ATOM 0 HB2 ALA A 17 8.945 18.820 -2.879 1.00 0.89 H new ATOM 0 HB3 ALA A 17 7.262 19.099 -3.386 1.00 0.89 H new ATOM 269 N GLY A 18 5.943 17.179 -0.260 1.00 0.71 N ATOM 270 CA GLY A 18 4.625 17.118 0.332 1.00 0.73 C ATOM 271 C GLY A 18 4.215 15.697 0.653 1.00 0.68 C ATOM 272 O GLY A 18 3.172 15.465 1.265 1.00 0.73 O ATOM 0 H GLY A 18 6.713 17.038 0.394 1.00 0.71 H new ATOM 0 HA2 GLY A 18 4.609 17.715 1.244 1.00 0.73 H new ATOM 0 HA3 GLY A 18 3.899 17.560 -0.351 1.00 0.73 H new ATOM 276 N ALA A 19 5.044 14.745 0.242 1.00 0.64 N ATOM 277 CA ALA A 19 4.773 13.334 0.480 1.00 0.60 C ATOM 278 C ALA A 19 4.945 12.983 1.955 1.00 0.57 C ATOM 279 O ALA A 19 5.672 13.663 2.680 1.00 0.61 O ATOM 280 CB ALA A 19 5.695 12.478 -0.373 1.00 0.61 C ATOM 0 H ALA A 19 5.913 14.927 -0.260 1.00 0.64 H new ATOM 0 HA ALA A 19 3.738 13.133 0.203 1.00 0.60 H new ATOM 0 HB1 ALA A 19 5.486 11.424 -0.189 1.00 0.61 H new ATOM 0 HB2 ALA A 19 5.529 12.703 -1.427 1.00 0.61 H new ATOM 0 HB3 ALA A 19 6.732 12.693 -0.116 1.00 0.61 H new ATOM 286 N PRO A 20 4.271 11.918 2.420 1.00 0.54 N ATOM 287 CA PRO A 20 4.359 11.473 3.814 1.00 0.54 C ATOM 288 C PRO A 20 5.669 10.734 4.100 1.00 0.51 C ATOM 289 O PRO A 20 6.531 10.615 3.228 1.00 0.52 O ATOM 290 CB PRO A 20 3.174 10.518 3.946 1.00 0.55 C ATOM 291 CG PRO A 20 2.968 9.971 2.579 1.00 0.56 C ATOM 292 CD PRO A 20 3.370 11.060 1.624 1.00 0.55 C ATOM 0 HA PRO A 20 4.338 12.306 4.516 1.00 0.54 H new ATOM 0 HB2 PRO A 20 3.385 9.723 4.662 1.00 0.55 H new ATOM 0 HB3 PRO A 20 2.285 11.039 4.301 1.00 0.55 H new ATOM 0 HG2 PRO A 20 3.570 9.076 2.424 1.00 0.56 H new ATOM 0 HG3 PRO A 20 1.927 9.685 2.427 1.00 0.56 H new ATOM 0 HD2 PRO A 20 3.875 10.655 0.747 1.00 0.55 H new ATOM 0 HD3 PRO A 20 2.504 11.616 1.265 1.00 0.55 H new ATOM 300 N GLN A 21 5.807 10.243 5.324 1.00 0.52 N ATOM 301 CA GLN A 21 7.004 9.517 5.725 1.00 0.51 C ATOM 302 C GLN A 21 7.079 8.157 5.029 1.00 0.46 C ATOM 303 O GLN A 21 8.081 7.830 4.398 1.00 0.47 O ATOM 304 CB GLN A 21 7.037 9.356 7.248 1.00 0.56 C ATOM 305 CG GLN A 21 7.328 10.659 7.981 1.00 0.66 C ATOM 306 CD GLN A 21 7.025 10.584 9.464 1.00 0.93 C ATOM 307 OE1 GLN A 21 7.883 10.219 10.267 1.00 1.79 O ATOM 308 NE2 GLN A 21 5.806 10.942 9.840 1.00 0.95 N ATOM 0 H GLN A 21 5.104 10.334 6.057 1.00 0.52 H new ATOM 0 HA GLN A 21 7.877 10.093 5.418 1.00 0.51 H new ATOM 0 HB2 GLN A 21 6.079 8.962 7.586 1.00 0.56 H new ATOM 0 HB3 GLN A 21 7.796 8.620 7.513 1.00 0.56 H new ATOM 0 HG2 GLN A 21 8.377 10.921 7.843 1.00 0.66 H new ATOM 0 HG3 GLN A 21 6.738 11.460 7.535 1.00 0.66 H new ATOM 0 HE21 GLN A 21 5.124 11.239 9.142 1.00 0.95 H new ATOM 0 HE22 GLN A 21 5.550 10.921 10.827 1.00 0.95 H new ATOM 317 N VAL A 22 6.014 7.372 5.125 1.00 0.43 N ATOM 318 CA VAL A 22 5.981 6.060 4.488 1.00 0.40 C ATOM 319 C VAL A 22 4.795 5.951 3.538 1.00 0.38 C ATOM 320 O VAL A 22 3.645 5.818 3.963 1.00 0.42 O ATOM 321 CB VAL A 22 5.930 4.916 5.527 1.00 0.42 C ATOM 322 CG1 VAL A 22 5.706 3.575 4.847 1.00 0.45 C ATOM 323 CG2 VAL A 22 7.214 4.879 6.337 1.00 0.45 C ATOM 0 H VAL A 22 5.165 7.618 5.635 1.00 0.43 H new ATOM 0 HA VAL A 22 6.905 5.957 3.920 1.00 0.40 H new ATOM 0 HB VAL A 22 5.093 5.107 6.198 1.00 0.42 H new ATOM 0 HG11 VAL A 22 5.674 2.787 5.599 1.00 0.45 H new ATOM 0 HG12 VAL A 22 4.762 3.596 4.303 1.00 0.45 H new ATOM 0 HG13 VAL A 22 6.522 3.379 4.151 1.00 0.45 H new ATOM 0 HG21 VAL A 22 7.162 4.068 7.064 1.00 0.45 H new ATOM 0 HG22 VAL A 22 8.060 4.715 5.670 1.00 0.45 H new ATOM 0 HG23 VAL A 22 7.342 5.827 6.859 1.00 0.45 H new ATOM 333 N LEU A 23 5.078 6.020 2.247 1.00 0.36 N ATOM 334 CA LEU A 23 4.041 5.928 1.232 1.00 0.36 C ATOM 335 C LEU A 23 4.099 4.561 0.559 1.00 0.32 C ATOM 336 O LEU A 23 5.119 4.197 -0.023 1.00 0.35 O ATOM 337 CB LEU A 23 4.220 7.042 0.191 1.00 0.41 C ATOM 338 CG LEU A 23 3.134 7.123 -0.889 1.00 0.46 C ATOM 339 CD1 LEU A 23 1.779 7.437 -0.276 1.00 0.51 C ATOM 340 CD2 LEU A 23 3.503 8.170 -1.931 1.00 0.53 C ATOM 0 H LEU A 23 6.021 6.140 1.876 1.00 0.36 H new ATOM 0 HA LEU A 23 3.067 6.049 1.705 1.00 0.36 H new ATOM 0 HB2 LEU A 23 4.260 7.998 0.712 1.00 0.41 H new ATOM 0 HB3 LEU A 23 5.184 6.905 -0.299 1.00 0.41 H new ATOM 0 HG LEU A 23 3.066 6.151 -1.378 1.00 0.46 H new ATOM 0 HD11 LEU A 23 1.027 7.489 -1.063 1.00 0.51 H new ATOM 0 HD12 LEU A 23 1.510 6.653 0.432 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.828 8.394 0.243 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.724 8.217 -2.692 1.00 0.53 H new ATOM 0 HD22 LEU A 23 3.600 9.143 -1.450 1.00 0.53 H new ATOM 0 HD23 LEU A 23 4.450 7.900 -2.398 1.00 0.53 H new ATOM 352 N GLU A 24 3.015 3.801 0.657 1.00 0.32 N ATOM 353 CA GLU A 24 2.952 2.474 0.060 1.00 0.30 C ATOM 354 C GLU A 24 1.779 2.386 -0.912 1.00 0.29 C ATOM 355 O GLU A 24 0.750 3.030 -0.717 1.00 0.35 O ATOM 356 CB GLU A 24 2.814 1.411 1.153 1.00 0.36 C ATOM 357 CG GLU A 24 2.979 -0.010 0.645 1.00 0.39 C ATOM 358 CD GLU A 24 2.371 -1.028 1.581 1.00 0.90 C ATOM 359 OE1 GLU A 24 1.172 -0.897 1.906 1.00 1.54 O1- ATOM 360 OE2 GLU A 24 3.082 -1.963 2.000 1.00 1.61 O ATOM 0 H GLU A 24 2.165 4.083 1.146 1.00 0.32 H new ATOM 0 HA GLU A 24 3.875 2.294 -0.491 1.00 0.30 H new ATOM 0 HB2 GLU A 24 3.558 1.600 1.927 1.00 0.36 H new ATOM 0 HB3 GLU A 24 1.835 1.509 1.621 1.00 0.36 H new ATOM 0 HG2 GLU A 24 2.514 -0.099 -0.337 1.00 0.39 H new ATOM 0 HG3 GLU A 24 4.039 -0.226 0.516 1.00 0.39 H new ATOM 367 N PHE A 25 1.949 1.598 -1.960 1.00 0.27 N ATOM 368 CA PHE A 25 0.908 1.423 -2.964 1.00 0.29 C ATOM 369 C PHE A 25 0.529 -0.045 -3.094 1.00 0.29 C ATOM 370 O PHE A 25 1.343 -0.929 -2.825 1.00 0.34 O ATOM 371 CB PHE A 25 1.380 1.949 -4.323 1.00 0.35 C ATOM 372 CG PHE A 25 1.517 3.439 -4.389 1.00 0.37 C ATOM 373 CD1 PHE A 25 0.418 4.241 -4.664 1.00 0.45 C ATOM 374 CD2 PHE A 25 2.745 4.044 -4.187 1.00 0.42 C ATOM 375 CE1 PHE A 25 0.545 5.614 -4.734 1.00 0.52 C ATOM 376 CE2 PHE A 25 2.875 5.417 -4.257 1.00 0.50 C ATOM 377 CZ PHE A 25 1.773 6.202 -4.531 1.00 0.53 C ATOM 0 H PHE A 25 2.801 1.066 -2.140 1.00 0.27 H new ATOM 0 HA PHE A 25 0.034 1.989 -2.644 1.00 0.29 H new ATOM 0 HB2 PHE A 25 2.342 1.496 -4.562 1.00 0.35 H new ATOM 0 HB3 PHE A 25 0.676 1.625 -5.090 1.00 0.35 H new ATOM 0 HD1 PHE A 25 -0.548 3.786 -4.825 1.00 0.45 H new ATOM 0 HD2 PHE A 25 3.611 3.436 -3.972 1.00 0.42 H new ATOM 0 HE1 PHE A 25 -0.319 6.226 -4.948 1.00 0.52 H new ATOM 0 HE2 PHE A 25 3.839 5.877 -4.097 1.00 0.50 H new ATOM 0 HZ PHE A 25 1.874 7.276 -4.586 1.00 0.53 H new ATOM 387 N PHE A 26 -0.713 -0.298 -3.488 1.00 0.31 N ATOM 388 CA PHE A 26 -1.195 -1.661 -3.662 1.00 0.32 C ATOM 389 C PHE A 26 -2.535 -1.675 -4.404 1.00 0.34 C ATOM 390 O PHE A 26 -3.151 -0.626 -4.620 1.00 0.38 O ATOM 391 CB PHE A 26 -1.334 -2.362 -2.297 1.00 0.34 C ATOM 392 CG PHE A 26 -2.653 -2.130 -1.602 1.00 0.36 C ATOM 393 CD1 PHE A 26 -3.096 -0.845 -1.321 1.00 0.47 C ATOM 394 CD2 PHE A 26 -3.451 -3.201 -1.237 1.00 0.38 C ATOM 395 CE1 PHE A 26 -4.307 -0.639 -0.691 1.00 0.55 C ATOM 396 CE2 PHE A 26 -4.662 -2.997 -0.605 1.00 0.44 C ATOM 397 CZ PHE A 26 -5.089 -1.715 -0.334 1.00 0.51 C ATOM 0 H PHE A 26 -1.404 0.424 -3.693 1.00 0.31 H new ATOM 0 HA PHE A 26 -0.465 -2.204 -4.262 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -1.197 -3.434 -2.438 1.00 0.34 H new ATOM 0 HB3 PHE A 26 -0.530 -2.021 -1.645 1.00 0.34 H new ATOM 0 HD1 PHE A 26 -2.487 0.003 -1.598 1.00 0.47 H new ATOM 0 HD2 PHE A 26 -3.123 -4.208 -1.449 1.00 0.38 H new ATOM 0 HE1 PHE A 26 -4.641 0.366 -0.478 1.00 0.55 H new ATOM 0 HE2 PHE A 26 -5.274 -3.841 -0.323 1.00 0.44 H new ATOM 0 HZ PHE A 26 -6.037 -1.554 0.158 1.00 0.51 H new ATOM 407 N SER A 27 -2.969 -2.860 -4.809 1.00 0.35 N ATOM 408 CA SER A 27 -4.238 -3.009 -5.493 1.00 0.39 C ATOM 409 C SER A 27 -4.810 -4.397 -5.251 1.00 0.40 C ATOM 410 O SER A 27 -4.094 -5.394 -5.325 1.00 0.40 O ATOM 411 CB SER A 27 -4.091 -2.769 -6.999 1.00 0.42 C ATOM 412 OG SER A 27 -5.340 -2.406 -7.577 1.00 0.96 O ATOM 0 H SER A 27 -2.457 -3.732 -4.674 1.00 0.35 H new ATOM 0 HA SER A 27 -4.920 -2.260 -5.090 1.00 0.39 H new ATOM 0 HB2 SER A 27 -3.360 -1.980 -7.176 1.00 0.42 H new ATOM 0 HB3 SER A 27 -3.711 -3.670 -7.480 1.00 0.42 H new ATOM 0 HG SER A 27 -5.860 -1.884 -6.931 1.00 0.96 H new ATOM 418 N PHE A 28 -6.104 -4.453 -4.963 1.00 0.45 N ATOM 419 CA PHE A 28 -6.775 -5.719 -4.721 1.00 0.48 C ATOM 420 C PHE A 28 -6.916 -6.498 -6.023 1.00 0.50 C ATOM 421 O PHE A 28 -7.175 -7.695 -6.016 1.00 0.54 O ATOM 422 CB PHE A 28 -8.150 -5.484 -4.091 1.00 0.53 C ATOM 423 CG PHE A 28 -8.083 -4.860 -2.723 1.00 0.51 C ATOM 424 CD1 PHE A 28 -7.735 -5.620 -1.619 1.00 0.50 C ATOM 425 CD2 PHE A 28 -8.369 -3.516 -2.542 1.00 0.58 C ATOM 426 CE1 PHE A 28 -7.674 -5.054 -0.362 1.00 0.54 C ATOM 427 CE2 PHE A 28 -8.311 -2.943 -1.286 1.00 0.62 C ATOM 428 CZ PHE A 28 -7.962 -3.715 -0.195 1.00 0.60 C ATOM 0 H PHE A 28 -6.708 -3.634 -4.892 1.00 0.45 H new ATOM 0 HA PHE A 28 -6.172 -6.304 -4.027 1.00 0.48 H new ATOM 0 HB2 PHE A 28 -8.737 -4.841 -4.747 1.00 0.53 H new ATOM 0 HB3 PHE A 28 -8.677 -6.436 -4.023 1.00 0.53 H new ATOM 0 HD1 PHE A 28 -7.509 -6.669 -1.743 1.00 0.50 H new ATOM 0 HD2 PHE A 28 -8.641 -2.909 -3.393 1.00 0.58 H new ATOM 0 HE1 PHE A 28 -7.401 -5.659 0.490 1.00 0.54 H new ATOM 0 HE2 PHE A 28 -8.538 -1.895 -1.158 1.00 0.62 H new ATOM 0 HZ PHE A 28 -7.915 -3.271 0.788 1.00 0.60 H new ATOM 438 N PHE A 29 -6.727 -5.805 -7.138 1.00 0.51 N ATOM 439 CA PHE A 29 -6.821 -6.423 -8.452 1.00 0.55 C ATOM 440 C PHE A 29 -5.461 -6.947 -8.899 1.00 0.50 C ATOM 441 O PHE A 29 -5.322 -7.504 -9.987 1.00 0.58 O ATOM 442 CB PHE A 29 -7.334 -5.413 -9.474 1.00 0.59 C ATOM 443 CG PHE A 29 -8.751 -4.986 -9.243 1.00 0.89 C ATOM 444 CD1 PHE A 29 -9.806 -5.776 -9.670 1.00 1.21 C ATOM 445 CD2 PHE A 29 -9.030 -3.787 -8.609 1.00 1.17 C ATOM 446 CE1 PHE A 29 -11.111 -5.376 -9.467 1.00 1.63 C ATOM 447 CE2 PHE A 29 -10.335 -3.386 -8.404 1.00 1.60 C ATOM 448 CZ PHE A 29 -11.376 -4.181 -8.832 1.00 1.78 C ATOM 0 H PHE A 29 -6.507 -4.809 -7.157 1.00 0.51 H new ATOM 0 HA PHE A 29 -7.518 -7.258 -8.385 1.00 0.55 H new ATOM 0 HB2 PHE A 29 -6.691 -4.533 -9.455 1.00 0.59 H new ATOM 0 HB3 PHE A 29 -7.253 -5.846 -10.471 1.00 0.59 H new ATOM 0 HD1 PHE A 29 -9.605 -6.714 -10.166 1.00 1.21 H new ATOM 0 HD2 PHE A 29 -8.219 -3.159 -8.272 1.00 1.17 H new ATOM 0 HE1 PHE A 29 -11.925 -5.999 -9.806 1.00 1.63 H new ATOM 0 HE2 PHE A 29 -10.540 -2.449 -7.908 1.00 1.60 H new ATOM 0 HZ PHE A 29 -12.397 -3.869 -8.670 1.00 1.78 H new ATOM 458 N CYS A 30 -4.461 -6.770 -8.047 1.00 0.46 N ATOM 459 CA CYS A 30 -3.114 -7.210 -8.353 1.00 0.44 C ATOM 460 C CYS A 30 -2.731 -8.403 -7.489 1.00 0.45 C ATOM 461 O CYS A 30 -2.629 -8.290 -6.263 1.00 0.44 O ATOM 462 CB CYS A 30 -2.127 -6.062 -8.138 1.00 0.41 C ATOM 463 SG CYS A 30 -0.398 -6.479 -8.478 1.00 0.48 S ATOM 0 H CYS A 30 -4.561 -6.323 -7.136 1.00 0.46 H new ATOM 0 HA CYS A 30 -3.078 -7.517 -9.398 1.00 0.44 H new ATOM 0 HB2 CYS A 30 -2.417 -5.227 -8.775 1.00 0.41 H new ATOM 0 HB3 CYS A 30 -2.208 -5.719 -7.106 1.00 0.41 H new ATOM 0 HG CYS A 30 -0.075 -6.058 -9.665 1.00 0.48 H new ATOM 469 N PRO A 31 -2.516 -9.570 -8.121 1.00 0.51 N ATOM 470 CA PRO A 31 -2.142 -10.797 -7.409 1.00 0.56 C ATOM 471 C PRO A 31 -0.820 -10.641 -6.664 1.00 0.50 C ATOM 472 O PRO A 31 -0.583 -11.289 -5.644 1.00 0.50 O ATOM 473 CB PRO A 31 -2.019 -11.844 -8.523 1.00 0.67 C ATOM 474 CG PRO A 31 -1.900 -11.078 -9.793 1.00 0.70 C ATOM 475 CD PRO A 31 -2.627 -9.787 -9.576 1.00 0.58 C ATOM 0 HA PRO A 31 -2.872 -11.067 -6.646 1.00 0.56 H new ATOM 0 HB2 PRO A 31 -1.147 -12.479 -8.367 1.00 0.67 H new ATOM 0 HB3 PRO A 31 -2.891 -12.498 -8.542 1.00 0.67 H new ATOM 0 HG2 PRO A 31 -0.854 -10.898 -10.042 1.00 0.70 H new ATOM 0 HG3 PRO A 31 -2.334 -11.634 -10.624 1.00 0.70 H new ATOM 0 HD2 PRO A 31 -2.174 -8.971 -10.139 1.00 0.58 H new ATOM 0 HD3 PRO A 31 -3.668 -9.854 -9.894 1.00 0.58 H new ATOM 483 N HIS A 32 0.028 -9.749 -7.162 1.00 0.49 N ATOM 484 CA HIS A 32 1.322 -9.504 -6.548 1.00 0.48 C ATOM 485 C HIS A 32 1.160 -8.828 -5.197 1.00 0.39 C ATOM 486 O HIS A 32 1.960 -9.046 -4.292 1.00 0.42 O ATOM 487 CB HIS A 32 2.202 -8.652 -7.458 1.00 0.57 C ATOM 488 CG HIS A 32 3.478 -9.331 -7.832 1.00 0.72 C ATOM 489 ND1 HIS A 32 3.520 -10.618 -8.313 1.00 1.63 N ATOM 490 CD2 HIS A 32 4.760 -8.906 -7.786 1.00 1.25 C ATOM 491 CE1 HIS A 32 4.767 -10.956 -8.544 1.00 1.74 C ATOM 492 NE2 HIS A 32 5.539 -9.939 -8.233 1.00 1.42 N ATOM 0 H HIS A 32 -0.160 -9.184 -7.990 1.00 0.49 H new ATOM 0 HA HIS A 32 1.808 -10.468 -6.398 1.00 0.48 H new ATOM 0 HB2 HIS A 32 1.648 -8.405 -8.364 1.00 0.57 H new ATOM 0 HB3 HIS A 32 2.430 -7.711 -6.958 1.00 0.57 H new ATOM 0 HD2 HIS A 32 5.104 -7.936 -7.459 1.00 1.25 H new ATOM 0 HE1 HIS A 32 5.102 -11.909 -8.925 1.00 1.74 H new ATOM 0 HE2 HIS A 32 6.556 -9.922 -8.312 1.00 1.42 H new ATOM 501 N CYS A 33 0.129 -8.003 -5.062 1.00 0.37 N ATOM 502 CA CYS A 33 -0.137 -7.326 -3.802 1.00 0.32 C ATOM 503 C CYS A 33 -0.666 -8.334 -2.793 1.00 0.32 C ATOM 504 O CYS A 33 -0.402 -8.236 -1.598 1.00 0.29 O ATOM 505 CB CYS A 33 -1.142 -6.194 -4.000 1.00 0.34 C ATOM 506 SG CYS A 33 -0.583 -4.907 -5.134 1.00 0.36 S ATOM 0 H CYS A 33 -0.533 -7.788 -5.807 1.00 0.37 H new ATOM 0 HA CYS A 33 0.790 -6.891 -3.428 1.00 0.32 H new ATOM 0 HB2 CYS A 33 -2.076 -6.613 -4.374 1.00 0.34 H new ATOM 0 HB3 CYS A 33 -1.360 -5.742 -3.032 1.00 0.34 H new ATOM 0 HG CYS A 33 -0.371 -5.425 -6.308 1.00 0.36 H new ATOM 512 N TYR A 34 -1.409 -9.313 -3.294 1.00 0.40 N ATOM 513 CA TYR A 34 -1.962 -10.365 -2.457 1.00 0.44 C ATOM 514 C TYR A 34 -0.821 -11.200 -1.899 1.00 0.41 C ATOM 515 O TYR A 34 -0.818 -11.572 -0.728 1.00 0.41 O ATOM 516 CB TYR A 34 -2.923 -11.236 -3.274 1.00 0.55 C ATOM 517 CG TYR A 34 -3.548 -12.371 -2.495 1.00 0.57 C ATOM 518 CD1 TYR A 34 -4.535 -12.130 -1.552 1.00 1.42 C ATOM 519 CD2 TYR A 34 -3.151 -13.682 -2.714 1.00 0.94 C ATOM 520 CE1 TYR A 34 -5.109 -13.167 -0.843 1.00 1.44 C ATOM 521 CE2 TYR A 34 -3.719 -14.723 -2.013 1.00 1.02 C ATOM 522 CZ TYR A 34 -4.697 -14.464 -1.078 1.00 0.73 C ATOM 523 OH TYR A 34 -5.260 -15.505 -0.373 1.00 0.85 O ATOM 0 H TYR A 34 -1.642 -9.398 -4.283 1.00 0.40 H new ATOM 0 HA TYR A 34 -2.523 -9.927 -1.632 1.00 0.44 H new ATOM 0 HB2 TYR A 34 -3.717 -10.605 -3.674 1.00 0.55 H new ATOM 0 HB3 TYR A 34 -2.385 -11.649 -4.127 1.00 0.55 H new ATOM 0 HD1 TYR A 34 -4.860 -11.116 -1.369 1.00 1.42 H new ATOM 0 HD2 TYR A 34 -2.384 -13.890 -3.446 1.00 0.94 H new ATOM 0 HE1 TYR A 34 -5.875 -12.965 -0.109 1.00 1.44 H new ATOM 0 HE2 TYR A 34 -3.399 -15.738 -2.196 1.00 1.02 H new ATOM 0 HH TYR A 34 -6.198 -15.298 -0.177 1.00 0.85 H new ATOM 533 N GLN A 35 0.164 -11.462 -2.746 1.00 0.44 N ATOM 534 CA GLN A 35 1.328 -12.239 -2.350 1.00 0.47 C ATOM 535 C GLN A 35 2.208 -11.445 -1.391 1.00 0.37 C ATOM 536 O GLN A 35 2.760 -11.996 -0.442 1.00 0.39 O ATOM 537 CB GLN A 35 2.147 -12.656 -3.571 1.00 0.61 C ATOM 538 CG GLN A 35 1.980 -14.120 -3.941 1.00 1.02 C ATOM 539 CD GLN A 35 2.990 -14.579 -4.971 1.00 1.41 C ATOM 540 OE1 GLN A 35 3.384 -13.823 -5.862 1.00 1.89 O ATOM 541 NE2 GLN A 35 3.430 -15.818 -4.845 1.00 2.27 N ATOM 0 H GLN A 35 0.179 -11.146 -3.716 1.00 0.44 H new ATOM 0 HA GLN A 35 0.970 -13.135 -1.843 1.00 0.47 H new ATOM 0 HB2 GLN A 35 1.857 -12.039 -4.421 1.00 0.61 H new ATOM 0 HB3 GLN A 35 3.201 -12.456 -3.377 1.00 0.61 H new ATOM 0 HG2 GLN A 35 2.078 -14.731 -3.044 1.00 1.02 H new ATOM 0 HG3 GLN A 35 0.974 -14.281 -4.328 1.00 1.02 H new ATOM 0 HE21 GLN A 35 3.078 -16.410 -4.093 1.00 2.27 H new ATOM 0 HE22 GLN A 35 4.122 -16.182 -5.500 1.00 2.27 H new ATOM 550 N PHE A 36 2.321 -10.148 -1.627 1.00 0.33 N ATOM 551 CA PHE A 36 3.143 -9.295 -0.781 1.00 0.29 C ATOM 552 C PHE A 36 2.509 -9.071 0.590 1.00 0.23 C ATOM 553 O PHE A 36 3.193 -8.674 1.527 1.00 0.29 O ATOM 554 CB PHE A 36 3.413 -7.957 -1.476 1.00 0.34 C ATOM 555 CG PHE A 36 4.761 -7.898 -2.147 1.00 0.45 C ATOM 556 CD1 PHE A 36 5.120 -8.852 -3.087 1.00 0.56 C ATOM 557 CD2 PHE A 36 5.673 -6.903 -1.825 1.00 0.64 C ATOM 558 CE1 PHE A 36 6.364 -8.815 -3.691 1.00 0.77 C ATOM 559 CE2 PHE A 36 6.916 -6.859 -2.430 1.00 0.83 C ATOM 560 CZ PHE A 36 7.264 -7.816 -3.363 1.00 0.87 C ATOM 0 H PHE A 36 1.856 -9.663 -2.394 1.00 0.33 H new ATOM 0 HA PHE A 36 4.091 -9.807 -0.619 1.00 0.29 H new ATOM 0 HB2 PHE A 36 2.636 -7.778 -2.219 1.00 0.34 H new ATOM 0 HB3 PHE A 36 3.344 -7.154 -0.743 1.00 0.34 H new ATOM 0 HD1 PHE A 36 4.421 -9.632 -3.350 1.00 0.56 H new ATOM 0 HD2 PHE A 36 5.409 -6.154 -1.093 1.00 0.64 H new ATOM 0 HE1 PHE A 36 6.633 -9.566 -4.419 1.00 0.77 H new ATOM 0 HE2 PHE A 36 7.614 -6.076 -2.173 1.00 0.83 H new ATOM 0 HZ PHE A 36 8.235 -7.785 -3.835 1.00 0.87 H new ATOM 570 N GLU A 37 1.212 -9.323 0.719 1.00 0.25 N ATOM 571 CA GLU A 37 0.551 -9.138 2.006 1.00 0.36 C ATOM 572 C GLU A 37 0.109 -10.468 2.623 1.00 0.30 C ATOM 573 O GLU A 37 0.636 -10.888 3.643 1.00 0.46 O ATOM 574 CB GLU A 37 -0.643 -8.195 1.865 1.00 0.54 C ATOM 575 CG GLU A 37 -0.528 -6.936 2.717 1.00 0.95 C ATOM 576 CD GLU A 37 0.057 -7.212 4.090 1.00 1.33 C ATOM 577 OE1 GLU A 37 -0.676 -7.722 4.962 1.00 1.87 O ATOM 578 OE2 GLU A 37 1.253 -6.929 4.305 1.00 1.89 O1- ATOM 0 H GLU A 37 0.607 -9.649 -0.034 1.00 0.25 H new ATOM 0 HA GLU A 37 1.280 -8.691 2.682 1.00 0.36 H new ATOM 0 HB2 GLU A 37 -0.747 -7.908 0.819 1.00 0.54 H new ATOM 0 HB3 GLU A 37 -1.552 -8.729 2.141 1.00 0.54 H new ATOM 0 HG2 GLU A 37 0.096 -6.208 2.200 1.00 0.95 H new ATOM 0 HG3 GLU A 37 -1.515 -6.487 2.830 1.00 0.95 H new ATOM 585 N GLU A 38 -0.833 -11.148 1.989 1.00 0.30 N ATOM 586 CA GLU A 38 -1.340 -12.416 2.511 1.00 0.37 C ATOM 587 C GLU A 38 -0.227 -13.456 2.643 1.00 0.34 C ATOM 588 O GLU A 38 -0.282 -14.343 3.495 1.00 0.50 O ATOM 589 CB GLU A 38 -2.454 -12.953 1.609 1.00 0.55 C ATOM 590 CG GLU A 38 -3.217 -14.130 2.203 1.00 0.99 C ATOM 591 CD GLU A 38 -3.913 -13.798 3.511 1.00 1.34 C ATOM 592 OE1 GLU A 38 -5.036 -13.258 3.472 1.00 2.00 O1- ATOM 593 OE2 GLU A 38 -3.349 -14.095 4.587 1.00 1.89 O ATOM 0 H GLU A 38 -1.264 -10.848 1.114 1.00 0.30 H new ATOM 0 HA GLU A 38 -1.742 -12.227 3.506 1.00 0.37 H new ATOM 0 HB2 GLU A 38 -3.157 -12.147 1.397 1.00 0.55 H new ATOM 0 HB3 GLU A 38 -2.021 -13.257 0.656 1.00 0.55 H new ATOM 0 HG2 GLU A 38 -3.959 -14.474 1.482 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -2.525 -14.956 2.367 1.00 0.99 H new ATOM 600 N VAL A 39 0.799 -13.336 1.814 1.00 0.33 N ATOM 601 CA VAL A 39 1.900 -14.286 1.852 1.00 0.37 C ATOM 602 C VAL A 39 3.107 -13.734 2.613 1.00 0.31 C ATOM 603 O VAL A 39 3.532 -14.321 3.605 1.00 0.43 O ATOM 604 CB VAL A 39 2.324 -14.704 0.432 1.00 0.48 C ATOM 605 CG1 VAL A 39 3.528 -15.636 0.465 1.00 0.58 C ATOM 606 CG2 VAL A 39 1.164 -15.363 -0.287 1.00 0.58 C ATOM 0 H VAL A 39 0.892 -12.599 1.115 1.00 0.33 H new ATOM 0 HA VAL A 39 1.536 -15.164 2.385 1.00 0.37 H new ATOM 0 HB VAL A 39 2.614 -13.805 -0.112 1.00 0.48 H new ATOM 0 HG11 VAL A 39 3.802 -15.913 -0.553 1.00 0.58 H new ATOM 0 HG12 VAL A 39 4.367 -15.130 0.942 1.00 0.58 H new ATOM 0 HG13 VAL A 39 3.278 -16.534 1.030 1.00 0.58 H new ATOM 0 HG21 VAL A 39 1.476 -15.654 -1.290 1.00 0.58 H new ATOM 0 HG22 VAL A 39 0.848 -16.248 0.266 1.00 0.58 H new ATOM 0 HG23 VAL A 39 0.332 -14.662 -0.355 1.00 0.58 H new ATOM 616 N LEU A 40 3.654 -12.613 2.150 1.00 0.24 N ATOM 617 CA LEU A 40 4.835 -12.020 2.780 1.00 0.24 C ATOM 618 C LEU A 40 4.487 -11.115 3.964 1.00 0.23 C ATOM 619 O LEU A 40 5.241 -11.040 4.931 1.00 0.27 O ATOM 620 CB LEU A 40 5.637 -11.228 1.743 1.00 0.26 C ATOM 621 CG LEU A 40 6.048 -12.011 0.496 1.00 0.31 C ATOM 622 CD1 LEU A 40 6.766 -11.098 -0.483 1.00 0.35 C ATOM 623 CD2 LEU A 40 6.929 -13.197 0.864 1.00 0.41 C ATOM 0 H LEU A 40 3.301 -12.097 1.344 1.00 0.24 H new ATOM 0 HA LEU A 40 5.433 -12.844 3.171 1.00 0.24 H new ATOM 0 HB2 LEU A 40 5.046 -10.366 1.432 1.00 0.26 H new ATOM 0 HB3 LEU A 40 6.537 -10.842 2.222 1.00 0.26 H new ATOM 0 HG LEU A 40 5.146 -12.396 0.020 1.00 0.31 H new ATOM 0 HD11 LEU A 40 7.054 -11.667 -1.367 1.00 0.35 H new ATOM 0 HD12 LEU A 40 6.102 -10.284 -0.775 1.00 0.35 H new ATOM 0 HD13 LEU A 40 7.658 -10.687 -0.010 1.00 0.35 H new ATOM 0 HD21 LEU A 40 7.208 -13.738 -0.040 1.00 0.41 H new ATOM 0 HD22 LEU A 40 7.829 -12.840 1.365 1.00 0.41 H new ATOM 0 HD23 LEU A 40 6.382 -13.863 1.531 1.00 0.41 H new ATOM 635 N HIS A 41 3.347 -10.434 3.874 1.00 0.20 N ATOM 636 CA HIS A 41 2.893 -9.506 4.920 1.00 0.23 C ATOM 637 C HIS A 41 3.889 -8.369 5.092 1.00 0.22 C ATOM 638 O HIS A 41 4.254 -8.007 6.211 1.00 0.28 O ATOM 639 CB HIS A 41 2.675 -10.224 6.258 1.00 0.30 C ATOM 640 CG HIS A 41 1.259 -10.643 6.505 1.00 0.42 C ATOM 641 ND1 HIS A 41 0.167 -9.837 6.252 1.00 0.82 N ATOM 642 CD2 HIS A 41 0.757 -11.803 6.992 1.00 0.62 C ATOM 643 CE1 HIS A 41 -0.937 -10.478 6.579 1.00 0.84 C ATOM 644 NE2 HIS A 41 -0.610 -11.673 7.028 1.00 0.68 N ATOM 0 H HIS A 41 2.711 -10.506 3.080 1.00 0.20 H new ATOM 0 HA HIS A 41 1.935 -9.096 4.601 1.00 0.23 H new ATOM 0 HB2 HIS A 41 3.315 -11.106 6.293 1.00 0.30 H new ATOM 0 HB3 HIS A 41 2.994 -9.567 7.067 1.00 0.30 H new ATOM 0 HD1 HIS A 41 0.208 -8.892 5.871 1.00 0.82 H new ATOM 0 HD2 HIS A 41 1.326 -12.669 7.296 1.00 0.62 H new ATOM 0 HE1 HIS A 41 -1.941 -10.089 6.493 1.00 0.84 H new ATOM 653 N ILE A 42 4.311 -7.806 3.965 1.00 0.23 N ATOM 654 CA ILE A 42 5.273 -6.717 3.952 1.00 0.26 C ATOM 655 C ILE A 42 4.759 -5.523 4.745 1.00 0.27 C ATOM 656 O ILE A 42 5.457 -5.002 5.616 1.00 0.31 O ATOM 657 CB ILE A 42 5.593 -6.276 2.506 1.00 0.32 C ATOM 658 CG1 ILE A 42 6.263 -7.423 1.736 1.00 0.36 C ATOM 659 CG2 ILE A 42 6.479 -5.034 2.498 1.00 0.37 C ATOM 660 CD1 ILE A 42 7.595 -7.849 2.313 1.00 0.41 C ATOM 0 H ILE A 42 3.995 -8.093 3.039 1.00 0.23 H new ATOM 0 HA ILE A 42 6.186 -7.086 4.420 1.00 0.26 H new ATOM 0 HB ILE A 42 4.656 -6.023 2.010 1.00 0.32 H new ATOM 0 HG12 ILE A 42 5.591 -8.281 1.724 1.00 0.36 H new ATOM 0 HG13 ILE A 42 6.407 -7.117 0.700 1.00 0.36 H new ATOM 0 HG21 ILE A 42 6.690 -4.744 1.469 1.00 0.37 H new ATOM 0 HG22 ILE A 42 5.966 -4.218 3.007 1.00 0.37 H new ATOM 0 HG23 ILE A 42 7.415 -5.251 3.013 1.00 0.37 H new ATOM 0 HD11 ILE A 42 8.007 -8.663 1.716 1.00 0.41 H new ATOM 0 HD12 ILE A 42 8.284 -7.005 2.300 1.00 0.41 H new ATOM 0 HD13 ILE A 42 7.455 -8.187 3.340 1.00 0.41 H new ATOM 672 N SER A 43 3.528 -5.123 4.468 1.00 0.33 N ATOM 673 CA SER A 43 2.928 -3.986 5.143 1.00 0.39 C ATOM 674 C SER A 43 2.770 -4.248 6.636 1.00 0.38 C ATOM 675 O SER A 43 3.115 -3.406 7.469 1.00 0.45 O ATOM 676 CB SER A 43 1.568 -3.668 4.522 1.00 0.50 C ATOM 677 OG SER A 43 1.610 -3.807 3.109 1.00 1.03 O ATOM 0 H SER A 43 2.925 -5.571 3.778 1.00 0.33 H new ATOM 0 HA SER A 43 3.592 -3.131 5.019 1.00 0.39 H new ATOM 0 HB2 SER A 43 0.811 -4.335 4.934 1.00 0.50 H new ATOM 0 HB3 SER A 43 1.274 -2.651 4.783 1.00 0.50 H new ATOM 0 HG SER A 43 2.343 -3.265 2.749 1.00 1.03 H new ATOM 683 N ASP A 44 2.266 -5.426 6.971 1.00 0.37 N ATOM 684 CA ASP A 44 2.051 -5.795 8.364 1.00 0.44 C ATOM 685 C ASP A 44 3.369 -5.905 9.131 1.00 0.41 C ATOM 686 O ASP A 44 3.436 -5.602 10.323 1.00 0.52 O ATOM 687 CB ASP A 44 1.293 -7.117 8.448 1.00 0.51 C ATOM 688 CG ASP A 44 0.664 -7.331 9.809 1.00 0.92 C ATOM 689 OD1 ASP A 44 -0.324 -6.637 10.126 1.00 1.43 O1- ATOM 690 OD2 ASP A 44 1.155 -8.191 10.572 1.00 1.73 O ATOM 0 H ASP A 44 1.998 -6.144 6.298 1.00 0.37 H new ATOM 0 HA ASP A 44 1.459 -5.004 8.825 1.00 0.44 H new ATOM 0 HB2 ASP A 44 0.516 -7.138 7.684 1.00 0.51 H new ATOM 0 HB3 ASP A 44 1.975 -7.939 8.232 1.00 0.51 H new ATOM 695 N ASN A 45 4.417 -6.341 8.444 1.00 0.33 N ATOM 696 CA ASN A 45 5.730 -6.491 9.065 1.00 0.37 C ATOM 697 C ASN A 45 6.394 -5.135 9.260 1.00 0.39 C ATOM 698 O ASN A 45 6.999 -4.875 10.304 1.00 0.48 O ATOM 699 CB ASN A 45 6.630 -7.391 8.218 1.00 0.38 C ATOM 700 CG ASN A 45 7.556 -8.235 9.071 1.00 0.68 C ATOM 701 OD1 ASN A 45 8.638 -7.795 9.457 1.00 1.19 O ATOM 702 ND2 ASN A 45 7.131 -9.450 9.375 1.00 1.12 N ATOM 0 H ASN A 45 4.385 -6.597 7.457 1.00 0.33 H new ATOM 0 HA ASN A 45 5.586 -6.955 10.041 1.00 0.37 H new ATOM 0 HB2 ASN A 45 6.012 -8.043 7.600 1.00 0.38 H new ATOM 0 HB3 ASN A 45 7.222 -6.776 7.540 1.00 0.38 H new ATOM 0 HD21 ASN A 45 7.708 -10.063 9.951 1.00 1.12 H new ATOM 0 HD22 ASN A 45 6.226 -9.774 9.033 1.00 1.12 H new ATOM 709 N VAL A 46 6.274 -4.278 8.249 1.00 0.33 N ATOM 710 CA VAL A 46 6.848 -2.937 8.302 1.00 0.36 C ATOM 711 C VAL A 46 6.258 -2.146 9.466 1.00 0.43 C ATOM 712 O VAL A 46 6.977 -1.454 10.185 1.00 0.49 O ATOM 713 CB VAL A 46 6.619 -2.175 6.972 1.00 0.33 C ATOM 714 CG1 VAL A 46 6.833 -0.676 7.144 1.00 0.43 C ATOM 715 CG2 VAL A 46 7.549 -2.709 5.898 1.00 0.31 C ATOM 0 H VAL A 46 5.783 -4.490 7.381 1.00 0.33 H new ATOM 0 HA VAL A 46 7.922 -3.043 8.454 1.00 0.36 H new ATOM 0 HB VAL A 46 5.584 -2.336 6.669 1.00 0.33 H new ATOM 0 HG11 VAL A 46 6.664 -0.173 6.192 1.00 0.43 H new ATOM 0 HG12 VAL A 46 6.134 -0.292 7.887 1.00 0.43 H new ATOM 0 HG13 VAL A 46 7.854 -0.490 7.477 1.00 0.43 H new ATOM 0 HG21 VAL A 46 7.380 -2.167 4.968 1.00 0.31 H new ATOM 0 HG22 VAL A 46 8.584 -2.575 6.213 1.00 0.31 H new ATOM 0 HG23 VAL A 46 7.352 -3.769 5.741 1.00 0.31 H new ATOM 725 N LYS A 47 4.953 -2.289 9.667 1.00 0.46 N ATOM 726 CA LYS A 47 4.246 -1.592 10.739 1.00 0.56 C ATOM 727 C LYS A 47 4.872 -1.853 12.109 1.00 0.60 C ATOM 728 O LYS A 47 4.959 -0.952 12.944 1.00 0.70 O ATOM 729 CB LYS A 47 2.786 -2.039 10.780 1.00 0.61 C ATOM 730 CG LYS A 47 1.900 -1.389 9.736 1.00 0.70 C ATOM 731 CD LYS A 47 0.451 -1.824 9.900 1.00 0.88 C ATOM 732 CE LYS A 47 -0.481 -1.046 8.980 1.00 1.14 C ATOM 733 NZ LYS A 47 -1.910 -1.201 9.369 1.00 1.53 N1+ ATOM 0 H LYS A 47 4.356 -2.888 9.096 1.00 0.46 H new ATOM 0 HA LYS A 47 4.317 -0.526 10.524 1.00 0.56 H new ATOM 0 HB2 LYS A 47 2.747 -3.120 10.649 1.00 0.61 H new ATOM 0 HB3 LYS A 47 2.380 -1.822 11.768 1.00 0.61 H new ATOM 0 HG2 LYS A 47 1.969 -0.304 9.820 1.00 0.70 H new ATOM 0 HG3 LYS A 47 2.252 -1.655 8.739 1.00 0.70 H new ATOM 0 HD2 LYS A 47 0.365 -2.890 9.687 1.00 0.88 H new ATOM 0 HD3 LYS A 47 0.143 -1.680 10.936 1.00 0.88 H new ATOM 0 HE2 LYS A 47 -0.212 0.010 9.002 1.00 1.14 H new ATOM 0 HE3 LYS A 47 -0.346 -1.388 7.954 1.00 1.14 H new ATOM 0 HZ1 LYS A 47 -2.485 -0.494 8.868 1.00 1.53 H new ATOM 0 HZ2 LYS A 47 -2.237 -2.155 9.117 1.00 1.53 H new ATOM 0 HZ3 LYS A 47 -2.008 -1.062 10.395 1.00 1.53 H new ATOM 747 N LYS A 48 5.317 -3.079 12.333 1.00 0.55 N ATOM 748 CA LYS A 48 5.900 -3.457 13.617 1.00 0.62 C ATOM 749 C LYS A 48 7.342 -2.983 13.768 1.00 0.61 C ATOM 750 O LYS A 48 7.900 -3.037 14.864 1.00 0.77 O ATOM 751 CB LYS A 48 5.818 -4.974 13.806 1.00 0.71 C ATOM 752 CG LYS A 48 4.395 -5.479 13.973 1.00 0.83 C ATOM 753 CD LYS A 48 4.336 -6.993 14.059 1.00 0.98 C ATOM 754 CE LYS A 48 3.613 -7.586 12.862 1.00 1.52 C ATOM 755 NZ LYS A 48 2.250 -7.014 12.688 1.00 2.02 N1+ ATOM 0 H LYS A 48 5.287 -3.831 11.645 1.00 0.55 H new ATOM 0 HA LYS A 48 5.318 -2.959 14.393 1.00 0.62 H new ATOM 0 HB2 LYS A 48 6.273 -5.466 12.946 1.00 0.71 H new ATOM 0 HB3 LYS A 48 6.402 -5.257 14.681 1.00 0.71 H new ATOM 0 HG2 LYS A 48 3.961 -5.047 14.875 1.00 0.83 H new ATOM 0 HG3 LYS A 48 3.789 -5.140 13.133 1.00 0.83 H new ATOM 0 HD2 LYS A 48 5.347 -7.396 14.112 1.00 0.98 H new ATOM 0 HD3 LYS A 48 3.827 -7.288 14.977 1.00 0.98 H new ATOM 0 HE2 LYS A 48 4.198 -7.406 11.960 1.00 1.52 H new ATOM 0 HE3 LYS A 48 3.539 -8.667 12.983 1.00 1.52 H new ATOM 0 HZ1 LYS A 48 1.637 -7.713 12.221 1.00 2.02 H new ATOM 0 HZ2 LYS A 48 1.853 -6.773 13.619 1.00 2.02 H new ATOM 0 HZ3 LYS A 48 2.306 -6.156 12.103 1.00 2.02 H new ATOM 769 N LYS A 49 7.942 -2.513 12.689 1.00 0.53 N ATOM 770 CA LYS A 49 9.314 -2.036 12.740 1.00 0.54 C ATOM 771 C LYS A 49 9.396 -0.571 12.331 1.00 0.52 C ATOM 772 O LYS A 49 10.462 -0.076 11.962 1.00 0.64 O ATOM 773 CB LYS A 49 10.209 -2.897 11.851 1.00 0.58 C ATOM 774 CG LYS A 49 10.735 -4.138 12.557 1.00 0.78 C ATOM 775 CD LYS A 49 11.735 -4.895 11.696 1.00 0.87 C ATOM 776 CE LYS A 49 11.040 -5.787 10.680 1.00 1.19 C ATOM 777 NZ LYS A 49 10.408 -6.975 11.316 1.00 1.44 N1+ ATOM 0 H LYS A 49 7.504 -2.451 11.770 1.00 0.53 H new ATOM 0 HA LYS A 49 9.667 -2.117 13.768 1.00 0.54 H new ATOM 0 HB2 LYS A 49 9.649 -3.200 10.966 1.00 0.58 H new ATOM 0 HB3 LYS A 49 11.052 -2.298 11.505 1.00 0.58 H new ATOM 0 HG2 LYS A 49 11.208 -3.849 13.496 1.00 0.78 H new ATOM 0 HG3 LYS A 49 9.902 -4.794 12.809 1.00 0.78 H new ATOM 0 HD2 LYS A 49 12.379 -4.185 11.177 1.00 0.87 H new ATOM 0 HD3 LYS A 49 12.378 -5.502 12.333 1.00 0.87 H new ATOM 0 HE2 LYS A 49 10.279 -5.211 10.153 1.00 1.19 H new ATOM 0 HE3 LYS A 49 11.763 -6.117 9.934 1.00 1.19 H new ATOM 0 HZ1 LYS A 49 9.479 -7.148 10.882 1.00 1.44 H new ATOM 0 HZ2 LYS A 49 11.015 -7.808 11.177 1.00 1.44 H new ATOM 0 HZ3 LYS A 49 10.288 -6.801 12.334 1.00 1.44 H new ATOM 791 N LEU A 50 8.265 0.118 12.405 1.00 0.53 N ATOM 792 CA LEU A 50 8.203 1.529 12.053 1.00 0.54 C ATOM 793 C LEU A 50 8.488 2.398 13.275 1.00 0.54 C ATOM 794 O LEU A 50 7.988 2.120 14.370 1.00 0.59 O ATOM 795 CB LEU A 50 6.830 1.893 11.477 1.00 0.60 C ATOM 796 CG LEU A 50 6.650 1.618 9.981 1.00 0.64 C ATOM 797 CD1 LEU A 50 5.287 2.100 9.517 1.00 1.00 C ATOM 798 CD2 LEU A 50 7.757 2.279 9.173 1.00 0.91 C ATOM 0 H LEU A 50 7.376 -0.280 12.707 1.00 0.53 H new ATOM 0 HA LEU A 50 8.962 1.714 11.293 1.00 0.54 H new ATOM 0 HB2 LEU A 50 6.067 1.340 12.025 1.00 0.60 H new ATOM 0 HB3 LEU A 50 6.648 2.952 11.659 1.00 0.60 H new ATOM 0 HG LEU A 50 6.711 0.542 9.819 1.00 0.64 H new ATOM 0 HD11 LEU A 50 5.173 1.898 8.452 1.00 1.00 H new ATOM 0 HD12 LEU A 50 4.508 1.576 10.071 1.00 1.00 H new ATOM 0 HD13 LEU A 50 5.200 3.172 9.694 1.00 1.00 H new ATOM 0 HD21 LEU A 50 7.609 2.070 8.114 1.00 0.91 H new ATOM 0 HD22 LEU A 50 7.734 3.356 9.337 1.00 0.91 H new ATOM 0 HD23 LEU A 50 8.723 1.885 9.489 1.00 0.91 H new ATOM 810 N PRO A 51 9.308 3.447 13.109 1.00 0.57 N ATOM 811 CA PRO A 51 9.646 4.365 14.202 1.00 0.64 C ATOM 812 C PRO A 51 8.413 5.097 14.732 1.00 0.63 C ATOM 813 O PRO A 51 7.427 5.279 14.016 1.00 0.66 O ATOM 814 CB PRO A 51 10.630 5.354 13.564 1.00 0.73 C ATOM 815 CG PRO A 51 11.101 4.701 12.310 1.00 0.74 C ATOM 816 CD PRO A 51 9.976 3.822 11.852 1.00 0.61 C ATOM 0 HA PRO A 51 10.063 3.840 15.061 1.00 0.64 H new ATOM 0 HB2 PRO A 51 10.145 6.307 13.351 1.00 0.73 H new ATOM 0 HB3 PRO A 51 11.464 5.564 14.234 1.00 0.73 H new ATOM 0 HG2 PRO A 51 11.348 5.445 11.552 1.00 0.74 H new ATOM 0 HG3 PRO A 51 12.004 4.117 12.490 1.00 0.74 H new ATOM 0 HD2 PRO A 51 9.301 4.350 11.179 1.00 0.61 H new ATOM 0 HD3 PRO A 51 10.342 2.947 11.314 1.00 0.61 H new ATOM 824 N GLU A 52 8.472 5.505 15.991 1.00 0.71 N ATOM 825 CA GLU A 52 7.362 6.207 16.620 1.00 0.76 C ATOM 826 C GLU A 52 7.162 7.580 15.987 1.00 0.75 C ATOM 827 O GLU A 52 8.084 8.396 15.938 1.00 0.82 O ATOM 828 CB GLU A 52 7.605 6.346 18.123 1.00 0.88 C ATOM 829 CG GLU A 52 7.836 5.017 18.825 1.00 1.52 C ATOM 830 CD GLU A 52 7.576 5.091 20.311 1.00 1.98 C ATOM 831 OE1 GLU A 52 8.476 5.544 21.057 1.00 2.38 O1- ATOM 832 OE2 GLU A 52 6.469 4.698 20.740 1.00 2.63 O ATOM 0 H GLU A 52 9.279 5.362 16.599 1.00 0.71 H new ATOM 0 HA GLU A 52 6.455 5.623 16.464 1.00 0.76 H new ATOM 0 HB2 GLU A 52 8.470 6.989 18.285 1.00 0.88 H new ATOM 0 HB3 GLU A 52 6.748 6.844 18.577 1.00 0.88 H new ATOM 0 HG2 GLU A 52 7.188 4.260 18.384 1.00 1.52 H new ATOM 0 HG3 GLU A 52 8.863 4.695 18.655 1.00 1.52 H new ATOM 839 N GLY A 53 5.956 7.816 15.492 1.00 0.76 N ATOM 840 CA GLY A 53 5.641 9.079 14.860 1.00 0.77 C ATOM 841 C GLY A 53 5.543 8.939 13.358 1.00 0.72 C ATOM 842 O GLY A 53 5.076 9.844 12.665 1.00 0.82 O ATOM 0 H GLY A 53 5.185 7.149 15.518 1.00 0.76 H new ATOM 0 HA2 GLY A 53 4.698 9.458 15.253 1.00 0.77 H new ATOM 0 HA3 GLY A 53 6.408 9.813 15.109 1.00 0.77 H new ATOM 846 N VAL A 54 5.986 7.798 12.855 1.00 0.69 N ATOM 847 CA VAL A 54 5.946 7.529 11.432 1.00 0.65 C ATOM 848 C VAL A 54 4.613 6.894 11.049 1.00 0.65 C ATOM 849 O VAL A 54 4.281 5.796 11.497 1.00 0.74 O ATOM 850 CB VAL A 54 7.108 6.607 10.997 1.00 0.64 C ATOM 851 CG1 VAL A 54 6.983 6.229 9.531 1.00 0.85 C ATOM 852 CG2 VAL A 54 8.446 7.279 11.263 1.00 1.03 C ATOM 0 H VAL A 54 6.379 7.042 13.416 1.00 0.69 H new ATOM 0 HA VAL A 54 6.055 8.482 10.914 1.00 0.65 H new ATOM 0 HB VAL A 54 7.055 5.692 11.587 1.00 0.64 H new ATOM 0 HG11 VAL A 54 7.813 5.580 9.251 1.00 0.85 H new ATOM 0 HG12 VAL A 54 6.041 5.704 9.370 1.00 0.85 H new ATOM 0 HG13 VAL A 54 7.005 7.131 8.920 1.00 0.85 H new ATOM 0 HG21 VAL A 54 9.254 6.617 10.951 1.00 1.03 H new ATOM 0 HG22 VAL A 54 8.503 8.211 10.701 1.00 1.03 H new ATOM 0 HG23 VAL A 54 8.541 7.491 12.328 1.00 1.03 H new ATOM 862 N LYS A 55 3.848 7.603 10.236 1.00 0.64 N ATOM 863 CA LYS A 55 2.553 7.121 9.784 1.00 0.66 C ATOM 864 C LYS A 55 2.691 6.369 8.464 1.00 0.58 C ATOM 865 O LYS A 55 3.455 6.772 7.584 1.00 0.61 O ATOM 866 CB LYS A 55 1.583 8.292 9.614 1.00 0.76 C ATOM 867 CG LYS A 55 0.194 7.870 9.156 1.00 1.35 C ATOM 868 CD LYS A 55 -0.581 9.039 8.574 1.00 1.43 C ATOM 869 CE LYS A 55 -2.007 8.644 8.231 1.00 2.21 C ATOM 870 NZ LYS A 55 -2.787 8.250 9.435 1.00 2.51 N1+ ATOM 0 H LYS A 55 4.104 8.521 9.873 1.00 0.64 H new ATOM 0 HA LYS A 55 2.160 6.438 10.537 1.00 0.66 H new ATOM 0 HB2 LYS A 55 1.498 8.823 10.562 1.00 0.76 H new ATOM 0 HB3 LYS A 55 1.997 8.994 8.891 1.00 0.76 H new ATOM 0 HG2 LYS A 55 0.281 7.082 8.408 1.00 1.35 H new ATOM 0 HG3 LYS A 55 -0.356 7.451 9.999 1.00 1.35 H new ATOM 0 HD2 LYS A 55 -0.592 9.862 9.289 1.00 1.43 H new ATOM 0 HD3 LYS A 55 -0.077 9.402 7.678 1.00 1.43 H new ATOM 0 HE2 LYS A 55 -2.504 9.478 7.735 1.00 2.21 H new ATOM 0 HE3 LYS A 55 -1.992 7.816 7.523 1.00 2.21 H new ATOM 0 HZ1 LYS A 55 -3.802 8.252 9.207 1.00 2.51 H new ATOM 0 HZ2 LYS A 55 -2.502 7.297 9.737 1.00 2.51 H new ATOM 0 HZ3 LYS A 55 -2.604 8.926 10.204 1.00 2.51 H new ATOM 884 N MET A 56 1.949 5.278 8.334 1.00 0.55 N ATOM 885 CA MET A 56 1.982 4.477 7.122 1.00 0.50 C ATOM 886 C MET A 56 0.776 4.792 6.251 1.00 0.47 C ATOM 887 O MET A 56 -0.369 4.608 6.668 1.00 0.59 O ATOM 888 CB MET A 56 2.001 2.990 7.453 1.00 0.57 C ATOM 889 CG MET A 56 2.457 2.134 6.288 1.00 0.85 C ATOM 890 SD MET A 56 2.109 0.386 6.535 1.00 1.09 S ATOM 891 CE MET A 56 2.965 -0.310 5.127 1.00 1.28 C ATOM 0 H MET A 56 1.317 4.929 9.054 1.00 0.55 H new ATOM 0 HA MET A 56 2.894 4.724 6.579 1.00 0.50 H new ATOM 0 HB2 MET A 56 2.662 2.820 8.303 1.00 0.57 H new ATOM 0 HB3 MET A 56 1.002 2.678 7.758 1.00 0.57 H new ATOM 0 HG2 MET A 56 1.963 2.474 5.377 1.00 0.85 H new ATOM 0 HG3 MET A 56 3.528 2.270 6.140 1.00 0.85 H new ATOM 0 HE1 MET A 56 2.244 -0.783 4.460 1.00 1.28 H new ATOM 0 HE2 MET A 56 3.489 0.482 4.592 1.00 1.28 H new ATOM 0 HE3 MET A 56 3.685 -1.053 5.470 1.00 1.28 H new ATOM 901 N THR A 57 1.035 5.273 5.051 1.00 0.42 N ATOM 902 CA THR A 57 -0.030 5.620 4.130 1.00 0.43 C ATOM 903 C THR A 57 -0.133 4.604 2.996 1.00 0.41 C ATOM 904 O THR A 57 0.651 4.636 2.044 1.00 0.47 O ATOM 905 CB THR A 57 0.185 7.028 3.542 1.00 0.48 C ATOM 906 OG1 THR A 57 1.535 7.461 3.775 1.00 0.60 O ATOM 907 CG2 THR A 57 -0.783 8.022 4.162 1.00 0.61 C ATOM 0 H THR A 57 1.976 5.433 4.690 1.00 0.42 H new ATOM 0 HA THR A 57 -0.962 5.610 4.696 1.00 0.43 H new ATOM 0 HB THR A 57 0.001 6.981 2.469 1.00 0.48 H new ATOM 0 HG1 THR A 57 2.156 6.745 3.525 1.00 0.60 H new ATOM 0 HG21 THR A 57 -0.614 9.010 3.733 1.00 0.61 H new ATOM 0 HG22 THR A 57 -1.807 7.708 3.959 1.00 0.61 H new ATOM 0 HG23 THR A 57 -0.623 8.062 5.239 1.00 0.61 H new ATOM 915 N LYS A 58 -1.087 3.690 3.120 1.00 0.39 N ATOM 916 CA LYS A 58 -1.323 2.665 2.109 1.00 0.39 C ATOM 917 C LYS A 58 -2.323 3.200 1.093 1.00 0.37 C ATOM 918 O LYS A 58 -3.497 3.366 1.408 1.00 0.43 O ATOM 919 CB LYS A 58 -1.862 1.396 2.781 1.00 0.47 C ATOM 920 CG LYS A 58 -1.731 0.134 1.941 1.00 0.77 C ATOM 921 CD LYS A 58 -2.228 -1.089 2.703 1.00 0.84 C ATOM 922 CE LYS A 58 -2.001 -2.378 1.924 1.00 0.86 C ATOM 923 NZ LYS A 58 -0.568 -2.773 1.889 1.00 0.70 N1+ ATOM 0 H LYS A 58 -1.717 3.637 3.920 1.00 0.39 H new ATOM 0 HA LYS A 58 -0.392 2.416 1.599 1.00 0.39 H new ATOM 0 HB2 LYS A 58 -1.335 1.247 3.723 1.00 0.47 H new ATOM 0 HB3 LYS A 58 -2.913 1.548 3.025 1.00 0.47 H new ATOM 0 HG2 LYS A 58 -2.300 0.247 1.018 1.00 0.77 H new ATOM 0 HG3 LYS A 58 -0.689 -0.010 1.657 1.00 0.77 H new ATOM 0 HD2 LYS A 58 -1.716 -1.151 3.663 1.00 0.84 H new ATOM 0 HD3 LYS A 58 -3.291 -0.976 2.916 1.00 0.84 H new ATOM 0 HE2 LYS A 58 -2.585 -3.180 2.375 1.00 0.86 H new ATOM 0 HE3 LYS A 58 -2.366 -2.252 0.905 1.00 0.86 H new ATOM 0 HZ1 LYS A 58 -0.405 -3.417 1.089 1.00 0.70 H new ATOM 0 HZ2 LYS A 58 0.023 -1.925 1.777 1.00 0.70 H new ATOM 0 HZ3 LYS A 58 -0.319 -3.254 2.777 1.00 0.70 H new ATOM 937 N TYR A 59 -1.851 3.488 -0.111 1.00 0.36 N ATOM 938 CA TYR A 59 -2.706 4.044 -1.160 1.00 0.39 C ATOM 939 C TYR A 59 -3.024 3.013 -2.244 1.00 0.37 C ATOM 940 O TYR A 59 -2.260 2.073 -2.482 1.00 0.36 O ATOM 941 CB TYR A 59 -2.031 5.276 -1.783 1.00 0.45 C ATOM 942 CG TYR A 59 -2.132 6.541 -0.945 1.00 0.48 C ATOM 943 CD1 TYR A 59 -2.637 6.509 0.350 1.00 0.56 C ATOM 944 CD2 TYR A 59 -1.728 7.767 -1.457 1.00 0.52 C ATOM 945 CE1 TYR A 59 -2.736 7.658 1.107 1.00 0.62 C ATOM 946 CE2 TYR A 59 -1.824 8.925 -0.703 1.00 0.60 C ATOM 947 CZ TYR A 59 -2.328 8.862 0.578 1.00 0.62 C ATOM 948 OH TYR A 59 -2.428 10.010 1.335 1.00 0.71 O ATOM 0 H TYR A 59 -0.880 3.347 -0.390 1.00 0.36 H new ATOM 0 HA TYR A 59 -3.650 4.336 -0.700 1.00 0.39 H new ATOM 0 HB2 TYR A 59 -0.978 5.051 -1.953 1.00 0.45 H new ATOM 0 HB3 TYR A 59 -2.478 5.465 -2.759 1.00 0.45 H new ATOM 0 HD1 TYR A 59 -2.958 5.567 0.771 1.00 0.56 H new ATOM 0 HD2 TYR A 59 -1.332 7.818 -2.460 1.00 0.52 H new ATOM 0 HE1 TYR A 59 -3.132 7.613 2.111 1.00 0.62 H new ATOM 0 HE2 TYR A 59 -1.506 9.871 -1.116 1.00 0.60 H new ATOM 0 HH TYR A 59 -2.931 10.688 0.837 1.00 0.71 H new ATOM 958 N HIS A 60 -4.165 3.196 -2.894 1.00 0.39 N ATOM 959 CA HIS A 60 -4.609 2.302 -3.952 1.00 0.40 C ATOM 960 C HIS A 60 -4.265 2.887 -5.321 1.00 0.42 C ATOM 961 O HIS A 60 -4.522 4.057 -5.582 1.00 0.46 O ATOM 962 CB HIS A 60 -6.124 2.069 -3.843 1.00 0.44 C ATOM 963 CG HIS A 60 -6.654 1.099 -4.855 1.00 0.46 C ATOM 964 ND1 HIS A 60 -7.505 1.449 -5.879 1.00 0.49 N ATOM 965 CD2 HIS A 60 -6.417 -0.221 -5.007 1.00 0.54 C ATOM 966 CE1 HIS A 60 -7.765 0.386 -6.617 1.00 0.51 C ATOM 967 NE2 HIS A 60 -7.115 -0.648 -6.112 1.00 0.57 N ATOM 0 H HIS A 60 -4.806 3.966 -2.703 1.00 0.39 H new ATOM 0 HA HIS A 60 -4.095 1.347 -3.842 1.00 0.40 H new ATOM 0 HB2 HIS A 60 -6.356 1.702 -2.843 1.00 0.44 H new ATOM 0 HB3 HIS A 60 -6.640 3.022 -3.960 1.00 0.44 H new ATOM 0 HD1 HIS A 60 -7.877 2.385 -6.042 1.00 0.49 H new ATOM 0 HD2 HIS A 60 -5.791 -0.832 -4.374 1.00 0.54 H new ATOM 0 HE1 HIS A 60 -8.403 0.365 -7.488 1.00 0.51 H new ATOM 976 N VAL A 61 -3.677 2.071 -6.191 1.00 0.44 N ATOM 977 CA VAL A 61 -3.313 2.524 -7.531 1.00 0.48 C ATOM 978 C VAL A 61 -4.530 2.498 -8.456 1.00 0.49 C ATOM 979 O VAL A 61 -5.479 1.749 -8.219 1.00 0.51 O ATOM 980 CB VAL A 61 -2.183 1.667 -8.144 1.00 0.52 C ATOM 981 CG1 VAL A 61 -1.035 1.522 -7.161 1.00 0.68 C ATOM 982 CG2 VAL A 61 -2.697 0.303 -8.563 1.00 0.55 C ATOM 0 H VAL A 61 -3.443 1.098 -5.994 1.00 0.44 H new ATOM 0 HA VAL A 61 -2.949 3.547 -7.433 1.00 0.48 H new ATOM 0 HB VAL A 61 -1.818 2.178 -9.035 1.00 0.52 H new ATOM 0 HG11 VAL A 61 -0.247 0.916 -7.608 1.00 0.68 H new ATOM 0 HG12 VAL A 61 -0.639 2.508 -6.916 1.00 0.68 H new ATOM 0 HG13 VAL A 61 -1.393 1.039 -6.252 1.00 0.68 H new ATOM 0 HG21 VAL A 61 -1.880 -0.278 -8.991 1.00 0.55 H new ATOM 0 HG22 VAL A 61 -3.096 -0.218 -7.693 1.00 0.55 H new ATOM 0 HG23 VAL A 61 -3.485 0.424 -9.307 1.00 0.55 H new ATOM 992 N ASN A 62 -4.490 3.296 -9.514 1.00 0.54 N ATOM 993 CA ASN A 62 -5.605 3.372 -10.451 1.00 0.57 C ATOM 994 C ASN A 62 -5.223 2.877 -11.839 1.00 0.58 C ATOM 995 O ASN A 62 -5.842 3.261 -12.828 1.00 0.76 O ATOM 996 CB ASN A 62 -6.111 4.814 -10.540 1.00 0.67 C ATOM 997 CG ASN A 62 -7.051 5.171 -9.405 1.00 0.69 C ATOM 998 OD1 ASN A 62 -7.095 4.489 -8.386 1.00 0.77 O ATOM 999 ND2 ASN A 62 -7.794 6.250 -9.566 1.00 0.93 N ATOM 0 H ASN A 62 -3.700 3.899 -9.746 1.00 0.54 H new ATOM 0 HA ASN A 62 -6.394 2.721 -10.074 1.00 0.57 H new ATOM 0 HB2 ASN A 62 -5.260 5.495 -10.531 1.00 0.67 H new ATOM 0 HB3 ASN A 62 -6.624 4.958 -11.491 1.00 0.67 H new ATOM 0 HD21 ASN A 62 -8.434 6.543 -8.828 1.00 0.93 H new ATOM 0 HD22 ASN A 62 -7.728 6.790 -10.429 1.00 0.93 H new ATOM 1006 N PHE A 63 -4.214 2.024 -11.929 1.00 0.54 N ATOM 1007 CA PHE A 63 -3.801 1.508 -13.232 1.00 0.55 C ATOM 1008 C PHE A 63 -3.968 -0.006 -13.306 1.00 0.54 C ATOM 1009 O PHE A 63 -3.556 -0.640 -14.279 1.00 0.62 O ATOM 1010 CB PHE A 63 -2.361 1.921 -13.571 1.00 0.57 C ATOM 1011 CG PHE A 63 -1.332 1.556 -12.542 1.00 0.57 C ATOM 1012 CD1 PHE A 63 -0.787 0.284 -12.502 1.00 0.62 C ATOM 1013 CD2 PHE A 63 -0.888 2.500 -11.636 1.00 0.65 C ATOM 1014 CE1 PHE A 63 0.181 -0.038 -11.573 1.00 0.70 C ATOM 1015 CE2 PHE A 63 0.074 2.185 -10.703 1.00 0.74 C ATOM 1016 CZ PHE A 63 0.612 0.914 -10.671 1.00 0.74 C ATOM 0 H PHE A 63 -3.674 1.678 -11.136 1.00 0.54 H new ATOM 0 HA PHE A 63 -4.456 1.954 -13.980 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.082 1.461 -14.519 1.00 0.57 H new ATOM 0 HB3 PHE A 63 -2.335 3.000 -13.720 1.00 0.57 H new ATOM 0 HD1 PHE A 63 -1.123 -0.464 -13.205 1.00 0.62 H new ATOM 0 HD2 PHE A 63 -1.301 3.498 -11.660 1.00 0.65 H new ATOM 0 HE1 PHE A 63 0.601 -1.033 -11.552 1.00 0.70 H new ATOM 0 HE2 PHE A 63 0.407 2.931 -9.997 1.00 0.74 H new ATOM 0 HZ PHE A 63 1.369 0.665 -9.942 1.00 0.74 H new ATOM 1026 N MET A 64 -4.594 -0.580 -12.288 1.00 0.52 N ATOM 1027 CA MET A 64 -4.827 -2.019 -12.238 1.00 0.53 C ATOM 1028 C MET A 64 -6.202 -2.300 -11.648 1.00 0.55 C ATOM 1029 O MET A 64 -6.416 -2.129 -10.446 1.00 0.60 O ATOM 1030 CB MET A 64 -3.743 -2.741 -11.425 1.00 0.57 C ATOM 1031 CG MET A 64 -2.605 -3.281 -12.279 1.00 0.64 C ATOM 1032 SD MET A 64 -1.755 -4.677 -11.519 1.00 1.06 S ATOM 1033 CE MET A 64 -2.875 -6.013 -11.930 1.00 1.09 C ATOM 0 H MET A 64 -4.952 -0.069 -11.481 1.00 0.52 H new ATOM 0 HA MET A 64 -4.784 -2.402 -13.258 1.00 0.53 H new ATOM 0 HB2 MET A 64 -3.336 -2.053 -10.684 1.00 0.57 H new ATOM 0 HB3 MET A 64 -4.199 -3.566 -10.877 1.00 0.57 H new ATOM 0 HG2 MET A 64 -2.999 -3.587 -13.248 1.00 0.64 H new ATOM 0 HG3 MET A 64 -1.887 -2.482 -12.464 1.00 0.64 H new ATOM 0 HE1 MET A 64 -2.462 -6.957 -11.574 1.00 1.09 H new ATOM 0 HE2 MET A 64 -3.840 -5.838 -11.455 1.00 1.09 H new ATOM 0 HE3 MET A 64 -3.006 -6.059 -13.011 1.00 1.09 H new ATOM 1043 N GLY A 65 -7.122 -2.726 -12.506 1.00 0.59 N ATOM 1044 CA GLY A 65 -8.476 -3.020 -12.081 1.00 0.64 C ATOM 1045 C GLY A 65 -9.500 -2.557 -13.091 1.00 0.66 C ATOM 1046 O GLY A 65 -10.684 -2.887 -12.994 1.00 0.78 O ATOM 0 H GLY A 65 -6.950 -2.874 -13.500 1.00 0.59 H new ATOM 0 HA2 GLY A 65 -8.582 -4.093 -11.924 1.00 0.64 H new ATOM 0 HA3 GLY A 65 -8.668 -2.537 -11.123 1.00 0.64 H new ATOM 1050 N GLY A 66 -9.045 -1.781 -14.063 1.00 0.65 N ATOM 1051 CA GLY A 66 -9.933 -1.284 -15.089 1.00 0.71 C ATOM 1052 C GLY A 66 -10.816 -0.155 -14.591 1.00 0.75 C ATOM 1053 O GLY A 66 -10.386 0.672 -13.780 1.00 0.81 O ATOM 0 H GLY A 66 -8.073 -1.487 -14.158 1.00 0.65 H new ATOM 0 HA2 GLY A 66 -9.344 -0.934 -15.937 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -10.559 -2.100 -15.450 1.00 0.71 H new ATOM 1057 N ASP A 67 -12.056 -0.139 -15.050 1.00 0.84 N ATOM 1058 CA ASP A 67 -13.017 0.891 -14.667 1.00 0.96 C ATOM 1059 C ASP A 67 -13.403 0.753 -13.196 1.00 0.91 C ATOM 1060 O ASP A 67 -13.620 1.740 -12.498 1.00 0.93 O ATOM 1061 CB ASP A 67 -14.262 0.781 -15.547 1.00 1.19 C ATOM 1062 CG ASP A 67 -15.101 2.044 -15.540 1.00 1.83 C ATOM 1063 OD1 ASP A 67 -14.728 3.010 -16.235 1.00 2.46 O ATOM 1064 OD2 ASP A 67 -16.155 2.067 -14.867 1.00 2.47 O1- ATOM 0 H ASP A 67 -12.428 -0.835 -15.696 1.00 0.84 H new ATOM 0 HA ASP A 67 -12.556 1.869 -14.808 1.00 0.96 H new ATOM 0 HB2 ASP A 67 -13.959 0.557 -16.570 1.00 1.19 H new ATOM 0 HB3 ASP A 67 -14.871 -0.056 -15.204 1.00 1.19 H new ATOM 1069 N LEU A 68 -13.469 -0.486 -12.731 1.00 0.89 N ATOM 1070 CA LEU A 68 -13.821 -0.779 -11.346 1.00 0.89 C ATOM 1071 C LEU A 68 -12.640 -0.478 -10.422 1.00 0.79 C ATOM 1072 O LEU A 68 -12.788 -0.433 -9.200 1.00 0.82 O ATOM 1073 CB LEU A 68 -14.236 -2.252 -11.221 1.00 0.96 C ATOM 1074 CG LEU A 68 -14.837 -2.671 -9.873 1.00 1.18 C ATOM 1075 CD1 LEU A 68 -16.212 -2.046 -9.678 1.00 1.94 C ATOM 1076 CD2 LEU A 68 -14.914 -4.190 -9.778 1.00 1.07 C ATOM 0 H LEU A 68 -13.282 -1.313 -13.298 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.658 -0.147 -11.049 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -14.962 -2.472 -12.004 1.00 0.96 H new ATOM 0 HB3 LEU A 68 -13.361 -2.873 -11.415 1.00 0.96 H new ATOM 0 HG LEU A 68 -14.187 -2.308 -9.077 1.00 1.18 H new ATOM 0 HD11 LEU A 68 -16.620 -2.356 -8.716 1.00 1.94 H new ATOM 0 HD12 LEU A 68 -16.125 -0.960 -9.702 1.00 1.94 H new ATOM 0 HD13 LEU A 68 -16.877 -2.374 -10.477 1.00 1.94 H new ATOM 0 HD21 LEU A 68 -15.342 -4.473 -8.817 1.00 1.07 H new ATOM 0 HD22 LEU A 68 -15.542 -4.573 -10.582 1.00 1.07 H new ATOM 0 HD23 LEU A 68 -13.913 -4.611 -9.867 1.00 1.07 H new ATOM 1088 N GLY A 69 -11.474 -0.256 -11.016 1.00 0.70 N ATOM 1089 CA GLY A 69 -10.285 0.036 -10.242 1.00 0.65 C ATOM 1090 C GLY A 69 -10.412 1.319 -9.446 1.00 0.64 C ATOM 1091 O GLY A 69 -10.111 1.345 -8.254 1.00 0.63 O ATOM 0 H GLY A 69 -11.332 -0.273 -12.026 1.00 0.70 H new ATOM 0 HA2 GLY A 69 -10.086 -0.792 -9.562 1.00 0.65 H new ATOM 0 HA3 GLY A 69 -9.428 0.111 -10.912 1.00 0.65 H new ATOM 1095 N LYS A 70 -10.897 2.372 -10.099 1.00 0.68 N ATOM 1096 CA LYS A 70 -11.052 3.676 -9.453 1.00 0.71 C ATOM 1097 C LYS A 70 -12.136 3.642 -8.380 1.00 0.73 C ATOM 1098 O LYS A 70 -12.091 4.410 -7.419 1.00 0.74 O ATOM 1099 CB LYS A 70 -11.388 4.757 -10.483 1.00 0.79 C ATOM 1100 CG LYS A 70 -10.267 5.047 -11.464 1.00 0.89 C ATOM 1101 CD LYS A 70 -10.298 6.493 -11.935 1.00 1.35 C ATOM 1102 CE LYS A 70 -9.150 6.796 -12.886 1.00 1.83 C ATOM 1103 NZ LYS A 70 -8.743 8.223 -12.820 1.00 2.69 N1+ ATOM 0 H LYS A 70 -11.190 2.349 -11.076 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.100 3.915 -8.978 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -12.274 4.451 -11.040 1.00 0.79 H new ATOM 0 HB3 LYS A 70 -11.644 5.677 -9.958 1.00 0.79 H new ATOM 0 HG2 LYS A 70 -9.307 4.837 -10.993 1.00 0.89 H new ATOM 0 HG3 LYS A 70 -10.353 4.382 -12.323 1.00 0.89 H new ATOM 0 HD2 LYS A 70 -11.247 6.694 -12.433 1.00 1.35 H new ATOM 0 HD3 LYS A 70 -10.243 7.158 -11.073 1.00 1.35 H new ATOM 0 HE2 LYS A 70 -8.297 6.163 -12.640 1.00 1.83 H new ATOM 0 HE3 LYS A 70 -9.447 6.549 -13.905 1.00 1.83 H new ATOM 0 HZ1 LYS A 70 -7.895 8.370 -13.404 1.00 2.69 H new ATOM 0 HZ2 LYS A 70 -9.516 8.821 -13.175 1.00 2.69 H new ATOM 0 HZ3 LYS A 70 -8.533 8.479 -11.834 1.00 2.69 H new ATOM 1117 N ASP A 71 -13.099 2.746 -8.544 1.00 0.76 N ATOM 1118 CA ASP A 71 -14.194 2.614 -7.589 1.00 0.81 C ATOM 1119 C ASP A 71 -13.674 2.165 -6.231 1.00 0.75 C ATOM 1120 O ASP A 71 -14.065 2.696 -5.190 1.00 0.77 O ATOM 1121 CB ASP A 71 -15.238 1.617 -8.096 1.00 0.88 C ATOM 1122 CG ASP A 71 -16.551 2.285 -8.452 1.00 1.06 C ATOM 1123 OD1 ASP A 71 -16.542 3.219 -9.281 1.00 1.65 O1- ATOM 1124 OD2 ASP A 71 -17.601 1.873 -7.914 1.00 1.58 O ATOM 0 H ASP A 71 -13.146 2.098 -9.330 1.00 0.76 H new ATOM 0 HA ASP A 71 -14.662 3.592 -7.482 1.00 0.81 H new ATOM 0 HB2 ASP A 71 -14.847 1.100 -8.973 1.00 0.88 H new ATOM 0 HB3 ASP A 71 -15.414 0.860 -7.332 1.00 0.88 H new ATOM 1129 N LEU A 72 -12.773 1.192 -6.251 1.00 0.70 N ATOM 1130 CA LEU A 72 -12.191 0.669 -5.026 1.00 0.67 C ATOM 1131 C LEU A 72 -11.286 1.706 -4.357 1.00 0.61 C ATOM 1132 O LEU A 72 -11.073 1.669 -3.145 1.00 0.60 O ATOM 1133 CB LEU A 72 -11.406 -0.611 -5.314 1.00 0.66 C ATOM 1134 CG LEU A 72 -11.879 -1.846 -4.540 1.00 0.95 C ATOM 1135 CD1 LEU A 72 -11.134 -3.083 -5.010 1.00 1.05 C ATOM 1136 CD2 LEU A 72 -11.688 -1.647 -3.044 1.00 1.17 C ATOM 0 H LEU A 72 -12.430 0.750 -7.104 1.00 0.70 H new ATOM 0 HA LEU A 72 -13.005 0.438 -4.339 1.00 0.67 H new ATOM 0 HB2 LEU A 72 -11.466 -0.824 -6.381 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -10.355 -0.435 -5.082 1.00 0.66 H new ATOM 0 HG LEU A 72 -12.942 -1.987 -4.734 1.00 0.95 H new ATOM 0 HD11 LEU A 72 -11.481 -3.952 -4.450 1.00 1.05 H new ATOM 0 HD12 LEU A 72 -11.320 -3.238 -6.073 1.00 1.05 H new ATOM 0 HD13 LEU A 72 -10.065 -2.949 -4.845 1.00 1.05 H new ATOM 0 HD21 LEU A 72 -12.030 -2.535 -2.512 1.00 1.17 H new ATOM 0 HD22 LEU A 72 -10.632 -1.481 -2.831 1.00 1.17 H new ATOM 0 HD23 LEU A 72 -12.265 -0.783 -2.715 1.00 1.17 H new ATOM 1148 N THR A 73 -10.770 2.635 -5.148 1.00 0.60 N ATOM 1149 CA THR A 73 -9.901 3.682 -4.629 1.00 0.57 C ATOM 1150 C THR A 73 -10.677 4.604 -3.691 1.00 0.62 C ATOM 1151 O THR A 73 -10.146 5.087 -2.686 1.00 0.62 O ATOM 1152 CB THR A 73 -9.299 4.492 -5.781 1.00 0.57 C ATOM 1153 OG1 THR A 73 -8.948 3.596 -6.841 1.00 0.56 O ATOM 1154 CG2 THR A 73 -8.066 5.257 -5.331 1.00 0.56 C ATOM 0 H THR A 73 -10.938 2.686 -6.153 1.00 0.60 H new ATOM 0 HA THR A 73 -9.093 3.212 -4.068 1.00 0.57 H new ATOM 0 HB THR A 73 -10.038 5.217 -6.124 1.00 0.57 H new ATOM 0 HG1 THR A 73 -8.047 3.808 -7.163 1.00 0.56 H new ATOM 0 HG21 THR A 73 -7.662 5.822 -6.171 1.00 0.56 H new ATOM 0 HG22 THR A 73 -8.336 5.943 -4.529 1.00 0.56 H new ATOM 0 HG23 THR A 73 -7.314 4.555 -4.970 1.00 0.56 H new ATOM 1162 N GLN A 74 -11.944 4.832 -4.018 1.00 0.67 N ATOM 1163 CA GLN A 74 -12.799 5.673 -3.195 1.00 0.73 C ATOM 1164 C GLN A 74 -13.226 4.902 -1.953 1.00 0.72 C ATOM 1165 O GLN A 74 -13.304 5.457 -0.860 1.00 0.74 O ATOM 1166 CB GLN A 74 -14.017 6.140 -3.992 1.00 0.81 C ATOM 1167 CG GLN A 74 -14.803 7.254 -3.314 1.00 0.90 C ATOM 1168 CD GLN A 74 -15.480 8.177 -4.311 1.00 1.06 C ATOM 1169 OE1 GLN A 74 -15.006 8.347 -5.434 1.00 1.14 O ATOM 1170 NE2 GLN A 74 -16.585 8.786 -3.909 1.00 1.21 N ATOM 0 H GLN A 74 -12.399 4.446 -4.845 1.00 0.67 H new ATOM 0 HA GLN A 74 -12.243 6.558 -2.886 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -13.688 6.485 -4.972 1.00 0.81 H new ATOM 0 HB3 GLN A 74 -14.679 5.290 -4.158 1.00 0.81 H new ATOM 0 HG2 GLN A 74 -15.556 6.816 -2.659 1.00 0.90 H new ATOM 0 HG3 GLN A 74 -14.131 7.836 -2.683 1.00 0.90 H new ATOM 0 HE21 GLN A 74 -16.947 8.619 -2.970 1.00 1.21 H new ATOM 0 HE22 GLN A 74 -17.075 9.422 -4.538 1.00 1.21 H new ATOM 1179 N ALA A 75 -13.481 3.612 -2.137 1.00 0.71 N ATOM 1180 CA ALA A 75 -13.877 2.737 -1.042 1.00 0.70 C ATOM 1181 C ALA A 75 -12.756 2.624 -0.023 1.00 0.64 C ATOM 1182 O ALA A 75 -12.988 2.660 1.187 1.00 0.65 O ATOM 1183 CB ALA A 75 -14.235 1.363 -1.584 1.00 0.71 C ATOM 0 H ALA A 75 -13.420 3.147 -3.043 1.00 0.71 H new ATOM 0 HA ALA A 75 -14.750 3.163 -0.548 1.00 0.70 H new ATOM 0 HB1 ALA A 75 -14.530 0.713 -0.761 1.00 0.71 H new ATOM 0 HB2 ALA A 75 -15.061 1.454 -2.289 1.00 0.71 H new ATOM 0 HB3 ALA A 75 -13.370 0.936 -2.092 1.00 0.71 H new ATOM 1189 N TRP A 76 -11.536 2.504 -0.529 1.00 0.59 N ATOM 1190 CA TRP A 76 -10.361 2.387 0.312 1.00 0.54 C ATOM 1191 C TRP A 76 -10.153 3.661 1.122 1.00 0.56 C ATOM 1192 O TRP A 76 -9.750 3.609 2.287 1.00 0.55 O ATOM 1193 CB TRP A 76 -9.122 2.093 -0.541 1.00 0.50 C ATOM 1194 CG TRP A 76 -7.891 1.884 0.277 1.00 0.46 C ATOM 1195 CD1 TRP A 76 -6.782 2.671 0.299 1.00 0.46 C ATOM 1196 CD2 TRP A 76 -7.656 0.821 1.203 1.00 0.45 C ATOM 1197 NE1 TRP A 76 -5.865 2.161 1.182 1.00 0.44 N ATOM 1198 CE2 TRP A 76 -6.377 1.024 1.751 1.00 0.44 C ATOM 1199 CE3 TRP A 76 -8.401 -0.283 1.622 1.00 0.46 C ATOM 1200 CZ2 TRP A 76 -5.830 0.163 2.696 1.00 0.44 C ATOM 1201 CZ3 TRP A 76 -7.856 -1.137 2.559 1.00 0.47 C ATOM 1202 CH2 TRP A 76 -6.580 -0.910 3.089 1.00 0.46 C ATOM 0 H TRP A 76 -11.337 2.485 -1.529 1.00 0.59 H new ATOM 0 HA TRP A 76 -10.515 1.559 1.004 1.00 0.54 H new ATOM 0 HB2 TRP A 76 -9.306 1.205 -1.146 1.00 0.50 H new ATOM 0 HB3 TRP A 76 -8.958 2.920 -1.231 1.00 0.50 H new ATOM 0 HD1 TRP A 76 -6.644 3.565 -0.291 1.00 0.46 H new ATOM 0 HE1 TRP A 76 -4.949 2.563 1.383 1.00 0.44 H new ATOM 0 HE3 TRP A 76 -9.387 -0.465 1.220 1.00 0.46 H new ATOM 0 HZ2 TRP A 76 -4.846 0.336 3.106 1.00 0.44 H new ATOM 0 HZ3 TRP A 76 -8.423 -1.995 2.889 1.00 0.47 H new ATOM 0 HH2 TRP A 76 -6.181 -1.596 3.822 1.00 0.46 H new ATOM 1213 N ALA A 77 -10.450 4.803 0.511 1.00 0.61 N ATOM 1214 CA ALA A 77 -10.304 6.085 1.185 1.00 0.65 C ATOM 1215 C ALA A 77 -11.214 6.138 2.407 1.00 0.69 C ATOM 1216 O ALA A 77 -10.832 6.652 3.462 1.00 0.71 O ATOM 1217 CB ALA A 77 -10.608 7.226 0.230 1.00 0.70 C ATOM 0 H ALA A 77 -10.792 4.866 -0.448 1.00 0.61 H new ATOM 0 HA ALA A 77 -9.272 6.194 1.519 1.00 0.65 H new ATOM 0 HB1 ALA A 77 -10.494 8.177 0.751 1.00 0.70 H new ATOM 0 HB2 ALA A 77 -9.918 7.189 -0.613 1.00 0.70 H new ATOM 0 HB3 ALA A 77 -11.631 7.133 -0.135 1.00 0.70 H new ATOM 1223 N VAL A 78 -12.410 5.579 2.260 1.00 0.71 N ATOM 1224 CA VAL A 78 -13.379 5.536 3.345 1.00 0.75 C ATOM 1225 C VAL A 78 -12.861 4.638 4.462 1.00 0.71 C ATOM 1226 O VAL A 78 -12.913 4.997 5.639 1.00 0.75 O ATOM 1227 CB VAL A 78 -14.748 5.014 2.858 1.00 0.78 C ATOM 1228 CG1 VAL A 78 -15.754 4.993 3.997 1.00 0.83 C ATOM 1229 CG2 VAL A 78 -15.264 5.860 1.705 1.00 0.84 C ATOM 0 H VAL A 78 -12.732 5.147 1.394 1.00 0.71 H new ATOM 0 HA VAL A 78 -13.514 6.552 3.716 1.00 0.75 H new ATOM 0 HB VAL A 78 -14.615 3.992 2.502 1.00 0.78 H new ATOM 0 HG11 VAL A 78 -16.711 4.622 3.630 1.00 0.83 H new ATOM 0 HG12 VAL A 78 -15.391 4.340 4.791 1.00 0.83 H new ATOM 0 HG13 VAL A 78 -15.882 6.002 4.388 1.00 0.83 H new ATOM 0 HG21 VAL A 78 -16.230 5.476 1.376 1.00 0.84 H new ATOM 0 HG22 VAL A 78 -15.377 6.893 2.034 1.00 0.84 H new ATOM 0 HG23 VAL A 78 -14.556 5.818 0.878 1.00 0.84 H new ATOM 1239 N ALA A 79 -12.336 3.479 4.073 1.00 0.66 N ATOM 1240 CA ALA A 79 -11.793 2.512 5.021 1.00 0.63 C ATOM 1241 C ALA A 79 -10.678 3.132 5.855 1.00 0.63 C ATOM 1242 O ALA A 79 -10.611 2.932 7.070 1.00 0.66 O ATOM 1243 CB ALA A 79 -11.273 1.283 4.287 1.00 0.59 C ATOM 0 H ALA A 79 -12.275 3.186 3.098 1.00 0.66 H new ATOM 0 HA ALA A 79 -12.597 2.211 5.692 1.00 0.63 H new ATOM 0 HB1 ALA A 79 -10.871 0.571 5.008 1.00 0.59 H new ATOM 0 HB2 ALA A 79 -12.089 0.818 3.734 1.00 0.59 H new ATOM 0 HB3 ALA A 79 -10.486 1.579 3.593 1.00 0.59 H new ATOM 1249 N MET A 80 -9.810 3.887 5.192 1.00 0.63 N ATOM 1250 CA MET A 80 -8.695 4.548 5.861 1.00 0.66 C ATOM 1251 C MET A 80 -9.200 5.581 6.858 1.00 0.73 C ATOM 1252 O MET A 80 -8.711 5.666 7.986 1.00 0.79 O ATOM 1253 CB MET A 80 -7.789 5.225 4.834 1.00 0.65 C ATOM 1254 CG MET A 80 -6.338 4.765 4.891 1.00 1.08 C ATOM 1255 SD MET A 80 -5.217 5.872 4.003 1.00 1.04 S ATOM 1256 CE MET A 80 -5.813 5.691 2.323 1.00 1.02 C ATOM 0 H MET A 80 -9.857 4.057 4.187 1.00 0.63 H new ATOM 0 HA MET A 80 -8.125 3.791 6.400 1.00 0.66 H new ATOM 0 HB2 MET A 80 -8.182 5.033 3.835 1.00 0.65 H new ATOM 0 HB3 MET A 80 -7.824 6.303 4.988 1.00 0.65 H new ATOM 0 HG2 MET A 80 -6.024 4.696 5.933 1.00 1.08 H new ATOM 0 HG3 MET A 80 -6.262 3.763 4.468 1.00 1.08 H new ATOM 0 HE1 MET A 80 -5.218 6.315 1.657 1.00 1.02 H new ATOM 0 HE2 MET A 80 -5.727 4.649 2.017 1.00 1.02 H new ATOM 0 HE3 MET A 80 -6.857 5.999 2.272 1.00 1.02 H new ATOM 1266 N ALA A 81 -10.186 6.361 6.435 1.00 0.76 N ATOM 1267 CA ALA A 81 -10.766 7.396 7.283 1.00 0.84 C ATOM 1268 C ALA A 81 -11.461 6.796 8.503 1.00 0.87 C ATOM 1269 O ALA A 81 -11.420 7.369 9.595 1.00 0.99 O ATOM 1270 CB ALA A 81 -11.739 8.246 6.480 1.00 0.89 C ATOM 0 H ALA A 81 -10.603 6.297 5.506 1.00 0.76 H new ATOM 0 HA ALA A 81 -9.955 8.029 7.644 1.00 0.84 H new ATOM 0 HB1 ALA A 81 -12.166 9.016 7.123 1.00 0.89 H new ATOM 0 HB2 ALA A 81 -11.212 8.718 5.651 1.00 0.89 H new ATOM 0 HB3 ALA A 81 -12.537 7.615 6.090 1.00 0.89 H new ATOM 1276 N LEU A 82 -12.094 5.641 8.319 1.00 0.80 N ATOM 1277 CA LEU A 82 -12.803 4.971 9.406 1.00 0.82 C ATOM 1278 C LEU A 82 -11.833 4.259 10.350 1.00 0.81 C ATOM 1279 O LEU A 82 -12.032 4.258 11.561 1.00 0.88 O ATOM 1280 CB LEU A 82 -13.826 3.975 8.846 1.00 0.82 C ATOM 1281 CG LEU A 82 -14.920 4.580 7.957 1.00 0.87 C ATOM 1282 CD1 LEU A 82 -15.910 3.513 7.514 1.00 0.90 C ATOM 1283 CD2 LEU A 82 -15.644 5.706 8.682 1.00 0.97 C ATOM 0 H LEU A 82 -12.131 5.149 7.426 1.00 0.80 H new ATOM 0 HA LEU A 82 -13.330 5.734 9.979 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -13.293 3.218 8.271 1.00 0.82 H new ATOM 0 HB3 LEU A 82 -14.303 3.463 9.682 1.00 0.82 H new ATOM 0 HG LEU A 82 -14.441 4.993 7.070 1.00 0.87 H new ATOM 0 HD11 LEU A 82 -16.676 3.966 6.885 1.00 0.90 H new ATOM 0 HD12 LEU A 82 -15.386 2.742 6.949 1.00 0.90 H new ATOM 0 HD13 LEU A 82 -16.378 3.065 8.390 1.00 0.90 H new ATOM 0 HD21 LEU A 82 -16.415 6.120 8.033 1.00 0.97 H new ATOM 0 HD22 LEU A 82 -16.105 5.317 9.590 1.00 0.97 H new ATOM 0 HD23 LEU A 82 -14.931 6.488 8.943 1.00 0.97 H new ATOM 1295 N GLY A 83 -10.791 3.656 9.794 1.00 0.75 N ATOM 1296 CA GLY A 83 -9.813 2.958 10.613 1.00 0.74 C ATOM 1297 C GLY A 83 -10.031 1.456 10.621 1.00 0.72 C ATOM 1298 O GLY A 83 -9.874 0.800 11.654 1.00 0.78 O ATOM 0 H GLY A 83 -10.603 3.636 8.792 1.00 0.75 H new ATOM 0 HA2 GLY A 83 -8.811 3.175 10.242 1.00 0.74 H new ATOM 0 HA3 GLY A 83 -9.863 3.335 11.634 1.00 0.74 H new ATOM 1302 N VAL A 84 -10.408 0.911 9.472 1.00 0.67 N ATOM 1303 CA VAL A 84 -10.651 -0.521 9.343 1.00 0.65 C ATOM 1304 C VAL A 84 -9.956 -1.070 8.104 1.00 0.59 C ATOM 1305 O VAL A 84 -10.414 -2.044 7.503 1.00 0.60 O ATOM 1306 CB VAL A 84 -12.165 -0.838 9.257 1.00 0.71 C ATOM 1307 CG1 VAL A 84 -12.836 -0.672 10.612 1.00 0.81 C ATOM 1308 CG2 VAL A 84 -12.845 0.042 8.214 1.00 0.73 C ATOM 0 H VAL A 84 -10.553 1.441 8.612 1.00 0.67 H new ATOM 0 HA VAL A 84 -10.246 -0.998 10.236 1.00 0.65 H new ATOM 0 HB VAL A 84 -12.270 -1.879 8.951 1.00 0.71 H new ATOM 0 HG11 VAL A 84 -13.898 -0.901 10.523 1.00 0.81 H new ATOM 0 HG12 VAL A 84 -12.378 -1.351 11.331 1.00 0.81 H new ATOM 0 HG13 VAL A 84 -12.714 0.355 10.955 1.00 0.81 H new ATOM 0 HG21 VAL A 84 -13.907 -0.199 8.172 1.00 0.73 H new ATOM 0 HG22 VAL A 84 -12.721 1.090 8.486 1.00 0.73 H new ATOM 0 HG23 VAL A 84 -12.394 -0.136 7.238 1.00 0.73 H new ATOM 1318 N GLU A 85 -8.830 -0.452 7.751 1.00 0.58 N ATOM 1319 CA GLU A 85 -8.059 -0.840 6.566 1.00 0.55 C ATOM 1320 C GLU A 85 -7.709 -2.329 6.555 1.00 0.53 C ATOM 1321 O GLU A 85 -8.185 -3.078 5.700 1.00 0.56 O ATOM 1322 CB GLU A 85 -6.772 -0.017 6.478 1.00 0.63 C ATOM 1323 CG GLU A 85 -7.004 1.485 6.480 1.00 0.81 C ATOM 1324 CD GLU A 85 -6.758 2.117 7.840 1.00 1.11 C ATOM 1325 OE1 GLU A 85 -7.285 1.596 8.848 1.00 1.71 O ATOM 1326 OE2 GLU A 85 -6.033 3.133 7.904 1.00 1.67 O1- ATOM 0 H GLU A 85 -8.427 0.326 8.273 1.00 0.58 H new ATOM 0 HA GLU A 85 -8.692 -0.641 5.701 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -6.127 -0.277 7.318 1.00 0.63 H new ATOM 0 HB3 GLU A 85 -6.237 -0.292 5.569 1.00 0.63 H new ATOM 0 HG2 GLU A 85 -6.348 1.950 5.744 1.00 0.81 H new ATOM 0 HG3 GLU A 85 -8.028 1.690 6.169 1.00 0.81 H new ATOM 1333 N ASP A 86 -6.897 -2.755 7.516 1.00 0.57 N ATOM 1334 CA ASP A 86 -6.457 -4.149 7.596 1.00 0.62 C ATOM 1335 C ASP A 86 -7.646 -5.094 7.753 1.00 0.64 C ATOM 1336 O ASP A 86 -7.624 -6.226 7.265 1.00 0.87 O ATOM 1337 CB ASP A 86 -5.489 -4.365 8.771 1.00 0.74 C ATOM 1338 CG ASP A 86 -4.574 -3.181 9.031 1.00 1.12 C ATOM 1339 OD1 ASP A 86 -4.986 -2.266 9.778 1.00 1.91 O ATOM 1340 OD2 ASP A 86 -3.441 -3.160 8.505 1.00 1.75 O1- ATOM 0 H ASP A 86 -6.527 -2.156 8.254 1.00 0.57 H new ATOM 0 HA ASP A 86 -5.940 -4.371 6.662 1.00 0.62 H new ATOM 0 HB2 ASP A 86 -6.066 -4.573 9.672 1.00 0.74 H new ATOM 0 HB3 ASP A 86 -4.880 -5.247 8.572 1.00 0.74 H new ATOM 1345 N LYS A 87 -8.690 -4.610 8.419 1.00 0.59 N ATOM 1346 CA LYS A 87 -9.892 -5.404 8.665 1.00 0.63 C ATOM 1347 C LYS A 87 -10.581 -5.810 7.365 1.00 0.60 C ATOM 1348 O LYS A 87 -11.074 -6.931 7.247 1.00 0.67 O ATOM 1349 CB LYS A 87 -10.877 -4.637 9.556 1.00 0.70 C ATOM 1350 CG LYS A 87 -10.333 -4.300 10.936 1.00 0.79 C ATOM 1351 CD LYS A 87 -10.017 -5.554 11.736 1.00 1.48 C ATOM 1352 CE LYS A 87 -9.474 -5.216 13.118 1.00 1.85 C ATOM 1353 NZ LYS A 87 -8.180 -4.487 13.042 1.00 2.28 N1+ ATOM 0 H LYS A 87 -8.729 -3.665 8.801 1.00 0.59 H new ATOM 0 HA LYS A 87 -9.575 -6.312 9.178 1.00 0.63 H new ATOM 0 HB2 LYS A 87 -11.161 -3.712 9.053 1.00 0.70 H new ATOM 0 HB3 LYS A 87 -11.785 -5.230 9.670 1.00 0.70 H new ATOM 0 HG2 LYS A 87 -9.431 -3.696 10.834 1.00 0.79 H new ATOM 0 HG3 LYS A 87 -11.062 -3.697 11.477 1.00 0.79 H new ATOM 0 HD2 LYS A 87 -10.918 -6.159 11.837 1.00 1.48 H new ATOM 0 HD3 LYS A 87 -9.287 -6.157 11.195 1.00 1.48 H new ATOM 0 HE2 LYS A 87 -10.202 -4.608 13.656 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -9.340 -6.134 13.690 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -7.744 -4.454 13.986 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -7.543 -4.979 12.384 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -8.347 -3.518 12.703 1.00 2.28 H new ATOM 1367 N VAL A 88 -10.610 -4.913 6.390 1.00 0.56 N ATOM 1368 CA VAL A 88 -11.264 -5.210 5.123 1.00 0.55 C ATOM 1369 C VAL A 88 -10.274 -5.635 4.043 1.00 0.50 C ATOM 1370 O VAL A 88 -10.683 -6.099 2.979 1.00 0.50 O ATOM 1371 CB VAL A 88 -12.092 -4.016 4.607 1.00 0.58 C ATOM 1372 CG1 VAL A 88 -13.226 -3.693 5.569 1.00 0.65 C ATOM 1373 CG2 VAL A 88 -11.212 -2.792 4.388 1.00 0.56 C ATOM 0 H VAL A 88 -10.194 -3.984 6.449 1.00 0.56 H new ATOM 0 HA VAL A 88 -11.934 -6.045 5.329 1.00 0.55 H new ATOM 0 HB VAL A 88 -12.523 -4.298 3.646 1.00 0.58 H new ATOM 0 HG11 VAL A 88 -13.798 -2.848 5.186 1.00 0.65 H new ATOM 0 HG12 VAL A 88 -13.880 -4.560 5.665 1.00 0.65 H new ATOM 0 HG13 VAL A 88 -12.814 -3.440 6.546 1.00 0.65 H new ATOM 0 HG21 VAL A 88 -11.822 -1.965 4.024 1.00 0.56 H new ATOM 0 HG22 VAL A 88 -10.742 -2.509 5.330 1.00 0.56 H new ATOM 0 HG23 VAL A 88 -10.441 -3.025 3.653 1.00 0.56 H new ATOM 1383 N THR A 89 -8.983 -5.499 4.316 1.00 0.48 N ATOM 1384 CA THR A 89 -7.958 -5.867 3.343 1.00 0.44 C ATOM 1385 C THR A 89 -8.073 -7.338 2.930 1.00 0.43 C ATOM 1386 O THR A 89 -8.030 -7.662 1.743 1.00 0.44 O ATOM 1387 CB THR A 89 -6.539 -5.588 3.891 1.00 0.45 C ATOM 1388 OG1 THR A 89 -6.381 -4.187 4.139 1.00 0.98 O ATOM 1389 CG2 THR A 89 -5.469 -6.051 2.912 1.00 0.79 C ATOM 0 H THR A 89 -8.620 -5.138 5.198 1.00 0.48 H new ATOM 0 HA THR A 89 -8.123 -5.248 2.461 1.00 0.44 H new ATOM 0 HB THR A 89 -6.421 -6.145 4.820 1.00 0.45 H new ATOM 0 HG1 THR A 89 -7.101 -3.876 4.727 1.00 0.98 H new ATOM 0 HG21 THR A 89 -4.482 -5.841 3.325 1.00 0.79 H new ATOM 0 HG22 THR A 89 -5.571 -7.123 2.742 1.00 0.79 H new ATOM 0 HG23 THR A 89 -5.587 -5.521 1.967 1.00 0.79 H new ATOM 1397 N VAL A 90 -8.251 -8.217 3.908 1.00 0.46 N ATOM 1398 CA VAL A 90 -8.362 -9.649 3.635 1.00 0.49 C ATOM 1399 C VAL A 90 -9.613 -9.987 2.808 1.00 0.50 C ATOM 1400 O VAL A 90 -9.485 -10.501 1.696 1.00 0.52 O ATOM 1401 CB VAL A 90 -8.344 -10.483 4.935 1.00 0.54 C ATOM 1402 CG1 VAL A 90 -8.480 -11.969 4.628 1.00 0.62 C ATOM 1403 CG2 VAL A 90 -7.072 -10.212 5.727 1.00 0.57 C ATOM 0 H VAL A 90 -8.322 -7.968 4.894 1.00 0.46 H new ATOM 0 HA VAL A 90 -7.486 -9.914 3.043 1.00 0.49 H new ATOM 0 HB VAL A 90 -9.198 -10.184 5.543 1.00 0.54 H new ATOM 0 HG11 VAL A 90 -8.465 -12.536 5.559 1.00 0.62 H new ATOM 0 HG12 VAL A 90 -9.422 -12.149 4.109 1.00 0.62 H new ATOM 0 HG13 VAL A 90 -7.651 -12.287 3.996 1.00 0.62 H new ATOM 0 HG21 VAL A 90 -7.077 -10.808 6.639 1.00 0.57 H new ATOM 0 HG22 VAL A 90 -6.204 -10.479 5.124 1.00 0.57 H new ATOM 0 HG23 VAL A 90 -7.023 -9.154 5.985 1.00 0.57 H new ATOM 1413 N PRO A 91 -10.837 -9.697 3.314 1.00 0.53 N ATOM 1414 CA PRO A 91 -12.074 -10.006 2.584 1.00 0.57 C ATOM 1415 C PRO A 91 -12.118 -9.383 1.191 1.00 0.57 C ATOM 1416 O PRO A 91 -12.691 -9.962 0.267 1.00 0.61 O ATOM 1417 CB PRO A 91 -13.184 -9.427 3.466 1.00 0.60 C ATOM 1418 CG PRO A 91 -12.506 -8.518 4.429 1.00 0.58 C ATOM 1419 CD PRO A 91 -11.125 -9.075 4.619 1.00 0.54 C ATOM 0 HA PRO A 91 -12.169 -11.078 2.412 1.00 0.57 H new ATOM 0 HB2 PRO A 91 -13.917 -8.886 2.867 1.00 0.60 H new ATOM 0 HB3 PRO A 91 -13.721 -10.219 3.988 1.00 0.60 H new ATOM 0 HG2 PRO A 91 -12.467 -7.499 4.043 1.00 0.58 H new ATOM 0 HG3 PRO A 91 -13.045 -8.479 5.376 1.00 0.58 H new ATOM 0 HD2 PRO A 91 -10.404 -8.294 4.862 1.00 0.54 H new ATOM 0 HD3 PRO A 91 -11.091 -9.803 5.430 1.00 0.54 H new ATOM 1427 N LEU A 92 -11.520 -8.208 1.041 1.00 0.54 N ATOM 1428 CA LEU A 92 -11.494 -7.544 -0.254 1.00 0.55 C ATOM 1429 C LEU A 92 -10.596 -8.305 -1.222 1.00 0.54 C ATOM 1430 O LEU A 92 -10.982 -8.558 -2.358 1.00 0.59 O ATOM 1431 CB LEU A 92 -11.029 -6.091 -0.127 1.00 0.54 C ATOM 1432 CG LEU A 92 -12.106 -5.097 0.328 1.00 0.61 C ATOM 1433 CD1 LEU A 92 -11.481 -3.753 0.663 1.00 0.60 C ATOM 1434 CD2 LEU A 92 -13.163 -4.922 -0.747 1.00 0.79 C ATOM 0 H LEU A 92 -11.052 -7.700 1.792 1.00 0.54 H new ATOM 0 HA LEU A 92 -12.511 -7.537 -0.646 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -10.200 -6.052 0.580 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -10.641 -5.765 -1.092 1.00 0.54 H new ATOM 0 HG LEU A 92 -12.581 -5.499 1.223 1.00 0.61 H new ATOM 0 HD11 LEU A 92 -12.259 -3.060 0.984 1.00 0.60 H new ATOM 0 HD12 LEU A 92 -10.754 -3.880 1.465 1.00 0.60 H new ATOM 0 HD13 LEU A 92 -10.981 -3.354 -0.220 1.00 0.60 H new ATOM 0 HD21 LEU A 92 -13.917 -4.213 -0.404 1.00 0.79 H new ATOM 0 HD22 LEU A 92 -12.697 -4.544 -1.657 1.00 0.79 H new ATOM 0 HD23 LEU A 92 -13.635 -5.883 -0.953 1.00 0.79 H new ATOM 1446 N PHE A 93 -9.405 -8.687 -0.762 1.00 0.48 N ATOM 1447 CA PHE A 93 -8.466 -9.432 -1.596 1.00 0.48 C ATOM 1448 C PHE A 93 -9.068 -10.768 -2.017 1.00 0.54 C ATOM 1449 O PHE A 93 -9.057 -11.134 -3.197 1.00 0.58 O ATOM 1450 CB PHE A 93 -7.156 -9.677 -0.838 1.00 0.44 C ATOM 1451 CG PHE A 93 -6.035 -8.746 -1.226 1.00 0.41 C ATOM 1452 CD1 PHE A 93 -5.609 -8.656 -2.542 1.00 0.44 C ATOM 1453 CD2 PHE A 93 -5.402 -7.969 -0.268 1.00 0.42 C ATOM 1454 CE1 PHE A 93 -4.574 -7.809 -2.894 1.00 0.44 C ATOM 1455 CE2 PHE A 93 -4.367 -7.118 -0.614 1.00 0.43 C ATOM 1456 CZ PHE A 93 -3.952 -7.039 -1.929 1.00 0.41 C ATOM 0 H PHE A 93 -9.069 -8.493 0.181 1.00 0.48 H new ATOM 0 HA PHE A 93 -8.259 -8.839 -2.487 1.00 0.48 H new ATOM 0 HB2 PHE A 93 -7.343 -9.576 0.231 1.00 0.44 H new ATOM 0 HB3 PHE A 93 -6.836 -10.705 -1.010 1.00 0.44 H new ATOM 0 HD1 PHE A 93 -6.091 -9.254 -3.301 1.00 0.44 H new ATOM 0 HD2 PHE A 93 -5.721 -8.029 0.762 1.00 0.42 H new ATOM 0 HE1 PHE A 93 -4.252 -7.749 -3.923 1.00 0.44 H new ATOM 0 HE2 PHE A 93 -3.885 -6.517 0.143 1.00 0.43 H new ATOM 0 HZ PHE A 93 -3.144 -6.377 -2.203 1.00 0.41 H new ATOM 1466 N GLU A 94 -9.615 -11.477 -1.041 1.00 0.55 N ATOM 1467 CA GLU A 94 -10.224 -12.777 -1.272 1.00 0.62 C ATOM 1468 C GLU A 94 -11.425 -12.678 -2.207 1.00 0.66 C ATOM 1469 O GLU A 94 -11.572 -13.480 -3.132 1.00 0.72 O ATOM 1470 CB GLU A 94 -10.657 -13.387 0.060 1.00 0.66 C ATOM 1471 CG GLU A 94 -9.502 -13.695 1.000 1.00 0.66 C ATOM 1472 CD GLU A 94 -8.932 -15.080 0.791 1.00 0.93 C ATOM 1473 OE1 GLU A 94 -9.663 -16.068 1.011 1.00 1.46 O1- ATOM 1474 OE2 GLU A 94 -7.747 -15.195 0.411 1.00 1.70 O ATOM 0 H GLU A 94 -9.649 -11.168 -0.070 1.00 0.55 H new ATOM 0 HA GLU A 94 -9.480 -13.415 -1.749 1.00 0.62 H new ATOM 0 HB2 GLU A 94 -11.344 -12.701 0.556 1.00 0.66 H new ATOM 0 HB3 GLU A 94 -11.209 -14.306 -0.135 1.00 0.66 H new ATOM 0 HG2 GLU A 94 -8.714 -12.956 0.854 1.00 0.66 H new ATOM 0 HG3 GLU A 94 -9.843 -13.599 2.031 1.00 0.66 H new ATOM 1481 N GLY A 95 -12.260 -11.679 -1.978 1.00 0.66 N ATOM 1482 CA GLY A 95 -13.455 -11.503 -2.780 1.00 0.71 C ATOM 1483 C GLY A 95 -13.180 -11.011 -4.189 1.00 0.73 C ATOM 1484 O GLY A 95 -14.047 -11.108 -5.055 1.00 0.82 O ATOM 0 H GLY A 95 -12.132 -10.981 -1.246 1.00 0.66 H new ATOM 0 HA2 GLY A 95 -13.988 -12.452 -2.834 1.00 0.71 H new ATOM 0 HA3 GLY A 95 -14.116 -10.795 -2.280 1.00 0.71 H new ATOM 1488 N VAL A 96 -11.988 -10.487 -4.428 1.00 0.66 N ATOM 1489 CA VAL A 96 -11.646 -9.979 -5.754 1.00 0.67 C ATOM 1490 C VAL A 96 -10.805 -10.971 -6.560 1.00 0.69 C ATOM 1491 O VAL A 96 -11.034 -11.155 -7.751 1.00 0.75 O ATOM 1492 CB VAL A 96 -10.888 -8.627 -5.668 1.00 0.63 C ATOM 1493 CG1 VAL A 96 -10.308 -8.233 -7.018 1.00 0.67 C ATOM 1494 CG2 VAL A 96 -11.798 -7.524 -5.154 1.00 0.65 C ATOM 0 H VAL A 96 -11.247 -10.401 -3.733 1.00 0.66 H new ATOM 0 HA VAL A 96 -12.595 -9.831 -6.269 1.00 0.67 H new ATOM 0 HB VAL A 96 -10.066 -8.760 -4.964 1.00 0.63 H new ATOM 0 HG11 VAL A 96 -9.783 -7.282 -6.925 1.00 0.67 H new ATOM 0 HG12 VAL A 96 -9.611 -9.001 -7.353 1.00 0.67 H new ATOM 0 HG13 VAL A 96 -11.114 -8.133 -7.745 1.00 0.67 H new ATOM 0 HG21 VAL A 96 -11.242 -6.588 -5.103 1.00 0.65 H new ATOM 0 HG22 VAL A 96 -12.645 -7.407 -5.830 1.00 0.65 H new ATOM 0 HG23 VAL A 96 -12.160 -7.785 -4.160 1.00 0.65 H new ATOM 1504 N GLN A 97 -9.846 -11.619 -5.911 1.00 0.66 N ATOM 1505 CA GLN A 97 -8.954 -12.540 -6.612 1.00 0.68 C ATOM 1506 C GLN A 97 -9.334 -14.009 -6.459 1.00 0.75 C ATOM 1507 O GLN A 97 -9.280 -14.760 -7.435 1.00 0.84 O ATOM 1508 CB GLN A 97 -7.518 -12.330 -6.137 1.00 0.63 C ATOM 1509 CG GLN A 97 -6.961 -10.973 -6.513 1.00 0.62 C ATOM 1510 CD GLN A 97 -5.528 -10.783 -6.074 1.00 0.59 C ATOM 1511 OE1 GLN A 97 -4.747 -11.731 -6.022 1.00 0.66 O ATOM 1512 NE2 GLN A 97 -5.176 -9.555 -5.747 1.00 0.55 N ATOM 0 H GLN A 97 -9.665 -11.527 -4.911 1.00 0.66 H new ATOM 0 HA GLN A 97 -9.050 -12.307 -7.673 1.00 0.68 H new ATOM 0 HB2 GLN A 97 -7.479 -12.445 -5.054 1.00 0.63 H new ATOM 0 HB3 GLN A 97 -6.883 -13.107 -6.563 1.00 0.63 H new ATOM 0 HG2 GLN A 97 -7.024 -10.847 -7.594 1.00 0.62 H new ATOM 0 HG3 GLN A 97 -7.579 -10.195 -6.065 1.00 0.62 H new ATOM 0 HE21 GLN A 97 -5.856 -8.797 -5.805 1.00 0.55 H new ATOM 0 HE22 GLN A 97 -4.224 -9.363 -5.436 1.00 0.55 H new ATOM 1521 N LYS A 98 -9.710 -14.430 -5.257 1.00 0.74 N ATOM 1522 CA LYS A 98 -10.049 -15.835 -5.033 1.00 0.81 C ATOM 1523 C LYS A 98 -11.476 -16.149 -5.468 1.00 0.88 C ATOM 1524 O LYS A 98 -11.687 -16.874 -6.443 1.00 1.03 O ATOM 1525 CB LYS A 98 -9.845 -16.220 -3.565 1.00 0.76 C ATOM 1526 CG LYS A 98 -9.942 -17.718 -3.313 1.00 0.88 C ATOM 1527 CD LYS A 98 -9.710 -18.065 -1.850 1.00 1.03 C ATOM 1528 CE LYS A 98 -8.245 -17.945 -1.465 1.00 1.34 C ATOM 1529 NZ LYS A 98 -8.058 -18.012 0.007 1.00 1.41 N1+ ATOM 0 H LYS A 98 -9.788 -13.833 -4.434 1.00 0.74 H new ATOM 0 HA LYS A 98 -9.374 -16.430 -5.648 1.00 0.81 H new ATOM 0 HB2 LYS A 98 -8.867 -15.867 -3.237 1.00 0.76 H new ATOM 0 HB3 LYS A 98 -10.590 -15.708 -2.956 1.00 0.76 H new ATOM 0 HG2 LYS A 98 -10.926 -18.074 -3.619 1.00 0.88 H new ATOM 0 HG3 LYS A 98 -9.209 -18.238 -3.930 1.00 0.88 H new ATOM 0 HD2 LYS A 98 -10.306 -17.404 -1.221 1.00 1.03 H new ATOM 0 HD3 LYS A 98 -10.054 -19.082 -1.659 1.00 1.03 H new ATOM 0 HE2 LYS A 98 -7.677 -18.744 -1.941 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -7.846 -17.003 -1.840 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -7.145 -17.584 0.261 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 -8.826 -17.493 0.479 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 -8.072 -19.006 0.314 1.00 1.41 H new ATOM 1543 N THR A 99 -12.452 -15.603 -4.755 1.00 0.82 N ATOM 1544 CA THR A 99 -13.847 -15.849 -5.080 1.00 0.94 C ATOM 1545 C THR A 99 -14.263 -15.062 -6.321 1.00 0.98 C ATOM 1546 O THR A 99 -15.067 -15.538 -7.122 1.00 1.08 O ATOM 1547 CB THR A 99 -14.769 -15.477 -3.906 1.00 0.96 C ATOM 1548 OG1 THR A 99 -14.025 -15.486 -2.680 1.00 0.95 O ATOM 1549 CG2 THR A 99 -15.929 -16.455 -3.801 1.00 1.31 C ATOM 0 H THR A 99 -12.303 -14.991 -3.953 1.00 0.82 H new ATOM 0 HA THR A 99 -13.949 -16.916 -5.281 1.00 0.94 H new ATOM 0 HB THR A 99 -15.167 -14.478 -4.086 1.00 0.96 H new ATOM 0 HG1 THR A 99 -14.617 -15.247 -1.936 1.00 0.95 H new ATOM 0 HG21 THR A 99 -16.568 -16.173 -2.964 1.00 1.31 H new ATOM 0 HG22 THR A 99 -16.509 -16.433 -4.724 1.00 1.31 H new ATOM 0 HG23 THR A 99 -15.543 -17.461 -3.639 1.00 1.31 H new ATOM 1557 N GLN A 100 -13.693 -13.863 -6.470 1.00 0.90 N ATOM 1558 CA GLN A 100 -13.986 -12.983 -7.606 1.00 0.94 C ATOM 1559 C GLN A 100 -15.476 -12.672 -7.674 1.00 1.01 C ATOM 1560 O GLN A 100 -16.064 -12.583 -8.755 1.00 1.10 O ATOM 1561 CB GLN A 100 -13.508 -13.608 -8.919 1.00 1.01 C ATOM 1562 CG GLN A 100 -12.012 -13.851 -8.959 1.00 0.99 C ATOM 1563 CD GLN A 100 -11.554 -14.484 -10.256 1.00 1.15 C ATOM 1564 OE1 GLN A 100 -12.176 -14.305 -11.304 1.00 1.41 O ATOM 1565 NE2 GLN A 100 -10.453 -15.219 -10.196 1.00 1.44 N ATOM 0 H GLN A 100 -13.018 -13.476 -5.810 1.00 0.90 H new ATOM 0 HA GLN A 100 -13.445 -12.049 -7.458 1.00 0.94 H new ATOM 0 HB2 GLN A 100 -14.027 -14.554 -9.073 1.00 1.01 H new ATOM 0 HB3 GLN A 100 -13.785 -12.954 -9.746 1.00 1.01 H new ATOM 0 HG2 GLN A 100 -11.491 -12.904 -8.819 1.00 0.99 H new ATOM 0 HG3 GLN A 100 -11.731 -14.496 -8.126 1.00 0.99 H new ATOM 0 HE21 GLN A 100 -9.969 -15.341 -9.306 1.00 1.44 H new ATOM 0 HE22 GLN A 100 -10.089 -15.663 -11.039 1.00 1.44 H new ATOM 1574 N THR A 101 -16.069 -12.507 -6.504 1.00 1.00 N ATOM 1575 CA THR A 101 -17.481 -12.206 -6.383 1.00 1.08 C ATOM 1576 C THR A 101 -17.726 -10.710 -6.477 1.00 1.03 C ATOM 1577 O THR A 101 -18.832 -10.265 -6.780 1.00 1.12 O ATOM 1578 CB THR A 101 -18.024 -12.731 -5.044 1.00 1.14 C ATOM 1579 OG1 THR A 101 -16.930 -12.975 -4.145 1.00 1.20 O ATOM 1580 CG2 THR A 101 -18.814 -14.012 -5.250 1.00 1.57 C ATOM 0 H THR A 101 -15.582 -12.579 -5.611 1.00 1.00 H new ATOM 0 HA THR A 101 -18.002 -12.699 -7.204 1.00 1.08 H new ATOM 0 HB THR A 101 -18.689 -11.980 -4.618 1.00 1.14 H new ATOM 0 HG1 THR A 101 -17.276 -13.308 -3.291 1.00 1.20 H new ATOM 0 HG21 THR A 101 -19.189 -14.366 -4.290 1.00 1.57 H new ATOM 0 HG22 THR A 101 -19.653 -13.819 -5.918 1.00 1.57 H new ATOM 0 HG23 THR A 101 -18.167 -14.771 -5.690 1.00 1.57 H new ATOM 1588 N ILE A 102 -16.680 -9.938 -6.220 1.00 0.91 N ATOM 1589 CA ILE A 102 -16.769 -8.488 -6.267 1.00 0.88 C ATOM 1590 C ILE A 102 -16.667 -7.994 -7.702 1.00 0.87 C ATOM 1591 O ILE A 102 -15.597 -8.028 -8.314 1.00 0.83 O ATOM 1592 CB ILE A 102 -15.670 -7.833 -5.401 1.00 0.83 C ATOM 1593 CG1 ILE A 102 -15.835 -8.261 -3.940 1.00 0.86 C ATOM 1594 CG2 ILE A 102 -15.710 -6.312 -5.519 1.00 0.84 C ATOM 1595 CD1 ILE A 102 -14.739 -7.768 -3.022 1.00 0.79 C ATOM 0 H ILE A 102 -15.756 -10.295 -5.976 1.00 0.91 H new ATOM 0 HA ILE A 102 -17.739 -8.200 -5.862 1.00 0.88 H new ATOM 0 HB ILE A 102 -14.699 -8.170 -5.764 1.00 0.83 H new ATOM 0 HG12 ILE A 102 -16.794 -7.895 -3.572 1.00 0.86 H new ATOM 0 HG13 ILE A 102 -15.870 -9.349 -3.894 1.00 0.86 H new ATOM 0 HG21 ILE A 102 -14.926 -5.878 -4.899 1.00 0.84 H new ATOM 0 HG22 ILE A 102 -15.552 -6.023 -6.558 1.00 0.84 H new ATOM 0 HG23 ILE A 102 -16.681 -5.946 -5.184 1.00 0.84 H new ATOM 0 HD11 ILE A 102 -14.931 -8.115 -2.007 1.00 0.79 H new ATOM 0 HD12 ILE A 102 -13.778 -8.155 -3.362 1.00 0.79 H new ATOM 0 HD13 ILE A 102 -14.716 -6.678 -3.035 1.00 0.79 H new ATOM 1607 N ARG A 103 -17.795 -7.564 -8.239 1.00 0.93 N ATOM 1608 CA ARG A 103 -17.852 -7.069 -9.603 1.00 0.95 C ATOM 1609 C ARG A 103 -18.407 -5.651 -9.640 1.00 0.96 C ATOM 1610 O ARG A 103 -18.208 -4.923 -10.611 1.00 0.99 O ATOM 1611 CB ARG A 103 -18.715 -7.996 -10.463 1.00 1.07 C ATOM 1612 CG ARG A 103 -18.168 -9.412 -10.586 1.00 1.12 C ATOM 1613 CD ARG A 103 -16.872 -9.447 -11.383 1.00 1.44 C ATOM 1614 NE ARG A 103 -16.246 -10.770 -11.349 1.00 1.88 N ATOM 1615 CZ ARG A 103 -14.994 -11.018 -11.743 1.00 2.52 C ATOM 1616 NH1 ARG A 103 -14.248 -10.040 -12.244 1.00 2.97 N1+ ATOM 1617 NH2 ARG A 103 -14.502 -12.251 -11.659 1.00 3.22 N ATOM 0 H ARG A 103 -18.689 -7.548 -7.748 1.00 0.93 H new ATOM 0 HA ARG A 103 -16.839 -7.051 -10.006 1.00 0.95 H new ATOM 0 HB2 ARG A 103 -19.718 -8.040 -10.038 1.00 1.07 H new ATOM 0 HB3 ARG A 103 -18.810 -7.566 -11.460 1.00 1.07 H new ATOM 0 HG2 ARG A 103 -17.995 -9.823 -9.591 1.00 1.12 H new ATOM 0 HG3 ARG A 103 -18.910 -10.048 -11.069 1.00 1.12 H new ATOM 0 HD2 ARG A 103 -17.074 -9.167 -12.417 1.00 1.44 H new ATOM 0 HD3 ARG A 103 -16.179 -8.707 -10.982 1.00 1.44 H new ATOM 0 HE ARG A 103 -16.801 -11.552 -11.002 1.00 1.88 H new ATOM 0 HH11 ARG A 103 -14.631 -9.098 -12.328 1.00 2.97 H new ATOM 0 HH12 ARG A 103 -13.292 -10.231 -12.545 1.00 2.97 H new ATOM 0 HH21 ARG A 103 -15.081 -13.007 -11.294 1.00 3.22 H new ATOM 0 HH22 ARG A 103 -13.546 -12.440 -11.960 1.00 3.22 H new ATOM 1631 N SER A 104 -19.108 -5.261 -8.585 1.00 0.97 N ATOM 1632 CA SER A 104 -19.684 -3.928 -8.507 1.00 1.01 C ATOM 1633 C SER A 104 -19.394 -3.300 -7.144 1.00 0.98 C ATOM 1634 O SER A 104 -18.876 -3.961 -6.241 1.00 0.94 O ATOM 1635 CB SER A 104 -21.196 -3.995 -8.749 1.00 1.13 C ATOM 1636 OG SER A 104 -21.685 -2.785 -9.311 1.00 1.51 O ATOM 0 H SER A 104 -19.291 -5.849 -7.772 1.00 0.97 H new ATOM 0 HA SER A 104 -19.230 -3.305 -9.278 1.00 1.01 H new ATOM 0 HB2 SER A 104 -21.423 -4.826 -9.417 1.00 1.13 H new ATOM 0 HB3 SER A 104 -21.708 -4.194 -7.808 1.00 1.13 H new ATOM 0 HG SER A 104 -22.651 -2.859 -9.456 1.00 1.51 H new ATOM 1642 N ALA A 105 -19.740 -2.024 -6.997 1.00 1.02 N ATOM 1643 CA ALA A 105 -19.525 -1.306 -5.744 1.00 1.02 C ATOM 1644 C ALA A 105 -20.403 -1.880 -4.639 1.00 1.05 C ATOM 1645 O ALA A 105 -20.067 -1.804 -3.459 1.00 1.03 O ATOM 1646 CB ALA A 105 -19.804 0.177 -5.930 1.00 1.08 C ATOM 0 H ALA A 105 -20.172 -1.464 -7.732 1.00 1.02 H new ATOM 0 HA ALA A 105 -18.482 -1.429 -5.451 1.00 1.02 H new ATOM 0 HB1 ALA A 105 -19.640 0.699 -4.987 1.00 1.08 H new ATOM 0 HB2 ALA A 105 -19.135 0.581 -6.690 1.00 1.08 H new ATOM 0 HB3 ALA A 105 -20.838 0.316 -6.246 1.00 1.08 H new ATOM 1652 N SER A 106 -21.520 -2.469 -5.041 1.00 1.12 N ATOM 1653 CA SER A 106 -22.456 -3.071 -4.111 1.00 1.17 C ATOM 1654 C SER A 106 -21.795 -4.213 -3.345 1.00 1.09 C ATOM 1655 O SER A 106 -22.109 -4.462 -2.178 1.00 1.09 O ATOM 1656 CB SER A 106 -23.662 -3.580 -4.890 1.00 1.28 C ATOM 1657 OG SER A 106 -23.338 -3.725 -6.265 1.00 1.43 O ATOM 0 H SER A 106 -21.800 -2.541 -6.019 1.00 1.12 H new ATOM 0 HA SER A 106 -22.777 -2.325 -3.384 1.00 1.17 H new ATOM 0 HB2 SER A 106 -23.988 -4.538 -4.484 1.00 1.28 H new ATOM 0 HB3 SER A 106 -24.495 -2.886 -4.777 1.00 1.28 H new ATOM 0 HG SER A 106 -23.547 -2.894 -6.740 1.00 1.43 H new ATOM 1663 N ASP A 107 -20.880 -4.905 -4.010 1.00 1.05 N ATOM 1664 CA ASP A 107 -20.169 -6.015 -3.392 1.00 0.99 C ATOM 1665 C ASP A 107 -19.186 -5.485 -2.363 1.00 0.91 C ATOM 1666 O ASP A 107 -19.031 -6.056 -1.285 1.00 0.89 O ATOM 1667 CB ASP A 107 -19.432 -6.838 -4.444 1.00 0.97 C ATOM 1668 CG ASP A 107 -20.351 -7.318 -5.547 1.00 1.25 C ATOM 1669 OD1 ASP A 107 -21.406 -7.913 -5.229 1.00 1.56 O1- ATOM 1670 OD2 ASP A 107 -20.035 -7.077 -6.733 1.00 1.89 O ATOM 0 H ASP A 107 -20.613 -4.717 -4.976 1.00 1.05 H new ATOM 0 HA ASP A 107 -20.895 -6.662 -2.899 1.00 0.99 H new ATOM 0 HB2 ASP A 107 -18.632 -6.237 -4.877 1.00 0.97 H new ATOM 0 HB3 ASP A 107 -18.962 -7.698 -3.966 1.00 0.97 H new ATOM 1675 N ILE A 108 -18.542 -4.372 -2.696 1.00 0.90 N ATOM 1676 CA ILE A 108 -17.584 -3.743 -1.796 1.00 0.84 C ATOM 1677 C ILE A 108 -18.301 -3.251 -0.542 1.00 0.86 C ATOM 1678 O ILE A 108 -17.806 -3.394 0.576 1.00 0.83 O ATOM 1679 CB ILE A 108 -16.873 -2.547 -2.465 1.00 0.85 C ATOM 1680 CG1 ILE A 108 -16.344 -2.937 -3.849 1.00 0.86 C ATOM 1681 CG2 ILE A 108 -15.738 -2.039 -1.585 1.00 0.80 C ATOM 1682 CD1 ILE A 108 -15.785 -1.773 -4.646 1.00 0.90 C ATOM 0 H ILE A 108 -18.667 -3.886 -3.584 1.00 0.90 H new ATOM 0 HA ILE A 108 -16.834 -4.491 -1.538 1.00 0.84 H new ATOM 0 HB ILE A 108 -17.600 -1.744 -2.589 1.00 0.85 H new ATOM 0 HG12 ILE A 108 -15.565 -3.690 -3.730 1.00 0.86 H new ATOM 0 HG13 ILE A 108 -17.150 -3.400 -4.418 1.00 0.86 H new ATOM 0 HG21 ILE A 108 -15.249 -1.196 -2.073 1.00 0.80 H new ATOM 0 HG22 ILE A 108 -16.139 -1.719 -0.623 1.00 0.80 H new ATOM 0 HG23 ILE A 108 -15.013 -2.838 -1.428 1.00 0.80 H new ATOM 0 HD11 ILE A 108 -15.431 -2.131 -5.613 1.00 0.90 H new ATOM 0 HD12 ILE A 108 -16.566 -1.028 -4.798 1.00 0.90 H new ATOM 0 HD13 ILE A 108 -14.956 -1.323 -4.100 1.00 0.90 H new ATOM 1694 N ARG A 109 -19.477 -2.674 -0.756 1.00 0.91 N ATOM 1695 CA ARG A 109 -20.309 -2.158 0.321 1.00 0.94 C ATOM 1696 C ARG A 109 -20.664 -3.263 1.315 1.00 0.94 C ATOM 1697 O ARG A 109 -20.604 -3.059 2.531 1.00 0.94 O ATOM 1698 CB ARG A 109 -21.581 -1.539 -0.272 1.00 1.00 C ATOM 1699 CG ARG A 109 -22.460 -0.823 0.738 1.00 1.05 C ATOM 1700 CD ARG A 109 -23.699 -0.247 0.065 1.00 1.12 C ATOM 1701 NE ARG A 109 -24.496 0.577 0.970 1.00 1.24 N ATOM 1702 CZ ARG A 109 -25.456 0.104 1.762 1.00 1.71 C ATOM 1703 NH1 ARG A 109 -25.748 -1.192 1.778 1.00 2.19 N1+ ATOM 1704 NH2 ARG A 109 -26.136 0.939 2.531 1.00 1.94 N ATOM 0 H ARG A 109 -19.881 -2.551 -1.685 1.00 0.91 H new ATOM 0 HA ARG A 109 -19.753 -1.392 0.862 1.00 0.94 H new ATOM 0 HB2 ARG A 109 -21.297 -0.834 -1.053 1.00 1.00 H new ATOM 0 HB3 ARG A 109 -22.165 -2.326 -0.750 1.00 1.00 H new ATOM 0 HG2 ARG A 109 -22.757 -1.517 1.524 1.00 1.05 H new ATOM 0 HG3 ARG A 109 -21.895 -0.023 1.216 1.00 1.05 H new ATOM 0 HD2 ARG A 109 -23.397 0.351 -0.794 1.00 1.12 H new ATOM 0 HD3 ARG A 109 -24.314 -1.063 -0.315 1.00 1.12 H new ATOM 0 HE ARG A 109 -24.305 1.579 0.997 1.00 1.24 H new ATOM 0 HH11 ARG A 109 -25.234 -1.838 1.179 1.00 2.19 H new ATOM 0 HH12 ARG A 109 -26.486 -1.541 2.390 1.00 2.19 H new ATOM 0 HH21 ARG A 109 -25.923 1.936 2.514 1.00 1.94 H new ATOM 0 HH22 ARG A 109 -26.873 0.585 3.141 1.00 1.94 H new ATOM 1718 N ASP A 110 -21.005 -4.436 0.789 1.00 0.95 N ATOM 1719 CA ASP A 110 -21.370 -5.579 1.618 1.00 0.97 C ATOM 1720 C ASP A 110 -20.225 -5.975 2.544 1.00 0.92 C ATOM 1721 O ASP A 110 -20.441 -6.283 3.717 1.00 0.92 O ATOM 1722 CB ASP A 110 -21.757 -6.770 0.743 1.00 1.01 C ATOM 1723 CG ASP A 110 -22.267 -7.943 1.559 1.00 1.34 C ATOM 1724 OD1 ASP A 110 -23.343 -7.813 2.183 1.00 1.95 O ATOM 1725 OD2 ASP A 110 -21.605 -9.000 1.572 1.00 1.85 O1- ATOM 0 H ASP A 110 -21.036 -4.620 -0.214 1.00 0.95 H new ATOM 0 HA ASP A 110 -22.225 -5.287 2.228 1.00 0.97 H new ATOM 0 HB2 ASP A 110 -22.525 -6.462 0.034 1.00 1.01 H new ATOM 0 HB3 ASP A 110 -20.892 -7.085 0.159 1.00 1.01 H new ATOM 1730 N VAL A 111 -19.009 -5.944 2.009 1.00 0.88 N ATOM 1731 CA VAL A 111 -17.814 -6.297 2.772 1.00 0.84 C ATOM 1732 C VAL A 111 -17.691 -5.436 4.026 1.00 0.84 C ATOM 1733 O VAL A 111 -17.388 -5.941 5.108 1.00 0.84 O ATOM 1734 CB VAL A 111 -16.530 -6.143 1.925 1.00 0.81 C ATOM 1735 CG1 VAL A 111 -15.287 -6.388 2.770 1.00 0.78 C ATOM 1736 CG2 VAL A 111 -16.562 -7.086 0.736 1.00 0.86 C ATOM 0 H VAL A 111 -18.823 -5.676 1.043 1.00 0.88 H new ATOM 0 HA VAL A 111 -17.922 -7.343 3.059 1.00 0.84 H new ATOM 0 HB VAL A 111 -16.489 -5.119 1.554 1.00 0.81 H new ATOM 0 HG11 VAL A 111 -14.398 -6.274 2.150 1.00 0.78 H new ATOM 0 HG12 VAL A 111 -15.255 -5.668 3.587 1.00 0.78 H new ATOM 0 HG13 VAL A 111 -15.318 -7.398 3.178 1.00 0.78 H new ATOM 0 HG21 VAL A 111 -15.651 -6.964 0.151 1.00 0.86 H new ATOM 0 HG22 VAL A 111 -16.632 -8.115 1.089 1.00 0.86 H new ATOM 0 HG23 VAL A 111 -17.427 -6.857 0.113 1.00 0.86 H new ATOM 1746 N PHE A 112 -17.940 -4.141 3.878 1.00 0.84 N ATOM 1747 CA PHE A 112 -17.858 -3.217 5.005 1.00 0.85 C ATOM 1748 C PHE A 112 -18.951 -3.522 6.028 1.00 0.89 C ATOM 1749 O PHE A 112 -18.723 -3.443 7.235 1.00 0.92 O ATOM 1750 CB PHE A 112 -17.967 -1.766 4.524 1.00 0.87 C ATOM 1751 CG PHE A 112 -16.694 -1.234 3.935 1.00 0.83 C ATOM 1752 CD1 PHE A 112 -16.376 -1.465 2.607 1.00 0.82 C ATOM 1753 CD2 PHE A 112 -15.810 -0.507 4.713 1.00 0.83 C ATOM 1754 CE1 PHE A 112 -15.202 -0.982 2.068 1.00 0.80 C ATOM 1755 CE2 PHE A 112 -14.633 -0.020 4.177 1.00 0.82 C ATOM 1756 CZ PHE A 112 -14.330 -0.259 2.853 1.00 0.79 C ATOM 0 H PHE A 112 -18.200 -3.707 2.992 1.00 0.84 H new ATOM 0 HA PHE A 112 -16.888 -3.348 5.484 1.00 0.85 H new ATOM 0 HB2 PHE A 112 -18.760 -1.697 3.779 1.00 0.87 H new ATOM 0 HB3 PHE A 112 -18.262 -1.135 5.362 1.00 0.87 H new ATOM 0 HD1 PHE A 112 -17.055 -2.030 1.986 1.00 0.82 H new ATOM 0 HD2 PHE A 112 -16.043 -0.318 5.751 1.00 0.83 H new ATOM 0 HE1 PHE A 112 -14.966 -1.170 1.031 1.00 0.80 H new ATOM 0 HE2 PHE A 112 -13.952 0.547 4.794 1.00 0.82 H new ATOM 0 HZ PHE A 112 -13.411 0.120 2.432 1.00 0.79 H new ATOM 1766 N ILE A 113 -20.130 -3.889 5.538 1.00 0.92 N ATOM 1767 CA ILE A 113 -21.251 -4.226 6.407 1.00 0.97 C ATOM 1768 C ILE A 113 -20.926 -5.483 7.208 1.00 0.99 C ATOM 1769 O ILE A 113 -21.191 -5.558 8.411 1.00 1.03 O ATOM 1770 CB ILE A 113 -22.543 -4.446 5.591 1.00 1.00 C ATOM 1771 CG1 ILE A 113 -22.925 -3.158 4.855 1.00 0.98 C ATOM 1772 CG2 ILE A 113 -23.680 -4.906 6.496 1.00 1.08 C ATOM 1773 CD1 ILE A 113 -24.112 -3.325 3.929 1.00 1.33 C ATOM 0 H ILE A 113 -20.334 -3.961 4.541 1.00 0.92 H new ATOM 0 HA ILE A 113 -21.416 -3.391 7.088 1.00 0.97 H new ATOM 0 HB ILE A 113 -22.361 -5.228 4.854 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -23.151 -2.383 5.587 1.00 0.98 H new ATOM 0 HG13 ILE A 113 -22.069 -2.811 4.277 1.00 0.98 H new ATOM 0 HG21 ILE A 113 -24.581 -5.055 5.901 1.00 1.08 H new ATOM 0 HG22 ILE A 113 -23.404 -5.844 6.978 1.00 1.08 H new ATOM 0 HG23 ILE A 113 -23.869 -4.148 7.257 1.00 1.08 H new ATOM 0 HD11 ILE A 113 -24.329 -2.375 3.440 1.00 1.33 H new ATOM 0 HD12 ILE A 113 -23.882 -4.077 3.175 1.00 1.33 H new ATOM 0 HD13 ILE A 113 -24.981 -3.643 4.505 1.00 1.33 H new ATOM 1785 N ASN A 114 -20.320 -6.455 6.530 1.00 0.97 N ATOM 1786 CA ASN A 114 -19.925 -7.717 7.153 1.00 1.00 C ATOM 1787 C ASN A 114 -18.858 -7.483 8.216 1.00 0.99 C ATOM 1788 O ASN A 114 -18.724 -8.266 9.158 1.00 1.02 O ATOM 1789 CB ASN A 114 -19.398 -8.705 6.102 1.00 1.01 C ATOM 1790 CG ASN A 114 -20.471 -9.146 5.130 1.00 1.40 C ATOM 1791 OD1 ASN A 114 -21.641 -9.274 5.492 1.00 1.72 O ATOM 1792 ND2 ASN A 114 -20.079 -9.383 3.887 1.00 1.93 N ATOM 0 H ASN A 114 -20.090 -6.391 5.538 1.00 0.97 H new ATOM 0 HA ASN A 114 -20.809 -8.144 7.626 1.00 1.00 H new ATOM 0 HB2 ASN A 114 -18.581 -8.241 5.550 1.00 1.01 H new ATOM 0 HB3 ASN A 114 -18.986 -9.580 6.605 1.00 1.01 H new ATOM 0 HD21 ASN A 114 -20.757 -9.684 3.187 1.00 1.93 H new ATOM 0 HD22 ASN A 114 -19.099 -9.264 3.630 1.00 1.93 H new ATOM 1799 N ALA A 115 -18.093 -6.410 8.051 1.00 0.97 N ATOM 1800 CA ALA A 115 -17.044 -6.063 9.005 1.00 0.97 C ATOM 1801 C ALA A 115 -17.640 -5.433 10.258 1.00 1.01 C ATOM 1802 O ALA A 115 -17.125 -5.607 11.365 1.00 1.10 O ATOM 1803 CB ALA A 115 -16.037 -5.125 8.360 1.00 0.94 C ATOM 0 H ALA A 115 -18.179 -5.765 7.266 1.00 0.97 H new ATOM 0 HA ALA A 115 -16.529 -6.977 9.300 1.00 0.97 H new ATOM 0 HB1 ALA A 115 -15.260 -4.874 9.082 1.00 0.94 H new ATOM 0 HB2 ALA A 115 -15.586 -5.614 7.496 1.00 0.94 H new ATOM 0 HB3 ALA A 115 -16.542 -4.214 8.039 1.00 0.94 H new ATOM 1809 N GLY A 116 -18.741 -4.718 10.079 1.00 1.01 N ATOM 1810 CA GLY A 116 -19.397 -4.075 11.198 1.00 1.05 C ATOM 1811 C GLY A 116 -19.693 -2.608 10.946 1.00 1.06 C ATOM 1812 O GLY A 116 -20.116 -1.891 11.854 1.00 1.15 O ATOM 0 H GLY A 116 -19.193 -4.572 9.176 1.00 1.01 H new ATOM 0 HA2 GLY A 116 -20.329 -4.597 11.415 1.00 1.05 H new ATOM 0 HA3 GLY A 116 -18.768 -4.167 12.083 1.00 1.05 H new ATOM 1816 N ILE A 117 -19.471 -2.156 9.718 1.00 1.01 N ATOM 1817 CA ILE A 117 -19.718 -0.767 9.356 1.00 1.02 C ATOM 1818 C ILE A 117 -21.162 -0.592 8.909 1.00 1.04 C ATOM 1819 O ILE A 117 -21.705 -1.433 8.191 1.00 1.06 O ATOM 1820 CB ILE A 117 -18.774 -0.292 8.227 1.00 0.97 C ATOM 1821 CG1 ILE A 117 -17.310 -0.573 8.590 1.00 0.94 C ATOM 1822 CG2 ILE A 117 -18.978 1.190 7.937 1.00 1.00 C ATOM 1823 CD1 ILE A 117 -16.865 0.062 9.892 1.00 1.61 C ATOM 0 H ILE A 117 -19.119 -2.734 8.954 1.00 1.01 H new ATOM 0 HA ILE A 117 -19.525 -0.160 10.241 1.00 1.02 H new ATOM 0 HB ILE A 117 -19.018 -0.853 7.325 1.00 0.97 H new ATOM 0 HG12 ILE A 117 -17.163 -1.651 8.655 1.00 0.94 H new ATOM 0 HG13 ILE A 117 -16.671 -0.212 7.784 1.00 0.94 H new ATOM 0 HG21 ILE A 117 -18.303 1.501 7.140 1.00 1.00 H new ATOM 0 HG22 ILE A 117 -20.009 1.362 7.627 1.00 1.00 H new ATOM 0 HG23 ILE A 117 -18.768 1.769 8.836 1.00 1.00 H new ATOM 0 HD11 ILE A 117 -15.819 -0.183 10.078 1.00 1.61 H new ATOM 0 HD12 ILE A 117 -16.978 1.144 9.826 1.00 1.61 H new ATOM 0 HD13 ILE A 117 -17.477 -0.318 10.710 1.00 1.61 H new ATOM 1835 N LYS A 118 -21.787 0.484 9.367 1.00 1.08 N ATOM 1836 CA LYS A 118 -23.166 0.777 9.001 1.00 1.12 C ATOM 1837 C LYS A 118 -23.243 1.185 7.538 1.00 1.11 C ATOM 1838 O LYS A 118 -22.448 2.004 7.074 1.00 1.07 O ATOM 1839 CB LYS A 118 -23.740 1.893 9.876 1.00 1.18 C ATOM 1840 CG LYS A 118 -23.861 1.516 11.340 1.00 1.29 C ATOM 1841 CD LYS A 118 -24.545 2.608 12.138 1.00 1.83 C ATOM 1842 CE LYS A 118 -24.265 2.473 13.628 1.00 1.95 C ATOM 1843 NZ LYS A 118 -22.821 2.633 13.949 1.00 2.73 N1+ ATOM 0 H LYS A 118 -21.361 1.168 9.992 1.00 1.08 H new ATOM 0 HA LYS A 118 -23.756 -0.126 9.158 1.00 1.12 H new ATOM 0 HB2 LYS A 118 -23.106 2.775 9.788 1.00 1.18 H new ATOM 0 HB3 LYS A 118 -24.724 2.169 9.498 1.00 1.18 H new ATOM 0 HG2 LYS A 118 -24.425 0.588 11.433 1.00 1.29 H new ATOM 0 HG3 LYS A 118 -22.869 1.329 11.752 1.00 1.29 H new ATOM 0 HD2 LYS A 118 -24.203 3.583 11.790 1.00 1.83 H new ATOM 0 HD3 LYS A 118 -25.620 2.567 11.964 1.00 1.83 H new ATOM 0 HE2 LYS A 118 -24.841 3.221 14.173 1.00 1.95 H new ATOM 0 HE3 LYS A 118 -24.605 1.496 13.972 1.00 1.95 H new ATOM 0 HZ1 LYS A 118 -22.715 2.904 14.947 1.00 2.73 H new ATOM 0 HZ2 LYS A 118 -22.326 1.734 13.780 1.00 2.73 H new ATOM 0 HZ3 LYS A 118 -22.411 3.373 13.344 1.00 2.73 H new ATOM 1857 N GLY A 119 -24.199 0.619 6.817 1.00 1.17 N ATOM 1858 CA GLY A 119 -24.363 0.940 5.412 1.00 1.19 C ATOM 1859 C GLY A 119 -24.617 2.419 5.178 1.00 1.19 C ATOM 1860 O GLY A 119 -24.016 3.025 4.292 1.00 1.19 O ATOM 0 H GLY A 119 -24.868 -0.060 7.181 1.00 1.17 H new ATOM 0 HA2 GLY A 119 -23.469 0.638 4.867 1.00 1.19 H new ATOM 0 HA3 GLY A 119 -25.194 0.363 5.006 1.00 1.19 H new ATOM 1864 N GLU A 120 -25.493 3.001 5.990 1.00 1.23 N ATOM 1865 CA GLU A 120 -25.828 4.415 5.874 1.00 1.27 C ATOM 1866 C GLU A 120 -24.612 5.290 6.162 1.00 1.20 C ATOM 1867 O GLU A 120 -24.409 6.321 5.516 1.00 1.22 O ATOM 1868 CB GLU A 120 -26.968 4.771 6.830 1.00 1.35 C ATOM 1869 CG GLU A 120 -28.311 4.194 6.415 1.00 1.80 C ATOM 1870 CD GLU A 120 -29.456 4.725 7.245 1.00 2.36 C ATOM 1871 OE1 GLU A 120 -29.663 4.222 8.368 1.00 2.98 O ATOM 1872 OE2 GLU A 120 -30.160 5.645 6.778 1.00 2.88 O1- ATOM 0 H GLU A 120 -25.985 2.513 6.738 1.00 1.23 H new ATOM 0 HA GLU A 120 -26.151 4.603 4.850 1.00 1.27 H new ATOM 0 HB2 GLU A 120 -26.720 4.411 7.828 1.00 1.35 H new ATOM 0 HB3 GLU A 120 -27.052 5.856 6.894 1.00 1.35 H new ATOM 0 HG2 GLU A 120 -28.492 4.424 5.365 1.00 1.80 H new ATOM 0 HG3 GLU A 120 -28.278 3.108 6.502 1.00 1.80 H new ATOM 1879 N GLU A 121 -23.807 4.870 7.128 1.00 1.16 N ATOM 1880 CA GLU A 121 -22.606 5.604 7.498 1.00 1.12 C ATOM 1881 C GLU A 121 -21.599 5.547 6.355 1.00 1.07 C ATOM 1882 O GLU A 121 -20.978 6.553 5.997 1.00 1.07 O ATOM 1883 CB GLU A 121 -21.999 5.018 8.776 1.00 1.10 C ATOM 1884 CG GLU A 121 -20.872 5.845 9.353 1.00 1.15 C ATOM 1885 CD GLU A 121 -20.351 5.266 10.647 1.00 1.70 C ATOM 1886 OE1 GLU A 121 -19.574 4.291 10.596 1.00 1.97 O ATOM 1887 OE2 GLU A 121 -20.724 5.776 11.726 1.00 2.52 O1- ATOM 0 H GLU A 121 -23.965 4.021 7.671 1.00 1.16 H new ATOM 0 HA GLU A 121 -22.867 6.645 7.689 1.00 1.12 H new ATOM 0 HB2 GLU A 121 -22.783 4.917 9.526 1.00 1.10 H new ATOM 0 HB3 GLU A 121 -21.629 4.015 8.564 1.00 1.10 H new ATOM 0 HG2 GLU A 121 -20.059 5.905 8.629 1.00 1.15 H new ATOM 0 HG3 GLU A 121 -21.221 6.863 9.526 1.00 1.15 H new ATOM 1894 N TYR A 122 -21.475 4.366 5.761 1.00 1.04 N ATOM 1895 CA TYR A 122 -20.562 4.149 4.653 1.00 1.01 C ATOM 1896 C TYR A 122 -20.965 5.007 3.456 1.00 1.05 C ATOM 1897 O TYR A 122 -20.130 5.691 2.858 1.00 1.05 O ATOM 1898 CB TYR A 122 -20.554 2.666 4.274 1.00 1.00 C ATOM 1899 CG TYR A 122 -19.637 2.328 3.125 1.00 0.95 C ATOM 1900 CD1 TYR A 122 -18.259 2.313 3.294 1.00 1.50 C ATOM 1901 CD2 TYR A 122 -20.149 2.025 1.871 1.00 1.30 C ATOM 1902 CE1 TYR A 122 -17.414 2.003 2.244 1.00 1.51 C ATOM 1903 CE2 TYR A 122 -19.313 1.714 0.818 1.00 1.28 C ATOM 1904 CZ TYR A 122 -17.945 1.705 1.009 1.00 0.93 C ATOM 1905 OH TYR A 122 -17.108 1.398 -0.037 1.00 0.95 O ATOM 0 H TYR A 122 -22.003 3.537 6.035 1.00 1.04 H new ATOM 0 HA TYR A 122 -19.557 4.441 4.957 1.00 1.01 H new ATOM 0 HB2 TYR A 122 -20.258 2.081 5.145 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -21.569 2.363 4.016 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -17.840 2.547 4.261 1.00 1.50 H new ATOM 0 HD2 TYR A 122 -21.218 2.033 1.717 1.00 1.30 H new ATOM 0 HE1 TYR A 122 -16.344 1.995 2.392 1.00 1.51 H new ATOM 0 HE2 TYR A 122 -19.727 1.479 -0.151 1.00 1.28 H new ATOM 0 HH TYR A 122 -17.568 1.570 -0.885 1.00 0.95 H new ATOM 1915 N ASP A 123 -22.253 4.991 3.133 1.00 1.11 N ATOM 1916 CA ASP A 123 -22.774 5.768 2.010 1.00 1.18 C ATOM 1917 C ASP A 123 -22.606 7.261 2.266 1.00 1.18 C ATOM 1918 O ASP A 123 -22.467 8.059 1.333 1.00 1.21 O ATOM 1919 CB ASP A 123 -24.251 5.444 1.761 1.00 1.25 C ATOM 1920 CG ASP A 123 -24.461 4.080 1.132 1.00 1.72 C ATOM 1921 OD1 ASP A 123 -23.726 3.729 0.184 1.00 2.25 O ATOM 1922 OD2 ASP A 123 -25.375 3.351 1.576 1.00 2.30 O1- ATOM 0 H ASP A 123 -22.958 4.449 3.632 1.00 1.11 H new ATOM 0 HA ASP A 123 -22.203 5.496 1.122 1.00 1.18 H new ATOM 0 HB2 ASP A 123 -24.791 5.489 2.707 1.00 1.25 H new ATOM 0 HB3 ASP A 123 -24.680 6.207 1.112 1.00 1.25 H new ATOM 1927 N ALA A 124 -22.630 7.637 3.537 1.00 1.18 N ATOM 1928 CA ALA A 124 -22.469 9.029 3.925 1.00 1.20 C ATOM 1929 C ALA A 124 -21.033 9.480 3.697 1.00 1.17 C ATOM 1930 O ALA A 124 -20.792 10.545 3.124 1.00 1.23 O ATOM 1931 CB ALA A 124 -22.867 9.222 5.380 1.00 1.21 C ATOM 0 H ALA A 124 -22.760 6.994 4.318 1.00 1.18 H new ATOM 0 HA ALA A 124 -23.124 9.642 3.305 1.00 1.20 H new ATOM 0 HB1 ALA A 124 -22.741 10.269 5.656 1.00 1.21 H new ATOM 0 HB2 ALA A 124 -23.910 8.935 5.513 1.00 1.21 H new ATOM 0 HB3 ALA A 124 -22.236 8.601 6.015 1.00 1.21 H new ATOM 1937 N ALA A 125 -20.086 8.653 4.127 1.00 1.09 N ATOM 1938 CA ALA A 125 -18.663 8.955 3.977 1.00 1.06 C ATOM 1939 C ALA A 125 -18.267 8.988 2.505 1.00 1.08 C ATOM 1940 O ALA A 125 -17.407 9.769 2.094 1.00 1.11 O ATOM 1941 CB ALA A 125 -17.829 7.926 4.725 1.00 1.02 C ATOM 0 H ALA A 125 -20.278 7.762 4.585 1.00 1.09 H new ATOM 0 HA ALA A 125 -18.474 9.941 4.402 1.00 1.06 H new ATOM 0 HB1 ALA A 125 -16.771 8.160 4.607 1.00 1.02 H new ATOM 0 HB2 ALA A 125 -18.089 7.946 5.783 1.00 1.02 H new ATOM 0 HB3 ALA A 125 -18.028 6.933 4.321 1.00 1.02 H new ATOM 1947 N TRP A 126 -18.903 8.133 1.716 1.00 1.07 N ATOM 1948 CA TRP A 126 -18.648 8.057 0.280 1.00 1.10 C ATOM 1949 C TRP A 126 -18.924 9.405 -0.385 1.00 1.21 C ATOM 1950 O TRP A 126 -18.331 9.744 -1.409 1.00 1.25 O ATOM 1951 CB TRP A 126 -19.534 6.970 -0.348 1.00 1.12 C ATOM 1952 CG TRP A 126 -19.183 6.644 -1.772 1.00 1.15 C ATOM 1953 CD1 TRP A 126 -19.559 7.330 -2.893 1.00 1.31 C ATOM 1954 CD2 TRP A 126 -18.393 5.540 -2.228 1.00 1.04 C ATOM 1955 NE1 TRP A 126 -19.042 6.724 -4.014 1.00 1.30 N ATOM 1956 CE2 TRP A 126 -18.327 5.621 -3.632 1.00 1.14 C ATOM 1957 CE3 TRP A 126 -17.734 4.491 -1.583 1.00 0.92 C ATOM 1958 CZ2 TRP A 126 -17.626 4.696 -4.400 1.00 1.09 C ATOM 1959 CZ3 TRP A 126 -17.042 3.572 -2.348 1.00 0.89 C ATOM 1960 CH2 TRP A 126 -16.990 3.679 -3.742 1.00 0.96 C ATOM 0 H TRP A 126 -19.607 7.475 2.049 1.00 1.07 H new ATOM 0 HA TRP A 126 -17.600 7.802 0.123 1.00 1.10 H new ATOM 0 HB2 TRP A 126 -19.458 6.063 0.251 1.00 1.12 H new ATOM 0 HB3 TRP A 126 -20.574 7.294 -0.306 1.00 1.12 H new ATOM 0 HD1 TRP A 126 -20.173 8.219 -2.898 1.00 1.31 H new ATOM 0 HE1 TRP A 126 -19.170 7.044 -4.974 1.00 1.30 H new ATOM 0 HE3 TRP A 126 -17.765 4.400 -0.507 1.00 0.92 H new ATOM 0 HZ2 TRP A 126 -17.586 4.778 -5.476 1.00 1.09 H new ATOM 0 HZ3 TRP A 126 -16.531 2.755 -1.860 1.00 0.89 H new ATOM 0 HH2 TRP A 126 -16.437 2.945 -4.309 1.00 0.96 H new ATOM 1971 N ASN A 127 -19.809 10.182 0.226 1.00 1.27 N ATOM 1972 CA ASN A 127 -20.183 11.488 -0.306 1.00 1.39 C ATOM 1973 C ASN A 127 -19.489 12.624 0.448 1.00 1.41 C ATOM 1974 O ASN A 127 -19.993 13.752 0.491 1.00 1.53 O ATOM 1975 CB ASN A 127 -21.706 11.662 -0.226 1.00 1.49 C ATOM 1976 CG ASN A 127 -22.442 10.971 -1.359 1.00 1.52 C ATOM 1977 OD1 ASN A 127 -22.716 11.574 -2.397 1.00 1.63 O ATOM 1978 ND2 ASN A 127 -22.779 9.706 -1.161 1.00 1.49 N ATOM 0 H ASN A 127 -20.283 9.930 1.093 1.00 1.27 H new ATOM 0 HA ASN A 127 -19.860 11.533 -1.346 1.00 1.39 H new ATOM 0 HB2 ASN A 127 -22.062 11.267 0.725 1.00 1.49 H new ATOM 0 HB3 ASN A 127 -21.946 12.725 -0.239 1.00 1.49 H new ATOM 0 HD21 ASN A 127 -23.285 9.194 -1.884 1.00 1.49 H new ATOM 0 HD22 ASN A 127 -22.532 9.244 -0.286 1.00 1.49 H new ATOM 1985 N SER A 128 -18.336 12.335 1.032 1.00 1.34 N ATOM 1986 CA SER A 128 -17.593 13.336 1.779 1.00 1.37 C ATOM 1987 C SER A 128 -16.429 13.886 0.957 1.00 1.36 C ATOM 1988 O SER A 128 -15.783 13.153 0.204 1.00 1.34 O ATOM 1989 CB SER A 128 -17.078 12.749 3.096 1.00 1.32 C ATOM 1990 OG SER A 128 -16.304 13.701 3.808 1.00 2.04 O ATOM 0 H SER A 128 -17.895 11.416 1.003 1.00 1.34 H new ATOM 0 HA SER A 128 -18.272 14.159 2.001 1.00 1.37 H new ATOM 0 HB2 SER A 128 -17.920 12.428 3.709 1.00 1.32 H new ATOM 0 HB3 SER A 128 -16.475 11.864 2.893 1.00 1.32 H new ATOM 0 HG SER A 128 -15.987 13.304 4.646 1.00 2.04 H new ATOM 1996 N PHE A 129 -16.173 15.184 1.119 1.00 1.41 N ATOM 1997 CA PHE A 129 -15.087 15.864 0.417 1.00 1.43 C ATOM 1998 C PHE A 129 -13.729 15.334 0.872 1.00 1.32 C ATOM 1999 O PHE A 129 -12.758 15.340 0.107 1.00 1.24 O ATOM 2000 CB PHE A 129 -15.172 17.381 0.653 1.00 1.58 C ATOM 2001 CG PHE A 129 -14.035 18.156 0.057 1.00 2.28 C ATOM 2002 CD1 PHE A 129 -13.763 18.084 -1.299 1.00 2.61 C ATOM 2003 CD2 PHE A 129 -13.238 18.957 0.855 1.00 2.95 C ATOM 2004 CE1 PHE A 129 -12.717 18.797 -1.846 1.00 3.39 C ATOM 2005 CE2 PHE A 129 -12.190 19.673 0.314 1.00 3.66 C ATOM 2006 CZ PHE A 129 -11.929 19.593 -1.039 1.00 3.82 C ATOM 0 H PHE A 129 -16.711 15.791 1.738 1.00 1.41 H new ATOM 0 HA PHE A 129 -15.191 15.665 -0.650 1.00 1.43 H new ATOM 0 HB2 PHE A 129 -16.109 17.751 0.236 1.00 1.58 H new ATOM 0 HB3 PHE A 129 -15.204 17.570 1.726 1.00 1.58 H new ATOM 0 HD1 PHE A 129 -14.377 17.463 -1.935 1.00 2.61 H new ATOM 0 HD2 PHE A 129 -13.439 19.023 1.914 1.00 2.95 H new ATOM 0 HE1 PHE A 129 -12.514 18.733 -2.905 1.00 3.39 H new ATOM 0 HE2 PHE A 129 -11.575 20.295 0.948 1.00 3.66 H new ATOM 0 HZ PHE A 129 -11.110 20.152 -1.466 1.00 3.82 H new ATOM 2016 N VAL A 130 -13.665 14.861 2.113 1.00 1.34 N ATOM 2017 CA VAL A 130 -12.426 14.322 2.659 1.00 1.27 C ATOM 2018 C VAL A 130 -11.997 13.110 1.847 1.00 1.13 C ATOM 2019 O VAL A 130 -10.833 12.979 1.459 1.00 1.06 O ATOM 2020 CB VAL A 130 -12.589 13.916 4.136 1.00 1.34 C ATOM 2021 CG1 VAL A 130 -11.268 13.421 4.711 1.00 1.30 C ATOM 2022 CG2 VAL A 130 -13.133 15.075 4.959 1.00 1.53 C ATOM 0 H VAL A 130 -14.455 14.840 2.758 1.00 1.34 H new ATOM 0 HA VAL A 130 -11.666 15.101 2.602 1.00 1.27 H new ATOM 0 HB VAL A 130 -13.308 13.098 4.183 1.00 1.34 H new ATOM 0 HG11 VAL A 130 -11.408 13.140 5.755 1.00 1.30 H new ATOM 0 HG12 VAL A 130 -10.927 12.554 4.145 1.00 1.30 H new ATOM 0 HG13 VAL A 130 -10.523 14.214 4.645 1.00 1.30 H new ATOM 0 HG21 VAL A 130 -13.240 14.765 5.998 1.00 1.53 H new ATOM 0 HG22 VAL A 130 -12.444 15.918 4.901 1.00 1.53 H new ATOM 0 HG23 VAL A 130 -14.106 15.374 4.568 1.00 1.53 H new ATOM 2032 N VAL A 131 -12.961 12.239 1.571 1.00 1.11 N ATOM 2033 CA VAL A 131 -12.717 11.038 0.790 1.00 1.01 C ATOM 2034 C VAL A 131 -12.313 11.413 -0.634 1.00 0.96 C ATOM 2035 O VAL A 131 -11.355 10.865 -1.174 1.00 0.90 O ATOM 2036 CB VAL A 131 -13.967 10.126 0.770 1.00 1.04 C ATOM 2037 CG1 VAL A 131 -13.758 8.923 -0.142 1.00 0.98 C ATOM 2038 CG2 VAL A 131 -14.309 9.676 2.186 1.00 1.08 C ATOM 0 H VAL A 131 -13.927 12.347 1.881 1.00 1.11 H new ATOM 0 HA VAL A 131 -11.902 10.485 1.258 1.00 1.01 H new ATOM 0 HB VAL A 131 -14.803 10.701 0.372 1.00 1.04 H new ATOM 0 HG11 VAL A 131 -14.653 8.301 -0.135 1.00 0.98 H new ATOM 0 HG12 VAL A 131 -13.562 9.266 -1.158 1.00 0.98 H new ATOM 0 HG13 VAL A 131 -12.909 8.340 0.214 1.00 0.98 H new ATOM 0 HG21 VAL A 131 -15.190 9.035 2.161 1.00 1.08 H new ATOM 0 HG22 VAL A 131 -13.469 9.122 2.605 1.00 1.08 H new ATOM 0 HG23 VAL A 131 -14.513 10.549 2.806 1.00 1.08 H new ATOM 2048 N LYS A 132 -13.027 12.378 -1.216 1.00 1.02 N ATOM 2049 CA LYS A 132 -12.741 12.845 -2.573 1.00 1.01 C ATOM 2050 C LYS A 132 -11.290 13.298 -2.692 1.00 0.96 C ATOM 2051 O LYS A 132 -10.596 12.963 -3.658 1.00 0.91 O ATOM 2052 CB LYS A 132 -13.667 14.003 -2.946 1.00 1.11 C ATOM 2053 CG LYS A 132 -15.122 13.597 -3.108 1.00 1.32 C ATOM 2054 CD LYS A 132 -15.947 14.718 -3.721 1.00 1.44 C ATOM 2055 CE LYS A 132 -17.397 14.299 -3.922 1.00 1.93 C ATOM 2056 NZ LYS A 132 -18.221 15.381 -4.524 1.00 2.43 N1+ ATOM 0 H LYS A 132 -13.810 12.853 -0.767 1.00 1.02 H new ATOM 0 HA LYS A 132 -12.911 12.014 -3.257 1.00 1.01 H new ATOM 0 HB2 LYS A 132 -13.598 14.773 -2.178 1.00 1.11 H new ATOM 0 HB3 LYS A 132 -13.318 14.449 -3.877 1.00 1.11 H new ATOM 0 HG2 LYS A 132 -15.186 12.710 -3.738 1.00 1.32 H new ATOM 0 HG3 LYS A 132 -15.536 13.328 -2.136 1.00 1.32 H new ATOM 0 HD2 LYS A 132 -15.907 15.595 -3.075 1.00 1.44 H new ATOM 0 HD3 LYS A 132 -15.515 15.007 -4.679 1.00 1.44 H new ATOM 0 HE2 LYS A 132 -17.432 13.419 -4.564 1.00 1.93 H new ATOM 0 HE3 LYS A 132 -17.826 14.011 -2.962 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 -19.199 15.048 -4.641 1.00 2.43 H new ATOM 0 HZ2 LYS A 132 -18.211 16.213 -3.900 1.00 2.43 H new ATOM 0 HZ3 LYS A 132 -17.830 15.640 -5.452 1.00 2.43 H new ATOM 2070 N SER A 133 -10.834 14.050 -1.698 1.00 0.99 N ATOM 2071 CA SER A 133 -9.468 14.553 -1.674 1.00 0.96 C ATOM 2072 C SER A 133 -8.469 13.402 -1.535 1.00 0.88 C ATOM 2073 O SER A 133 -7.412 13.409 -2.167 1.00 0.86 O ATOM 2074 CB SER A 133 -9.298 15.554 -0.532 1.00 1.04 C ATOM 2075 OG SER A 133 -10.181 16.652 -0.691 1.00 1.47 O ATOM 0 H SER A 133 -11.396 14.326 -0.893 1.00 0.99 H new ATOM 0 HA SER A 133 -9.268 15.061 -2.617 1.00 0.96 H new ATOM 0 HB2 SER A 133 -9.490 15.062 0.421 1.00 1.04 H new ATOM 0 HB3 SER A 133 -8.268 15.910 -0.505 1.00 1.04 H new ATOM 0 HG SER A 133 -11.090 16.379 -0.447 1.00 1.47 H new ATOM 2081 N LEU A 134 -8.817 12.413 -0.716 1.00 0.85 N ATOM 2082 CA LEU A 134 -7.956 11.253 -0.502 1.00 0.79 C ATOM 2083 C LEU A 134 -7.793 10.454 -1.792 1.00 0.72 C ATOM 2084 O LEU A 134 -6.715 9.933 -2.080 1.00 0.69 O ATOM 2085 CB LEU A 134 -8.520 10.361 0.608 1.00 0.80 C ATOM 2086 CG LEU A 134 -8.280 10.870 2.032 1.00 0.88 C ATOM 2087 CD1 LEU A 134 -9.013 10.003 3.047 1.00 0.91 C ATOM 2088 CD2 LEU A 134 -6.788 10.913 2.335 1.00 0.93 C ATOM 0 H LEU A 134 -9.690 12.392 -0.189 1.00 0.85 H new ATOM 0 HA LEU A 134 -6.974 11.613 -0.194 1.00 0.79 H new ATOM 0 HB2 LEU A 134 -9.593 10.250 0.454 1.00 0.80 H new ATOM 0 HB3 LEU A 134 -8.080 9.368 0.514 1.00 0.80 H new ATOM 0 HG LEU A 134 -8.676 11.883 2.107 1.00 0.88 H new ATOM 0 HD11 LEU A 134 -8.828 10.383 4.052 1.00 0.91 H new ATOM 0 HD12 LEU A 134 -10.083 10.028 2.841 1.00 0.91 H new ATOM 0 HD13 LEU A 134 -8.653 8.977 2.976 1.00 0.91 H new ATOM 0 HD21 LEU A 134 -6.633 11.277 3.351 1.00 0.93 H new ATOM 0 HD22 LEU A 134 -6.369 9.911 2.241 1.00 0.93 H new ATOM 0 HD23 LEU A 134 -6.293 11.582 1.631 1.00 0.93 H new ATOM 2100 N VAL A 135 -8.871 10.354 -2.562 1.00 0.73 N ATOM 2101 CA VAL A 135 -8.836 9.639 -3.834 1.00 0.69 C ATOM 2102 C VAL A 135 -7.913 10.360 -4.811 1.00 0.68 C ATOM 2103 O VAL A 135 -7.079 9.738 -5.468 1.00 0.63 O ATOM 2104 CB VAL A 135 -10.244 9.500 -4.453 1.00 0.75 C ATOM 2105 CG1 VAL A 135 -10.192 8.709 -5.751 1.00 0.73 C ATOM 2106 CG2 VAL A 135 -11.197 8.841 -3.470 1.00 0.80 C ATOM 0 H VAL A 135 -9.778 10.758 -2.329 1.00 0.73 H new ATOM 0 HA VAL A 135 -8.456 8.636 -3.639 1.00 0.69 H new ATOM 0 HB VAL A 135 -10.613 10.501 -4.678 1.00 0.75 H new ATOM 0 HG11 VAL A 135 -11.196 8.625 -6.167 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -9.546 9.221 -6.464 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -9.797 7.712 -5.554 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -12.184 8.752 -3.924 1.00 0.80 H new ATOM 0 HG22 VAL A 135 -10.825 7.849 -3.212 1.00 0.80 H new ATOM 0 HG23 VAL A 135 -11.266 9.449 -2.568 1.00 0.80 H new ATOM 2116 N ALA A 136 -8.049 11.681 -4.865 1.00 0.74 N ATOM 2117 CA ALA A 136 -7.231 12.507 -5.747 1.00 0.75 C ATOM 2118 C ALA A 136 -5.751 12.369 -5.404 1.00 0.70 C ATOM 2119 O ALA A 136 -4.896 12.386 -6.289 1.00 0.68 O ATOM 2120 CB ALA A 136 -7.660 13.963 -5.659 1.00 0.85 C ATOM 0 H ALA A 136 -8.722 12.205 -4.305 1.00 0.74 H new ATOM 0 HA ALA A 136 -7.378 12.160 -6.770 1.00 0.75 H new ATOM 0 HB1 ALA A 136 -7.040 14.566 -6.323 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.705 14.053 -5.957 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -7.543 14.315 -4.634 1.00 0.85 H new ATOM 2126 N GLN A 137 -5.459 12.236 -4.115 1.00 0.72 N ATOM 2127 CA GLN A 137 -4.085 12.082 -3.656 1.00 0.71 C ATOM 2128 C GLN A 137 -3.463 10.812 -4.220 1.00 0.63 C ATOM 2129 O GLN A 137 -2.336 10.832 -4.714 1.00 0.63 O ATOM 2130 CB GLN A 137 -4.025 12.047 -2.128 1.00 0.78 C ATOM 2131 CG GLN A 137 -4.285 13.389 -1.473 1.00 0.84 C ATOM 2132 CD GLN A 137 -4.355 13.297 0.036 1.00 0.83 C ATOM 2133 OE1 GLN A 137 -3.716 12.445 0.654 1.00 1.08 O ATOM 2134 NE2 GLN A 137 -5.134 14.178 0.639 1.00 1.39 N ATOM 0 H GLN A 137 -6.156 12.232 -3.370 1.00 0.72 H new ATOM 0 HA GLN A 137 -3.518 12.941 -4.015 1.00 0.71 H new ATOM 0 HB2 GLN A 137 -4.757 11.327 -1.762 1.00 0.78 H new ATOM 0 HB3 GLN A 137 -3.043 11.688 -1.821 1.00 0.78 H new ATOM 0 HG2 GLN A 137 -3.495 14.085 -1.754 1.00 0.84 H new ATOM 0 HG3 GLN A 137 -5.221 13.799 -1.852 1.00 0.84 H new ATOM 0 HE21 GLN A 137 -5.646 14.867 0.088 1.00 1.39 H new ATOM 0 HE22 GLN A 137 -5.223 14.169 1.655 1.00 1.39 H new ATOM 2143 N GLN A 138 -4.212 9.717 -4.161 1.00 0.58 N ATOM 2144 CA GLN A 138 -3.740 8.430 -4.651 1.00 0.52 C ATOM 2145 C GLN A 138 -3.486 8.480 -6.157 1.00 0.55 C ATOM 2146 O GLN A 138 -2.490 7.945 -6.647 1.00 0.58 O ATOM 2147 CB GLN A 138 -4.767 7.343 -4.322 1.00 0.50 C ATOM 2148 CG GLN A 138 -5.034 7.193 -2.828 1.00 0.50 C ATOM 2149 CD GLN A 138 -6.222 6.303 -2.519 1.00 0.50 C ATOM 2150 OE1 GLN A 138 -6.087 5.089 -2.388 1.00 0.49 O ATOM 2151 NE2 GLN A 138 -7.394 6.901 -2.379 1.00 0.61 N ATOM 0 H GLN A 138 -5.156 9.697 -3.775 1.00 0.58 H new ATOM 0 HA GLN A 138 -2.797 8.195 -4.157 1.00 0.52 H new ATOM 0 HB2 GLN A 138 -5.704 7.573 -4.829 1.00 0.50 H new ATOM 0 HB3 GLN A 138 -4.416 6.390 -4.718 1.00 0.50 H new ATOM 0 HG2 GLN A 138 -4.146 6.783 -2.346 1.00 0.50 H new ATOM 0 HG3 GLN A 138 -5.205 8.179 -2.395 1.00 0.50 H new ATOM 0 HE21 GLN A 138 -7.468 7.912 -2.495 1.00 0.61 H new ATOM 0 HE22 GLN A 138 -8.223 6.351 -2.155 1.00 0.61 H new ATOM 2160 N GLU A 139 -4.383 9.140 -6.878 1.00 0.60 N ATOM 2161 CA GLU A 139 -4.267 9.269 -8.326 1.00 0.67 C ATOM 2162 C GLU A 139 -3.091 10.168 -8.712 1.00 0.64 C ATOM 2163 O GLU A 139 -2.370 9.886 -9.670 1.00 0.66 O ATOM 2164 CB GLU A 139 -5.555 9.853 -8.916 1.00 0.78 C ATOM 2165 CG GLU A 139 -6.805 9.044 -8.603 1.00 1.18 C ATOM 2166 CD GLU A 139 -8.047 9.598 -9.273 1.00 2.12 C ATOM 2167 OE1 GLU A 139 -8.580 10.621 -8.794 1.00 2.63 O1- ATOM 2168 OE2 GLU A 139 -8.498 9.012 -10.281 1.00 2.82 O ATOM 0 H GLU A 139 -5.204 9.597 -6.481 1.00 0.60 H new ATOM 0 HA GLU A 139 -4.095 8.271 -8.729 1.00 0.67 H new ATOM 0 HB2 GLU A 139 -5.688 10.867 -8.538 1.00 0.78 H new ATOM 0 HB3 GLU A 139 -5.445 9.928 -9.998 1.00 0.78 H new ATOM 0 HG2 GLU A 139 -6.654 8.013 -8.923 1.00 1.18 H new ATOM 0 HG3 GLU A 139 -6.958 9.024 -7.524 1.00 1.18 H new ATOM 2175 N LYS A 140 -2.909 11.250 -7.963 1.00 0.64 N ATOM 2176 CA LYS A 140 -1.842 12.206 -8.238 1.00 0.65 C ATOM 2177 C LYS A 140 -0.462 11.653 -7.887 1.00 0.63 C ATOM 2178 O LYS A 140 0.449 11.702 -8.710 1.00 0.64 O ATOM 2179 CB LYS A 140 -2.089 13.515 -7.478 1.00 0.71 C ATOM 2180 CG LYS A 140 -1.053 14.585 -7.778 1.00 0.85 C ATOM 2181 CD LYS A 140 -1.311 15.866 -7.007 1.00 1.16 C ATOM 2182 CE LYS A 140 -0.224 16.897 -7.269 1.00 1.57 C ATOM 2183 NZ LYS A 140 1.041 16.570 -6.561 1.00 1.95 N1+ ATOM 0 H LYS A 140 -3.489 11.488 -7.158 1.00 0.64 H new ATOM 0 HA LYS A 140 -1.855 12.398 -9.311 1.00 0.65 H new ATOM 0 HB2 LYS A 140 -3.078 13.895 -7.733 1.00 0.71 H new ATOM 0 HB3 LYS A 140 -2.092 13.311 -6.407 1.00 0.71 H new ATOM 0 HG2 LYS A 140 -0.061 14.207 -7.530 1.00 0.85 H new ATOM 0 HG3 LYS A 140 -1.054 14.800 -8.847 1.00 0.85 H new ATOM 0 HD2 LYS A 140 -2.280 16.276 -7.292 1.00 1.16 H new ATOM 0 HD3 LYS A 140 -1.359 15.648 -5.940 1.00 1.16 H new ATOM 0 HE2 LYS A 140 -0.034 16.958 -8.341 1.00 1.57 H new ATOM 0 HE3 LYS A 140 -0.573 17.879 -6.951 1.00 1.57 H new ATOM 0 HZ1 LYS A 140 1.632 17.423 -6.495 1.00 1.95 H new ATOM 0 HZ2 LYS A 140 0.824 16.224 -5.605 1.00 1.95 H new ATOM 0 HZ3 LYS A 140 1.553 15.834 -7.088 1.00 1.95 H new ATOM 2197 N ALA A 141 -0.323 11.110 -6.682 1.00 0.62 N ATOM 2198 CA ALA A 141 0.954 10.573 -6.213 1.00 0.62 C ATOM 2199 C ALA A 141 1.505 9.496 -7.146 1.00 0.58 C ATOM 2200 O ALA A 141 2.704 9.458 -7.423 1.00 0.60 O ATOM 2201 CB ALA A 141 0.798 10.023 -4.801 1.00 0.65 C ATOM 0 H ALA A 141 -1.083 11.029 -6.007 1.00 0.62 H new ATOM 0 HA ALA A 141 1.674 11.391 -6.208 1.00 0.62 H new ATOM 0 HB1 ALA A 141 1.753 9.625 -4.458 1.00 0.65 H new ATOM 0 HB2 ALA A 141 0.477 10.822 -4.133 1.00 0.65 H new ATOM 0 HB3 ALA A 141 0.052 9.228 -4.800 1.00 0.65 H new ATOM 2207 N ALA A 142 0.625 8.635 -7.639 1.00 0.56 N ATOM 2208 CA ALA A 142 1.025 7.557 -8.536 1.00 0.54 C ATOM 2209 C ALA A 142 1.551 8.096 -9.868 1.00 0.57 C ATOM 2210 O ALA A 142 2.430 7.495 -10.490 1.00 0.61 O ATOM 2211 CB ALA A 142 -0.143 6.609 -8.763 1.00 0.53 C ATOM 0 H ALA A 142 -0.374 8.662 -7.433 1.00 0.56 H new ATOM 0 HA ALA A 142 1.841 7.010 -8.063 1.00 0.54 H new ATOM 0 HB1 ALA A 142 0.164 5.807 -9.434 1.00 0.53 H new ATOM 0 HB2 ALA A 142 -0.457 6.184 -7.810 1.00 0.53 H new ATOM 0 HB3 ALA A 142 -0.974 7.156 -9.208 1.00 0.53 H new ATOM 2217 N ALA A 143 1.026 9.234 -10.291 1.00 0.58 N ATOM 2218 CA ALA A 143 1.437 9.840 -11.547 1.00 0.63 C ATOM 2219 C ALA A 143 2.640 10.758 -11.350 1.00 0.66 C ATOM 2220 O ALA A 143 3.455 10.928 -12.257 1.00 0.72 O ATOM 2221 CB ALA A 143 0.278 10.607 -12.158 1.00 0.69 C ATOM 0 H ALA A 143 0.313 9.758 -9.782 1.00 0.58 H new ATOM 0 HA ALA A 143 1.735 9.043 -12.229 1.00 0.63 H new ATOM 0 HB1 ALA A 143 0.595 11.057 -13.098 1.00 0.69 H new ATOM 0 HB2 ALA A 143 -0.552 9.925 -12.344 1.00 0.69 H new ATOM 0 HB3 ALA A 143 -0.043 11.390 -11.471 1.00 0.69 H new ATOM 2227 N ASP A 144 2.750 11.340 -10.162 1.00 0.67 N ATOM 2228 CA ASP A 144 3.850 12.249 -9.845 1.00 0.71 C ATOM 2229 C ASP A 144 5.197 11.543 -9.935 1.00 0.72 C ATOM 2230 O ASP A 144 6.121 12.021 -10.595 1.00 0.79 O ATOM 2231 CB ASP A 144 3.681 12.829 -8.438 1.00 0.73 C ATOM 2232 CG ASP A 144 2.827 14.082 -8.414 1.00 0.85 C ATOM 2233 OD1 ASP A 144 2.848 14.843 -9.406 1.00 1.38 O1- ATOM 2234 OD2 ASP A 144 2.125 14.315 -7.405 1.00 1.39 O ATOM 0 H ASP A 144 2.089 11.199 -9.398 1.00 0.67 H new ATOM 0 HA ASP A 144 3.826 13.055 -10.578 1.00 0.71 H new ATOM 0 HB2 ASP A 144 3.230 12.076 -7.792 1.00 0.73 H new ATOM 0 HB3 ASP A 144 4.663 13.057 -8.024 1.00 0.73 H new ATOM 2239 N VAL A 145 5.297 10.400 -9.275 1.00 0.68 N ATOM 2240 CA VAL A 145 6.530 9.627 -9.261 1.00 0.70 C ATOM 2241 C VAL A 145 6.584 8.633 -10.425 1.00 0.70 C ATOM 2242 O VAL A 145 7.627 8.034 -10.691 1.00 0.75 O ATOM 2243 CB VAL A 145 6.684 8.871 -7.916 1.00 0.68 C ATOM 2244 CG1 VAL A 145 5.664 7.745 -7.803 1.00 1.34 C ATOM 2245 CG2 VAL A 145 8.103 8.343 -7.741 1.00 1.34 C ATOM 0 H VAL A 145 4.535 9.985 -8.739 1.00 0.68 H new ATOM 0 HA VAL A 145 7.356 10.329 -9.374 1.00 0.70 H new ATOM 0 HB VAL A 145 6.492 9.580 -7.111 1.00 0.68 H new ATOM 0 HG11 VAL A 145 5.794 7.231 -6.851 1.00 1.34 H new ATOM 0 HG12 VAL A 145 4.657 8.159 -7.858 1.00 1.34 H new ATOM 0 HG13 VAL A 145 5.810 7.038 -8.620 1.00 1.34 H new ATOM 0 HG21 VAL A 145 8.181 7.818 -6.789 1.00 1.34 H new ATOM 0 HG22 VAL A 145 8.339 7.657 -8.555 1.00 1.34 H new ATOM 0 HG23 VAL A 145 8.805 9.176 -7.754 1.00 1.34 H new ATOM 2255 N GLN A 146 5.463 8.494 -11.138 1.00 0.68 N ATOM 2256 CA GLN A 146 5.360 7.559 -12.261 1.00 0.71 C ATOM 2257 C GLN A 146 5.518 6.132 -11.754 1.00 0.63 C ATOM 2258 O GLN A 146 6.567 5.504 -11.919 1.00 0.69 O ATOM 2259 CB GLN A 146 6.411 7.853 -13.343 1.00 0.86 C ATOM 2260 CG GLN A 146 6.238 9.200 -14.021 1.00 1.03 C ATOM 2261 CD GLN A 146 7.337 9.481 -15.024 1.00 1.30 C ATOM 2262 OE1 GLN A 146 8.480 9.051 -14.849 1.00 1.61 O ATOM 2263 NE2 GLN A 146 7.004 10.200 -16.081 1.00 1.95 N ATOM 0 H GLN A 146 4.609 9.021 -10.955 1.00 0.68 H new ATOM 0 HA GLN A 146 4.376 7.682 -12.714 1.00 0.71 H new ATOM 0 HB2 GLN A 146 7.403 7.809 -12.893 1.00 0.86 H new ATOM 0 HB3 GLN A 146 6.369 7.069 -14.099 1.00 0.86 H new ATOM 0 HG2 GLN A 146 5.272 9.230 -14.525 1.00 1.03 H new ATOM 0 HG3 GLN A 146 6.228 9.986 -13.266 1.00 1.03 H new ATOM 0 HE21 GLN A 146 6.047 10.537 -16.188 1.00 1.95 H new ATOM 0 HE22 GLN A 146 7.704 10.419 -16.790 1.00 1.95 H new ATOM 2272 N LEU A 147 4.475 5.633 -11.113 1.00 0.55 N ATOM 2273 CA LEU A 147 4.499 4.294 -10.556 1.00 0.49 C ATOM 2274 C LEU A 147 4.238 3.231 -11.619 1.00 0.50 C ATOM 2275 O LEU A 147 3.223 3.265 -12.315 1.00 0.62 O ATOM 2276 CB LEU A 147 3.467 4.167 -9.437 1.00 0.51 C ATOM 2277 CG LEU A 147 3.608 2.906 -8.591 1.00 0.46 C ATOM 2278 CD1 LEU A 147 4.868 2.969 -7.744 1.00 0.71 C ATOM 2279 CD2 LEU A 147 2.377 2.706 -7.722 1.00 0.55 C ATOM 0 H LEU A 147 3.600 6.137 -10.966 1.00 0.55 H new ATOM 0 HA LEU A 147 5.498 4.128 -10.153 1.00 0.49 H new ATOM 0 HB2 LEU A 147 3.546 5.038 -8.786 1.00 0.51 H new ATOM 0 HB3 LEU A 147 2.469 4.186 -9.875 1.00 0.51 H new ATOM 0 HG LEU A 147 3.693 2.049 -9.259 1.00 0.46 H new ATOM 0 HD11 LEU A 147 4.951 2.061 -7.147 1.00 0.71 H new ATOM 0 HD12 LEU A 147 5.739 3.058 -8.393 1.00 0.71 H new ATOM 0 HD13 LEU A 147 4.819 3.834 -7.083 1.00 0.71 H new ATOM 0 HD21 LEU A 147 2.496 1.801 -7.126 1.00 0.55 H new ATOM 0 HD22 LEU A 147 2.255 3.564 -7.060 1.00 0.55 H new ATOM 0 HD23 LEU A 147 1.496 2.609 -8.356 1.00 0.55 H new ATOM 2291 N ARG A 148 5.169 2.292 -11.741 1.00 0.53 N ATOM 2292 CA ARG A 148 5.040 1.201 -12.700 1.00 0.64 C ATOM 2293 C ARG A 148 4.658 -0.071 -11.961 1.00 0.61 C ATOM 2294 O ARG A 148 3.714 -0.770 -12.341 1.00 1.08 O ATOM 2295 CB ARG A 148 6.344 0.988 -13.478 1.00 0.84 C ATOM 2296 CG ARG A 148 6.667 2.111 -14.454 1.00 1.02 C ATOM 2297 CD ARG A 148 7.412 3.246 -13.772 1.00 1.75 C ATOM 2298 NE ARG A 148 8.791 2.883 -13.459 1.00 2.46 N ATOM 2299 CZ ARG A 148 9.689 3.723 -12.945 1.00 3.34 C ATOM 2300 NH1 ARG A 148 9.348 4.970 -12.629 1.00 3.78 N1+ ATOM 2301 NH2 ARG A 148 10.931 3.311 -12.738 1.00 4.16 N ATOM 0 H ARG A 148 6.024 2.264 -11.186 1.00 0.53 H new ATOM 0 HA ARG A 148 4.263 1.458 -13.419 1.00 0.64 H new ATOM 0 HB2 ARG A 148 7.166 0.887 -12.770 1.00 0.84 H new ATOM 0 HB3 ARG A 148 6.279 0.049 -14.028 1.00 0.84 H new ATOM 0 HG2 ARG A 148 7.270 1.720 -15.274 1.00 1.02 H new ATOM 0 HG3 ARG A 148 5.744 2.491 -14.891 1.00 1.02 H new ATOM 0 HD2 ARG A 148 7.406 4.124 -14.418 1.00 1.75 H new ATOM 0 HD3 ARG A 148 6.892 3.522 -12.854 1.00 1.75 H new ATOM 0 HE ARG A 148 9.086 1.925 -13.646 1.00 2.46 H new ATOM 0 HH11 ARG A 148 8.392 5.291 -12.780 1.00 3.78 H new ATOM 0 HH12 ARG A 148 10.043 5.605 -12.236 1.00 3.78 H new ATOM 0 HH21 ARG A 148 11.197 2.354 -12.972 1.00 4.16 H new ATOM 0 HH22 ARG A 148 11.622 3.950 -12.345 1.00 4.16 H new ATOM 2315 N GLY A 149 5.382 -0.346 -10.884 1.00 0.49 N ATOM 2316 CA GLY A 149 5.109 -1.517 -10.081 1.00 0.45 C ATOM 2317 C GLY A 149 4.129 -1.195 -8.978 1.00 0.42 C ATOM 2318 O GLY A 149 4.302 -0.203 -8.271 1.00 0.68 O ATOM 0 H GLY A 149 6.158 0.227 -10.552 1.00 0.49 H new ATOM 0 HA2 GLY A 149 4.706 -2.310 -10.711 1.00 0.45 H new ATOM 0 HA3 GLY A 149 6.037 -1.893 -9.651 1.00 0.45 H new ATOM 2322 N VAL A 150 3.110 -2.024 -8.821 1.00 0.31 N ATOM 2323 CA VAL A 150 2.088 -1.792 -7.808 1.00 0.32 C ATOM 2324 C VAL A 150 2.633 -1.930 -6.377 1.00 0.33 C ATOM 2325 O VAL A 150 2.457 -1.022 -5.568 1.00 0.38 O ATOM 2326 CB VAL A 150 0.872 -2.727 -7.991 1.00 0.38 C ATOM 2327 CG1 VAL A 150 -0.319 -2.200 -7.216 1.00 0.45 C ATOM 2328 CG2 VAL A 150 0.518 -2.885 -9.459 1.00 0.49 C ATOM 0 H VAL A 150 2.967 -2.864 -9.381 1.00 0.31 H new ATOM 0 HA VAL A 150 1.764 -0.761 -7.950 1.00 0.32 H new ATOM 0 HB VAL A 150 1.140 -3.709 -7.601 1.00 0.38 H new ATOM 0 HG11 VAL A 150 -1.168 -2.869 -7.355 1.00 0.45 H new ATOM 0 HG12 VAL A 150 -0.069 -2.146 -6.157 1.00 0.45 H new ATOM 0 HG13 VAL A 150 -0.578 -1.205 -7.579 1.00 0.45 H new ATOM 0 HG21 VAL A 150 -0.341 -3.548 -9.557 1.00 0.49 H new ATOM 0 HG22 VAL A 150 0.274 -1.910 -9.881 1.00 0.49 H new ATOM 0 HG23 VAL A 150 1.367 -3.310 -9.994 1.00 0.49 H new ATOM 2338 N PRO A 151 3.307 -3.050 -6.028 1.00 0.35 N ATOM 2339 CA PRO A 151 3.839 -3.250 -4.677 1.00 0.41 C ATOM 2340 C PRO A 151 5.155 -2.502 -4.445 1.00 0.40 C ATOM 2341 O PRO A 151 6.233 -3.100 -4.446 1.00 0.56 O ATOM 2342 CB PRO A 151 4.065 -4.769 -4.596 1.00 0.50 C ATOM 2343 CG PRO A 151 3.636 -5.337 -5.913 1.00 0.53 C ATOM 2344 CD PRO A 151 3.625 -4.197 -6.886 1.00 0.37 C ATOM 0 HA PRO A 151 3.158 -2.866 -3.917 1.00 0.41 H new ATOM 0 HB2 PRO A 151 5.113 -4.995 -4.400 1.00 0.50 H new ATOM 0 HB3 PRO A 151 3.487 -5.204 -3.780 1.00 0.50 H new ATOM 0 HG2 PRO A 151 4.321 -6.119 -6.240 1.00 0.53 H new ATOM 0 HG3 PRO A 151 2.648 -5.791 -5.836 1.00 0.53 H new ATOM 0 HD2 PRO A 151 4.588 -4.078 -7.382 1.00 0.37 H new ATOM 0 HD3 PRO A 151 2.879 -4.338 -7.668 1.00 0.37 H new ATOM 2352 N ALA A 152 5.058 -1.195 -4.241 1.00 0.38 N ATOM 2353 CA ALA A 152 6.232 -0.366 -4.016 1.00 0.38 C ATOM 2354 C ALA A 152 6.031 0.549 -2.813 1.00 0.40 C ATOM 2355 O ALA A 152 4.901 0.926 -2.487 1.00 0.63 O ATOM 2356 CB ALA A 152 6.545 0.458 -5.256 1.00 0.40 C ATOM 0 H ALA A 152 4.174 -0.686 -4.227 1.00 0.38 H new ATOM 0 HA ALA A 152 7.076 -1.024 -3.808 1.00 0.38 H new ATOM 0 HB1 ALA A 152 7.426 1.073 -5.071 1.00 0.40 H new ATOM 0 HB2 ALA A 152 6.737 -0.209 -6.097 1.00 0.40 H new ATOM 0 HB3 ALA A 152 5.696 1.101 -5.489 1.00 0.40 H new ATOM 2362 N MET A 153 7.131 0.908 -2.163 1.00 0.32 N ATOM 2363 CA MET A 153 7.083 1.777 -1.001 1.00 0.31 C ATOM 2364 C MET A 153 8.109 2.896 -1.141 1.00 0.31 C ATOM 2365 O MET A 153 9.240 2.660 -1.568 1.00 0.34 O ATOM 2366 CB MET A 153 7.337 0.978 0.283 1.00 0.34 C ATOM 2367 CG MET A 153 6.948 1.721 1.549 1.00 0.35 C ATOM 2368 SD MET A 153 7.217 0.745 3.042 1.00 0.38 S ATOM 2369 CE MET A 153 6.011 -0.564 2.818 1.00 0.42 C ATOM 0 H MET A 153 8.070 0.607 -2.425 1.00 0.32 H new ATOM 0 HA MET A 153 6.088 2.217 -0.938 1.00 0.31 H new ATOM 0 HB2 MET A 153 6.780 0.043 0.235 1.00 0.34 H new ATOM 0 HB3 MET A 153 8.394 0.717 0.335 1.00 0.34 H new ATOM 0 HG2 MET A 153 7.524 2.644 1.615 1.00 0.35 H new ATOM 0 HG3 MET A 153 5.897 2.005 1.490 1.00 0.35 H new ATOM 0 HE1 MET A 153 5.852 -1.078 3.766 1.00 0.42 H new ATOM 0 HE2 MET A 153 5.069 -0.136 2.475 1.00 0.42 H new ATOM 0 HE3 MET A 153 6.378 -1.274 2.077 1.00 0.42 H new ATOM 2379 N PHE A 154 7.701 4.112 -0.809 1.00 0.33 N ATOM 2380 CA PHE A 154 8.582 5.271 -0.891 1.00 0.36 C ATOM 2381 C PHE A 154 8.783 5.870 0.491 1.00 0.38 C ATOM 2382 O PHE A 154 7.820 6.050 1.243 1.00 0.43 O ATOM 2383 CB PHE A 154 8.001 6.335 -1.831 1.00 0.39 C ATOM 2384 CG PHE A 154 7.787 5.857 -3.239 1.00 0.39 C ATOM 2385 CD1 PHE A 154 6.591 5.265 -3.610 1.00 0.48 C ATOM 2386 CD2 PHE A 154 8.783 5.999 -4.187 1.00 0.45 C ATOM 2387 CE1 PHE A 154 6.394 4.823 -4.903 1.00 0.52 C ATOM 2388 CE2 PHE A 154 8.591 5.558 -5.484 1.00 0.48 C ATOM 2389 CZ PHE A 154 7.396 4.968 -5.841 1.00 0.48 C ATOM 0 H PHE A 154 6.760 4.324 -0.478 1.00 0.33 H new ATOM 0 HA PHE A 154 9.541 4.941 -1.289 1.00 0.36 H new ATOM 0 HB2 PHE A 154 7.049 6.681 -1.427 1.00 0.39 H new ATOM 0 HB3 PHE A 154 8.671 7.195 -1.848 1.00 0.39 H new ATOM 0 HD1 PHE A 154 5.804 5.148 -2.880 1.00 0.48 H new ATOM 0 HD2 PHE A 154 9.721 6.459 -3.912 1.00 0.45 H new ATOM 0 HE1 PHE A 154 5.456 4.364 -5.180 1.00 0.52 H new ATOM 0 HE2 PHE A 154 9.376 5.675 -6.217 1.00 0.48 H new ATOM 0 HZ PHE A 154 7.245 4.620 -6.852 1.00 0.48 H new ATOM 2399 N VAL A 155 10.024 6.180 0.823 1.00 0.40 N ATOM 2400 CA VAL A 155 10.345 6.759 2.116 1.00 0.43 C ATOM 2401 C VAL A 155 10.606 8.253 1.983 1.00 0.46 C ATOM 2402 O VAL A 155 11.516 8.677 1.259 1.00 0.48 O ATOM 2403 CB VAL A 155 11.571 6.080 2.757 1.00 0.47 C ATOM 2404 CG1 VAL A 155 11.888 6.711 4.103 1.00 0.55 C ATOM 2405 CG2 VAL A 155 11.338 4.585 2.907 1.00 0.47 C ATOM 0 H VAL A 155 10.829 6.040 0.212 1.00 0.40 H new ATOM 0 HA VAL A 155 9.484 6.595 2.764 1.00 0.43 H new ATOM 0 HB VAL A 155 12.428 6.228 2.099 1.00 0.47 H new ATOM 0 HG11 VAL A 155 12.757 6.218 4.540 1.00 0.55 H new ATOM 0 HG12 VAL A 155 12.102 7.771 3.966 1.00 0.55 H new ATOM 0 HG13 VAL A 155 11.033 6.597 4.769 1.00 0.55 H new ATOM 0 HG21 VAL A 155 12.215 4.124 3.361 1.00 0.47 H new ATOM 0 HG22 VAL A 155 10.468 4.414 3.542 1.00 0.47 H new ATOM 0 HG23 VAL A 155 11.163 4.144 1.926 1.00 0.47 H new ATOM 2415 N ASN A 156 9.773 9.043 2.659 1.00 0.49 N ATOM 2416 CA ASN A 156 9.870 10.506 2.654 1.00 0.55 C ATOM 2417 C ASN A 156 9.608 11.083 1.266 1.00 0.54 C ATOM 2418 O ASN A 156 9.740 12.287 1.056 1.00 0.58 O ATOM 2419 CB ASN A 156 11.243 10.964 3.157 1.00 0.61 C ATOM 2420 CG ASN A 156 11.275 11.183 4.656 1.00 0.86 C ATOM 2421 OD1 ASN A 156 10.783 12.193 5.157 1.00 1.16 O ATOM 2422 ND2 ASN A 156 11.868 10.246 5.382 1.00 1.01 N ATOM 0 H ASN A 156 9.007 8.686 3.230 1.00 0.49 H new ATOM 0 HA ASN A 156 9.101 10.881 3.329 1.00 0.55 H new ATOM 0 HB2 ASN A 156 11.991 10.219 2.887 1.00 0.61 H new ATOM 0 HB3 ASN A 156 11.519 11.890 2.653 1.00 0.61 H new ATOM 0 HD21 ASN A 156 11.929 10.348 6.395 1.00 1.01 H new ATOM 0 HD22 ASN A 156 12.264 9.423 4.928 1.00 1.01 H new ATOM 2429 N GLY A 157 9.234 10.222 0.330 1.00 0.51 N ATOM 2430 CA GLY A 157 8.973 10.660 -1.027 1.00 0.52 C ATOM 2431 C GLY A 157 10.246 11.046 -1.759 1.00 0.53 C ATOM 2432 O GLY A 157 10.202 11.697 -2.802 1.00 0.56 O ATOM 0 H GLY A 157 9.106 9.222 0.487 1.00 0.51 H new ATOM 0 HA2 GLY A 157 8.469 9.863 -1.574 1.00 0.52 H new ATOM 0 HA3 GLY A 157 8.294 11.512 -1.008 1.00 0.52 H new ATOM 2436 N LYS A 158 11.383 10.641 -1.208 1.00 0.52 N ATOM 2437 CA LYS A 158 12.680 10.954 -1.798 1.00 0.55 C ATOM 2438 C LYS A 158 13.445 9.683 -2.157 1.00 0.53 C ATOM 2439 O LYS A 158 14.214 9.661 -3.115 1.00 0.58 O ATOM 2440 CB LYS A 158 13.511 11.794 -0.825 1.00 0.61 C ATOM 2441 CG LYS A 158 12.865 13.120 -0.448 1.00 0.75 C ATOM 2442 CD LYS A 158 13.401 13.649 0.874 1.00 0.96 C ATOM 2443 CE LYS A 158 14.878 14.002 0.788 1.00 1.30 C ATOM 2444 NZ LYS A 158 15.125 15.150 -0.119 1.00 1.75 N1+ ATOM 0 H LYS A 158 11.434 10.093 -0.350 1.00 0.52 H new ATOM 0 HA LYS A 158 12.504 11.520 -2.712 1.00 0.55 H new ATOM 0 HB2 LYS A 158 13.685 11.215 0.082 1.00 0.61 H new ATOM 0 HB3 LYS A 158 14.486 11.990 -1.271 1.00 0.61 H new ATOM 0 HG2 LYS A 158 13.049 13.852 -1.235 1.00 0.75 H new ATOM 0 HG3 LYS A 158 11.785 12.992 -0.378 1.00 0.75 H new ATOM 0 HD2 LYS A 158 12.834 14.532 1.168 1.00 0.96 H new ATOM 0 HD3 LYS A 158 13.252 12.900 1.652 1.00 0.96 H new ATOM 0 HE2 LYS A 158 15.252 14.240 1.784 1.00 1.30 H new ATOM 0 HE3 LYS A 158 15.438 13.135 0.436 1.00 1.30 H new ATOM 0 HZ1 LYS A 158 16.106 15.476 -0.008 1.00 1.75 H new ATOM 0 HZ2 LYS A 158 14.968 14.854 -1.104 1.00 1.75 H new ATOM 0 HZ3 LYS A 158 14.474 15.926 0.118 1.00 1.75 H new ATOM 2458 N TYR A 159 13.226 8.622 -1.388 1.00 0.50 N ATOM 2459 CA TYR A 159 13.910 7.359 -1.627 1.00 0.49 C ATOM 2460 C TYR A 159 12.909 6.263 -1.947 1.00 0.44 C ATOM 2461 O TYR A 159 11.842 6.186 -1.338 1.00 0.45 O ATOM 2462 CB TYR A 159 14.745 6.968 -0.406 1.00 0.53 C ATOM 2463 CG TYR A 159 15.531 8.125 0.169 1.00 0.63 C ATOM 2464 CD1 TYR A 159 16.680 8.588 -0.464 1.00 0.75 C ATOM 2465 CD2 TYR A 159 15.121 8.762 1.333 1.00 0.73 C ATOM 2466 CE1 TYR A 159 17.395 9.651 0.045 1.00 0.92 C ATOM 2467 CE2 TYR A 159 15.834 9.826 1.850 1.00 0.89 C ATOM 2468 CZ TYR A 159 16.969 10.266 1.202 1.00 0.96 C ATOM 2469 OH TYR A 159 17.676 11.330 1.714 1.00 1.16 O ATOM 0 H TYR A 159 12.582 8.612 -0.597 1.00 0.50 H new ATOM 0 HA TYR A 159 14.574 7.484 -2.482 1.00 0.49 H new ATOM 0 HB2 TYR A 159 14.086 6.566 0.364 1.00 0.53 H new ATOM 0 HB3 TYR A 159 15.434 6.171 -0.684 1.00 0.53 H new ATOM 0 HD1 TYR A 159 17.018 8.106 -1.370 1.00 0.75 H new ATOM 0 HD2 TYR A 159 14.232 8.420 1.841 1.00 0.73 H new ATOM 0 HE1 TYR A 159 18.284 10.000 -0.460 1.00 0.92 H new ATOM 0 HE2 TYR A 159 15.504 10.311 2.757 1.00 0.89 H new ATOM 0 HH TYR A 159 17.241 11.649 2.532 1.00 1.16 H new ATOM 2479 N GLN A 160 13.255 5.428 -2.913 1.00 0.43 N ATOM 2480 CA GLN A 160 12.399 4.331 -3.327 1.00 0.40 C ATOM 2481 C GLN A 160 13.086 2.997 -3.067 1.00 0.40 C ATOM 2482 O GLN A 160 14.284 2.855 -3.303 1.00 0.46 O ATOM 2483 CB GLN A 160 12.076 4.461 -4.817 1.00 0.44 C ATOM 2484 CG GLN A 160 11.276 3.299 -5.383 1.00 0.48 C ATOM 2485 CD GLN A 160 11.283 3.278 -6.897 1.00 0.72 C ATOM 2486 OE1 GLN A 160 12.237 3.718 -7.532 1.00 0.98 O ATOM 2487 NE2 GLN A 160 10.216 2.762 -7.487 1.00 0.91 N ATOM 0 H GLN A 160 14.132 5.492 -3.429 1.00 0.43 H new ATOM 0 HA GLN A 160 11.475 4.370 -2.750 1.00 0.40 H new ATOM 0 HB2 GLN A 160 11.519 5.384 -4.978 1.00 0.44 H new ATOM 0 HB3 GLN A 160 13.009 4.551 -5.373 1.00 0.44 H new ATOM 0 HG2 GLN A 160 11.686 2.362 -5.007 1.00 0.48 H new ATOM 0 HG3 GLN A 160 10.247 3.362 -5.028 1.00 0.48 H new ATOM 0 HE21 GLN A 160 9.444 2.407 -6.924 1.00 0.91 H new ATOM 0 HE22 GLN A 160 10.166 2.720 -8.505 1.00 0.91 H new ATOM 2496 N LEU A 161 12.329 2.029 -2.578 1.00 0.39 N ATOM 2497 CA LEU A 161 12.867 0.707 -2.311 1.00 0.40 C ATOM 2498 C LEU A 161 12.864 -0.117 -3.592 1.00 0.37 C ATOM 2499 O LEU A 161 11.897 -0.082 -4.356 1.00 0.37 O ATOM 2500 CB LEU A 161 12.063 0.001 -1.217 1.00 0.45 C ATOM 2501 CG LEU A 161 12.376 0.455 0.212 1.00 0.51 C ATOM 2502 CD1 LEU A 161 11.574 1.693 0.576 1.00 1.13 C ATOM 2503 CD2 LEU A 161 12.102 -0.667 1.194 1.00 1.20 C ATOM 0 H LEU A 161 11.339 2.135 -2.358 1.00 0.39 H new ATOM 0 HA LEU A 161 13.893 0.812 -1.957 1.00 0.40 H new ATOM 0 HB2 LEU A 161 11.002 0.159 -1.408 1.00 0.45 H new ATOM 0 HB3 LEU A 161 12.244 -1.071 -1.289 1.00 0.45 H new ATOM 0 HG LEU A 161 13.434 0.712 0.265 1.00 0.51 H new ATOM 0 HD11 LEU A 161 11.814 1.995 1.595 1.00 1.13 H new ATOM 0 HD12 LEU A 161 11.822 2.502 -0.111 1.00 1.13 H new ATOM 0 HD13 LEU A 161 10.509 1.471 0.505 1.00 1.13 H new ATOM 0 HD21 LEU A 161 12.329 -0.329 2.205 1.00 1.20 H new ATOM 0 HD22 LEU A 161 11.052 -0.954 1.135 1.00 1.20 H new ATOM 0 HD23 LEU A 161 12.727 -1.526 0.949 1.00 1.20 H new ATOM 2515 N ASN A 162 13.946 -0.845 -3.827 1.00 0.40 N ATOM 2516 CA ASN A 162 14.074 -1.661 -5.026 1.00 0.41 C ATOM 2517 C ASN A 162 14.161 -3.146 -4.680 1.00 0.41 C ATOM 2518 O ASN A 162 15.226 -3.649 -4.324 1.00 0.45 O ATOM 2519 CB ASN A 162 15.313 -1.243 -5.825 1.00 0.50 C ATOM 2520 CG ASN A 162 15.469 -2.026 -7.118 1.00 0.56 C ATOM 2521 OD1 ASN A 162 14.489 -2.335 -7.793 1.00 0.62 O ATOM 2522 ND2 ASN A 162 16.705 -2.366 -7.465 1.00 0.72 N ATOM 0 H ASN A 162 14.750 -0.887 -3.201 1.00 0.40 H new ATOM 0 HA ASN A 162 13.182 -1.501 -5.632 1.00 0.41 H new ATOM 0 HB2 ASN A 162 15.250 -0.179 -6.055 1.00 0.50 H new ATOM 0 HB3 ASN A 162 16.202 -1.385 -5.210 1.00 0.50 H new ATOM 0 HD21 ASN A 162 16.866 -2.902 -8.318 1.00 0.72 H new ATOM 0 HD22 ASN A 162 17.493 -2.091 -6.879 1.00 0.72 H new ATOM 2529 N PRO A 163 13.038 -3.871 -4.784 1.00 0.41 N ATOM 2530 CA PRO A 163 13.001 -5.308 -4.492 1.00 0.43 C ATOM 2531 C PRO A 163 13.743 -6.119 -5.554 1.00 0.45 C ATOM 2532 O PRO A 163 14.065 -7.286 -5.345 1.00 0.52 O ATOM 2533 CB PRO A 163 11.504 -5.635 -4.501 1.00 0.46 C ATOM 2534 CG PRO A 163 10.879 -4.589 -5.349 1.00 0.54 C ATOM 2535 CD PRO A 163 11.713 -3.351 -5.185 1.00 0.43 C ATOM 0 HA PRO A 163 13.489 -5.555 -3.549 1.00 0.43 H new ATOM 0 HB2 PRO A 163 11.321 -6.630 -4.906 1.00 0.46 H new ATOM 0 HB3 PRO A 163 11.092 -5.621 -3.492 1.00 0.46 H new ATOM 0 HG2 PRO A 163 10.851 -4.902 -6.393 1.00 0.54 H new ATOM 0 HG3 PRO A 163 9.849 -4.406 -5.043 1.00 0.54 H new ATOM 0 HD2 PRO A 163 11.770 -2.781 -6.112 1.00 0.43 H new ATOM 0 HD3 PRO A 163 11.298 -2.686 -4.428 1.00 0.43 H new ATOM 2543 N GLN A 164 14.037 -5.476 -6.687 1.00 0.48 N ATOM 2544 CA GLN A 164 14.742 -6.123 -7.797 1.00 0.53 C ATOM 2545 C GLN A 164 16.229 -6.270 -7.488 1.00 0.54 C ATOM 2546 O GLN A 164 16.979 -6.881 -8.254 1.00 0.68 O ATOM 2547 CB GLN A 164 14.560 -5.314 -9.085 1.00 0.62 C ATOM 2548 CG GLN A 164 13.108 -5.011 -9.419 1.00 0.86 C ATOM 2549 CD GLN A 164 12.318 -6.246 -9.808 1.00 1.41 C ATOM 2550 OE1 GLN A 164 12.266 -6.621 -10.974 1.00 2.22 O ATOM 2551 NE2 GLN A 164 11.691 -6.885 -8.833 1.00 1.82 N ATOM 0 H GLN A 164 13.796 -4.500 -6.860 1.00 0.48 H new ATOM 0 HA GLN A 164 14.316 -7.117 -7.933 1.00 0.53 H new ATOM 0 HB2 GLN A 164 15.106 -4.375 -8.993 1.00 0.62 H new ATOM 0 HB3 GLN A 164 15.007 -5.863 -9.914 1.00 0.62 H new ATOM 0 HG2 GLN A 164 12.634 -4.540 -8.558 1.00 0.86 H new ATOM 0 HG3 GLN A 164 13.072 -4.291 -10.237 1.00 0.86 H new ATOM 0 HE21 GLN A 164 11.757 -6.543 -7.874 1.00 1.82 H new ATOM 0 HE22 GLN A 164 11.142 -7.719 -9.040 1.00 1.82 H new ATOM 2560 N GLY A 165 16.656 -5.685 -6.374 1.00 0.51 N ATOM 2561 CA GLY A 165 18.044 -5.767 -5.967 1.00 0.54 C ATOM 2562 C GLY A 165 18.182 -6.227 -4.531 1.00 0.50 C ATOM 2563 O GLY A 165 19.219 -6.030 -3.897 1.00 0.59 O ATOM 0 H GLY A 165 16.059 -5.152 -5.742 1.00 0.51 H new ATOM 0 HA2 GLY A 165 18.575 -6.457 -6.623 1.00 0.54 H new ATOM 0 HA3 GLY A 165 18.515 -4.791 -6.083 1.00 0.54 H new ATOM 2567 N MET A 166 17.127 -6.843 -4.019 1.00 0.45 N ATOM 2568 CA MET A 166 17.117 -7.329 -2.647 1.00 0.45 C ATOM 2569 C MET A 166 17.417 -8.822 -2.608 1.00 0.48 C ATOM 2570 O MET A 166 17.846 -9.397 -3.612 1.00 0.57 O ATOM 2571 CB MET A 166 15.767 -7.038 -1.992 1.00 0.43 C ATOM 2572 CG MET A 166 15.609 -5.597 -1.542 1.00 0.43 C ATOM 2573 SD MET A 166 13.969 -5.260 -0.874 1.00 0.48 S ATOM 2574 CE MET A 166 14.200 -3.590 -0.276 1.00 0.49 C ATOM 0 H MET A 166 16.264 -7.019 -4.534 1.00 0.45 H new ATOM 0 HA MET A 166 17.894 -6.808 -2.088 1.00 0.45 H new ATOM 0 HB2 MET A 166 14.971 -7.279 -2.696 1.00 0.43 H new ATOM 0 HB3 MET A 166 15.641 -7.695 -1.131 1.00 0.43 H new ATOM 0 HG2 MET A 166 16.360 -5.372 -0.785 1.00 0.43 H new ATOM 0 HG3 MET A 166 15.798 -4.933 -2.386 1.00 0.43 H new ATOM 0 HE1 MET A 166 13.290 -3.014 -0.445 1.00 0.49 H new ATOM 0 HE2 MET A 166 14.422 -3.613 0.791 1.00 0.49 H new ATOM 0 HE3 MET A 166 15.029 -3.124 -0.809 1.00 0.49 H new ATOM 2584 N ASP A 167 17.217 -9.443 -1.457 1.00 0.55 N ATOM 2585 CA ASP A 167 17.470 -10.873 -1.318 1.00 0.62 C ATOM 2586 C ASP A 167 16.413 -11.675 -2.056 1.00 0.62 C ATOM 2587 O ASP A 167 15.235 -11.638 -1.713 1.00 0.79 O ATOM 2588 CB ASP A 167 17.489 -11.296 0.150 1.00 0.80 C ATOM 2589 CG ASP A 167 18.151 -12.650 0.352 1.00 0.94 C ATOM 2590 OD1 ASP A 167 17.631 -13.670 -0.164 1.00 1.54 O1- ATOM 2591 OD2 ASP A 167 19.204 -12.701 1.024 1.00 1.38 O ATOM 0 H ASP A 167 16.882 -8.986 -0.609 1.00 0.55 H new ATOM 0 HA ASP A 167 18.450 -11.073 -1.752 1.00 0.62 H new ATOM 0 HB2 ASP A 167 18.018 -10.544 0.736 1.00 0.80 H new ATOM 0 HB3 ASP A 167 16.467 -11.333 0.528 1.00 0.80 H new ATOM 2596 N THR A 168 16.837 -12.378 -3.084 1.00 0.67 N ATOM 2597 CA THR A 168 15.935 -13.203 -3.861 1.00 0.79 C ATOM 2598 C THR A 168 16.303 -14.667 -3.680 1.00 0.86 C ATOM 2599 O THR A 168 16.167 -15.485 -4.588 1.00 1.04 O ATOM 2600 CB THR A 168 15.987 -12.820 -5.349 1.00 0.92 C ATOM 2601 OG1 THR A 168 16.454 -11.469 -5.479 1.00 1.03 O ATOM 2602 CG2 THR A 168 14.616 -12.945 -5.990 1.00 1.16 C ATOM 0 H THR A 168 17.806 -12.395 -3.403 1.00 0.67 H new ATOM 0 HA THR A 168 14.917 -13.040 -3.507 1.00 0.79 H new ATOM 0 HB THR A 168 16.670 -13.501 -5.857 1.00 0.92 H new ATOM 0 HG1 THR A 168 16.489 -11.225 -6.427 1.00 1.03 H new ATOM 0 HG21 THR A 168 14.680 -12.668 -7.042 1.00 1.16 H new ATOM 0 HG22 THR A 168 14.267 -13.974 -5.906 1.00 1.16 H new ATOM 0 HG23 THR A 168 13.915 -12.282 -5.483 1.00 1.16 H new ATOM 2610 N SER A 169 16.778 -14.984 -2.484 1.00 0.82 N ATOM 2611 CA SER A 169 17.183 -16.338 -2.159 1.00 0.89 C ATOM 2612 C SER A 169 16.397 -16.873 -0.962 1.00 0.80 C ATOM 2613 O SER A 169 15.871 -17.984 -1.003 1.00 0.93 O ATOM 2614 CB SER A 169 18.687 -16.373 -1.873 1.00 1.01 C ATOM 2615 OG SER A 169 19.220 -15.057 -1.787 1.00 1.53 O ATOM 0 H SER A 169 16.892 -14.316 -1.721 1.00 0.82 H new ATOM 0 HA SER A 169 16.967 -16.980 -3.013 1.00 0.89 H new ATOM 0 HB2 SER A 169 18.871 -16.906 -0.940 1.00 1.01 H new ATOM 0 HB3 SER A 169 19.198 -16.925 -2.661 1.00 1.01 H new ATOM 0 HG SER A 169 18.757 -14.562 -1.079 1.00 1.53 H new ATOM 2621 N ASN A 170 16.311 -16.075 0.096 1.00 0.68 N ATOM 2622 CA ASN A 170 15.590 -16.475 1.299 1.00 0.69 C ATOM 2623 C ASN A 170 14.372 -15.583 1.508 1.00 0.63 C ATOM 2624 O ASN A 170 14.501 -14.369 1.681 1.00 0.60 O ATOM 2625 CB ASN A 170 16.513 -16.404 2.521 1.00 0.80 C ATOM 2626 CG ASN A 170 15.900 -17.032 3.765 1.00 0.91 C ATOM 2627 OD1 ASN A 170 14.685 -17.205 3.866 1.00 1.21 O ATOM 2628 ND2 ASN A 170 16.739 -17.352 4.739 1.00 1.14 N ATOM 0 H ASN A 170 16.732 -15.147 0.145 1.00 0.68 H new ATOM 0 HA ASN A 170 15.252 -17.504 1.175 1.00 0.69 H new ATOM 0 HB2 ASN A 170 17.451 -16.908 2.291 1.00 0.80 H new ATOM 0 HB3 ASN A 170 16.754 -15.361 2.728 1.00 0.80 H new ATOM 0 HD21 ASN A 170 16.384 -17.755 5.606 1.00 1.14 H new ATOM 0 HD22 ASN A 170 17.740 -17.195 4.622 1.00 1.14 H new ATOM 2635 N MET A 171 13.193 -16.196 1.497 1.00 0.67 N ATOM 2636 CA MET A 171 11.938 -15.475 1.685 1.00 0.66 C ATOM 2637 C MET A 171 11.914 -14.768 3.035 1.00 0.59 C ATOM 2638 O MET A 171 11.494 -13.617 3.143 1.00 0.55 O ATOM 2639 CB MET A 171 10.757 -16.445 1.611 1.00 0.78 C ATOM 2640 CG MET A 171 10.463 -16.975 0.217 1.00 0.95 C ATOM 2641 SD MET A 171 9.678 -15.749 -0.846 1.00 1.54 S ATOM 2642 CE MET A 171 9.016 -16.805 -2.130 1.00 1.96 C ATOM 0 H MET A 171 13.080 -17.200 1.358 1.00 0.67 H new ATOM 0 HA MET A 171 11.857 -14.732 0.892 1.00 0.66 H new ATOM 0 HB2 MET A 171 10.954 -17.289 2.273 1.00 0.78 H new ATOM 0 HB3 MET A 171 9.867 -15.943 1.990 1.00 0.78 H new ATOM 0 HG2 MET A 171 11.393 -17.307 -0.244 1.00 0.95 H new ATOM 0 HG3 MET A 171 9.816 -17.849 0.295 1.00 0.95 H new ATOM 0 HE1 MET A 171 8.497 -16.196 -2.870 1.00 1.96 H new ATOM 0 HE2 MET A 171 9.830 -17.346 -2.612 1.00 1.96 H new ATOM 0 HE3 MET A 171 8.317 -17.517 -1.691 1.00 1.96 H new ATOM 2652 N ASP A 172 12.398 -15.461 4.059 1.00 0.63 N ATOM 2653 CA ASP A 172 12.417 -14.924 5.414 1.00 0.62 C ATOM 2654 C ASP A 172 13.323 -13.701 5.522 1.00 0.54 C ATOM 2655 O ASP A 172 13.050 -12.782 6.294 1.00 0.57 O ATOM 2656 CB ASP A 172 12.866 -15.997 6.408 1.00 0.70 C ATOM 2657 CG ASP A 172 12.346 -15.734 7.809 1.00 1.26 C ATOM 2658 OD1 ASP A 172 11.115 -15.830 8.020 1.00 2.05 O1- ATOM 2659 OD2 ASP A 172 13.160 -15.444 8.710 1.00 1.82 O ATOM 0 H ASP A 172 12.785 -16.401 3.975 1.00 0.63 H new ATOM 0 HA ASP A 172 11.401 -14.612 5.657 1.00 0.62 H new ATOM 0 HB2 ASP A 172 12.516 -16.972 6.070 1.00 0.70 H new ATOM 0 HB3 ASP A 172 13.955 -16.038 6.428 1.00 0.70 H new ATOM 2664 N VAL A 173 14.396 -13.684 4.746 1.00 0.51 N ATOM 2665 CA VAL A 173 15.325 -12.564 4.766 1.00 0.49 C ATOM 2666 C VAL A 173 14.774 -11.398 3.948 1.00 0.42 C ATOM 2667 O VAL A 173 14.896 -10.244 4.350 1.00 0.43 O ATOM 2668 CB VAL A 173 16.721 -12.968 4.240 1.00 0.55 C ATOM 2669 CG1 VAL A 173 17.643 -11.759 4.132 1.00 0.58 C ATOM 2670 CG2 VAL A 173 17.340 -14.032 5.136 1.00 0.65 C ATOM 0 H VAL A 173 14.645 -14.430 4.097 1.00 0.51 H new ATOM 0 HA VAL A 173 15.437 -12.252 5.804 1.00 0.49 H new ATOM 0 HB VAL A 173 16.595 -13.383 3.240 1.00 0.55 H new ATOM 0 HG11 VAL A 173 18.617 -12.076 3.759 1.00 0.58 H new ATOM 0 HG12 VAL A 173 17.211 -11.032 3.445 1.00 0.58 H new ATOM 0 HG13 VAL A 173 17.762 -11.303 5.115 1.00 0.58 H new ATOM 0 HG21 VAL A 173 18.323 -14.305 4.751 1.00 0.65 H new ATOM 0 HG22 VAL A 173 17.443 -13.641 6.148 1.00 0.65 H new ATOM 0 HG23 VAL A 173 16.699 -14.913 5.151 1.00 0.65 H new ATOM 2680 N PHE A 174 14.152 -11.708 2.812 1.00 0.42 N ATOM 2681 CA PHE A 174 13.580 -10.684 1.940 1.00 0.38 C ATOM 2682 C PHE A 174 12.584 -9.803 2.701 1.00 0.35 C ATOM 2683 O PHE A 174 12.676 -8.574 2.662 1.00 0.35 O ATOM 2684 CB PHE A 174 12.894 -11.334 0.731 1.00 0.41 C ATOM 2685 CG PHE A 174 12.192 -10.354 -0.165 1.00 0.39 C ATOM 2686 CD1 PHE A 174 12.917 -9.478 -0.956 1.00 0.42 C ATOM 2687 CD2 PHE A 174 10.807 -10.306 -0.211 1.00 0.44 C ATOM 2688 CE1 PHE A 174 12.274 -8.572 -1.780 1.00 0.45 C ATOM 2689 CE2 PHE A 174 10.157 -9.402 -1.032 1.00 0.47 C ATOM 2690 CZ PHE A 174 10.892 -8.533 -1.818 1.00 0.45 C ATOM 0 H PHE A 174 14.031 -12.663 2.473 1.00 0.42 H new ATOM 0 HA PHE A 174 14.394 -10.051 1.588 1.00 0.38 H new ATOM 0 HB2 PHE A 174 13.640 -11.875 0.149 1.00 0.41 H new ATOM 0 HB3 PHE A 174 12.172 -12.069 1.086 1.00 0.41 H new ATOM 0 HD1 PHE A 174 13.996 -9.503 -0.929 1.00 0.42 H new ATOM 0 HD2 PHE A 174 10.229 -10.982 0.401 1.00 0.44 H new ATOM 0 HE1 PHE A 174 12.851 -7.896 -2.393 1.00 0.45 H new ATOM 0 HE2 PHE A 174 9.078 -9.375 -1.059 1.00 0.47 H new ATOM 0 HZ PHE A 174 10.388 -7.826 -2.460 1.00 0.45 H new ATOM 2700 N VAL A 175 11.653 -10.441 3.402 1.00 0.37 N ATOM 2701 CA VAL A 175 10.638 -9.724 4.171 1.00 0.37 C ATOM 2702 C VAL A 175 11.275 -8.805 5.211 1.00 0.35 C ATOM 2703 O VAL A 175 10.933 -7.623 5.309 1.00 0.36 O ATOM 2704 CB VAL A 175 9.676 -10.699 4.887 1.00 0.41 C ATOM 2705 CG1 VAL A 175 8.579 -9.941 5.615 1.00 0.48 C ATOM 2706 CG2 VAL A 175 9.075 -11.677 3.896 1.00 0.45 C ATOM 0 H VAL A 175 11.579 -11.457 3.455 1.00 0.37 H new ATOM 0 HA VAL A 175 10.073 -9.124 3.457 1.00 0.37 H new ATOM 0 HB VAL A 175 10.250 -11.260 5.625 1.00 0.41 H new ATOM 0 HG11 VAL A 175 7.915 -10.649 6.111 1.00 0.48 H new ATOM 0 HG12 VAL A 175 9.025 -9.280 6.358 1.00 0.48 H new ATOM 0 HG13 VAL A 175 8.009 -9.349 4.899 1.00 0.48 H new ATOM 0 HG21 VAL A 175 8.400 -12.356 4.418 1.00 0.45 H new ATOM 0 HG22 VAL A 175 8.520 -11.129 3.134 1.00 0.45 H new ATOM 0 HG23 VAL A 175 9.872 -12.251 3.422 1.00 0.45 H new ATOM 2716 N GLN A 176 12.222 -9.350 5.963 1.00 0.37 N ATOM 2717 CA GLN A 176 12.898 -8.593 7.007 1.00 0.39 C ATOM 2718 C GLN A 176 13.745 -7.468 6.420 1.00 0.38 C ATOM 2719 O GLN A 176 13.784 -6.369 6.970 1.00 0.40 O ATOM 2720 CB GLN A 176 13.766 -9.519 7.859 1.00 0.44 C ATOM 2721 CG GLN A 176 12.952 -10.536 8.635 1.00 0.64 C ATOM 2722 CD GLN A 176 11.925 -9.891 9.545 1.00 0.81 C ATOM 2723 OE1 GLN A 176 12.147 -8.811 10.094 1.00 1.70 O ATOM 2724 NE2 GLN A 176 10.790 -10.552 9.704 1.00 1.11 N ATOM 0 H GLN A 176 12.539 -10.315 5.869 1.00 0.37 H new ATOM 0 HA GLN A 176 12.133 -8.142 7.639 1.00 0.39 H new ATOM 0 HB2 GLN A 176 14.473 -10.041 7.215 1.00 0.44 H new ATOM 0 HB3 GLN A 176 14.352 -8.921 8.557 1.00 0.44 H new ATOM 0 HG2 GLN A 176 12.445 -11.200 7.935 1.00 0.64 H new ATOM 0 HG3 GLN A 176 13.623 -11.154 9.232 1.00 0.64 H new ATOM 0 HE21 GLN A 176 10.649 -11.444 9.230 1.00 1.11 H new ATOM 0 HE22 GLN A 176 10.056 -10.170 10.301 1.00 1.11 H new ATOM 2733 N GLN A 177 14.409 -7.747 5.304 1.00 0.37 N ATOM 2734 CA GLN A 177 15.254 -6.758 4.640 1.00 0.39 C ATOM 2735 C GLN A 177 14.417 -5.593 4.130 1.00 0.37 C ATOM 2736 O GLN A 177 14.791 -4.431 4.301 1.00 0.39 O ATOM 2737 CB GLN A 177 16.017 -7.391 3.476 1.00 0.42 C ATOM 2738 CG GLN A 177 17.017 -6.450 2.819 1.00 0.56 C ATOM 2739 CD GLN A 177 17.799 -7.120 1.707 1.00 0.58 C ATOM 2740 OE1 GLN A 177 17.280 -7.984 1.001 1.00 1.02 O ATOM 2741 NE2 GLN A 177 19.056 -6.733 1.544 1.00 1.32 N ATOM 0 H GLN A 177 14.379 -8.654 4.837 1.00 0.37 H new ATOM 0 HA GLN A 177 15.971 -6.386 5.372 1.00 0.39 H new ATOM 0 HB2 GLN A 177 16.544 -8.274 3.836 1.00 0.42 H new ATOM 0 HB3 GLN A 177 15.303 -7.730 2.726 1.00 0.42 H new ATOM 0 HG2 GLN A 177 16.488 -5.586 2.417 1.00 0.56 H new ATOM 0 HG3 GLN A 177 17.710 -6.077 3.573 1.00 0.56 H new ATOM 0 HE21 GLN A 177 19.451 -6.013 2.150 1.00 1.32 H new ATOM 0 HE22 GLN A 177 19.629 -7.155 0.813 1.00 1.32 H new ATOM 2750 N TYR A 178 13.288 -5.918 3.509 1.00 0.36 N ATOM 2751 CA TYR A 178 12.380 -4.909 2.980 1.00 0.36 C ATOM 2752 C TYR A 178 11.986 -3.926 4.080 1.00 0.36 C ATOM 2753 O TYR A 178 12.112 -2.713 3.919 1.00 0.39 O ATOM 2754 CB TYR A 178 11.126 -5.580 2.405 1.00 0.37 C ATOM 2755 CG TYR A 178 10.449 -4.789 1.301 1.00 0.36 C ATOM 2756 CD1 TYR A 178 9.803 -3.587 1.568 1.00 0.40 C ATOM 2757 CD2 TYR A 178 10.450 -5.253 -0.011 1.00 0.44 C ATOM 2758 CE1 TYR A 178 9.184 -2.869 0.561 1.00 0.42 C ATOM 2759 CE2 TYR A 178 9.832 -4.542 -1.022 1.00 0.46 C ATOM 2760 CZ TYR A 178 9.201 -3.351 -0.732 1.00 0.40 C ATOM 2761 OH TYR A 178 8.586 -2.636 -1.739 1.00 0.45 O ATOM 0 H TYR A 178 12.979 -6.879 3.360 1.00 0.36 H new ATOM 0 HA TYR A 178 12.888 -4.363 2.185 1.00 0.36 H new ATOM 0 HB2 TYR A 178 11.398 -6.562 2.019 1.00 0.37 H new ATOM 0 HB3 TYR A 178 10.411 -5.741 3.212 1.00 0.37 H new ATOM 0 HD1 TYR A 178 9.784 -3.208 2.579 1.00 0.40 H new ATOM 0 HD2 TYR A 178 10.943 -6.186 -0.243 1.00 0.44 H new ATOM 0 HE1 TYR A 178 8.690 -1.935 0.785 1.00 0.42 H new ATOM 0 HE2 TYR A 178 9.843 -4.918 -2.035 1.00 0.46 H new ATOM 0 HH TYR A 178 8.690 -3.112 -2.589 1.00 0.45 H new ATOM 2771 N ALA A 179 11.540 -4.468 5.208 1.00 0.35 N ATOM 2772 CA ALA A 179 11.119 -3.652 6.342 1.00 0.37 C ATOM 2773 C ALA A 179 12.287 -2.897 6.969 1.00 0.39 C ATOM 2774 O ALA A 179 12.145 -1.743 7.377 1.00 0.43 O ATOM 2775 CB ALA A 179 10.431 -4.521 7.385 1.00 0.39 C ATOM 0 H ALA A 179 11.460 -5.473 5.362 1.00 0.35 H new ATOM 0 HA ALA A 179 10.415 -2.909 5.969 1.00 0.37 H new ATOM 0 HB1 ALA A 179 10.121 -3.902 8.227 1.00 0.39 H new ATOM 0 HB2 ALA A 179 9.556 -4.997 6.942 1.00 0.39 H new ATOM 0 HB3 ALA A 179 11.123 -5.288 7.734 1.00 0.39 H new ATOM 2781 N ASP A 180 13.442 -3.548 7.036 1.00 0.39 N ATOM 2782 CA ASP A 180 14.635 -2.942 7.623 1.00 0.44 C ATOM 2783 C ASP A 180 15.105 -1.751 6.803 1.00 0.44 C ATOM 2784 O ASP A 180 15.513 -0.728 7.357 1.00 0.49 O ATOM 2785 CB ASP A 180 15.756 -3.976 7.732 1.00 0.48 C ATOM 2786 CG ASP A 180 16.847 -3.558 8.699 1.00 0.80 C ATOM 2787 OD1 ASP A 180 16.641 -3.681 9.928 1.00 1.40 O1- ATOM 2788 OD2 ASP A 180 17.927 -3.128 8.236 1.00 1.55 O ATOM 0 H ASP A 180 13.580 -4.498 6.691 1.00 0.39 H new ATOM 0 HA ASP A 180 14.376 -2.589 8.621 1.00 0.44 H new ATOM 0 HB2 ASP A 180 15.336 -4.929 8.055 1.00 0.48 H new ATOM 0 HB3 ASP A 180 16.192 -4.138 6.746 1.00 0.48 H new ATOM 2793 N THR A 181 15.025 -1.879 5.483 1.00 0.42 N ATOM 2794 CA THR A 181 15.439 -0.807 4.588 1.00 0.43 C ATOM 2795 C THR A 181 14.570 0.434 4.815 1.00 0.42 C ATOM 2796 O THR A 181 15.061 1.565 4.774 1.00 0.45 O ATOM 2797 CB THR A 181 15.357 -1.236 3.103 1.00 0.44 C ATOM 2798 OG1 THR A 181 15.974 -2.519 2.921 1.00 0.47 O ATOM 2799 CG2 THR A 181 16.046 -0.216 2.205 1.00 0.48 C ATOM 0 H THR A 181 14.678 -2.714 5.011 1.00 0.42 H new ATOM 0 HA THR A 181 16.479 -0.573 4.814 1.00 0.43 H new ATOM 0 HB THR A 181 14.304 -1.295 2.829 1.00 0.44 H new ATOM 0 HG1 THR A 181 15.361 -3.222 3.221 1.00 0.47 H new ATOM 0 HG21 THR A 181 15.975 -0.539 1.166 1.00 0.48 H new ATOM 0 HG22 THR A 181 15.561 0.754 2.317 1.00 0.48 H new ATOM 0 HG23 THR A 181 17.095 -0.132 2.488 1.00 0.48 H new ATOM 2807 N VAL A 182 13.281 0.211 5.084 1.00 0.40 N ATOM 2808 CA VAL A 182 12.350 1.304 5.338 1.00 0.40 C ATOM 2809 C VAL A 182 12.764 2.061 6.594 1.00 0.44 C ATOM 2810 O VAL A 182 12.860 3.286 6.590 1.00 0.48 O ATOM 2811 CB VAL A 182 10.898 0.802 5.511 1.00 0.40 C ATOM 2812 CG1 VAL A 182 9.946 1.970 5.713 1.00 0.43 C ATOM 2813 CG2 VAL A 182 10.470 -0.034 4.316 1.00 0.39 C ATOM 0 H VAL A 182 12.862 -0.718 5.131 1.00 0.40 H new ATOM 0 HA VAL A 182 12.383 1.962 4.470 1.00 0.40 H new ATOM 0 HB VAL A 182 10.862 0.172 6.399 1.00 0.40 H new ATOM 0 HG11 VAL A 182 8.930 1.595 5.833 1.00 0.43 H new ATOM 0 HG12 VAL A 182 10.235 2.525 6.605 1.00 0.43 H new ATOM 0 HG13 VAL A 182 9.990 2.629 4.846 1.00 0.43 H new ATOM 0 HG21 VAL A 182 9.445 -0.376 4.460 1.00 0.39 H new ATOM 0 HG22 VAL A 182 10.527 0.570 3.410 1.00 0.39 H new ATOM 0 HG23 VAL A 182 11.130 -0.896 4.220 1.00 0.39 H new ATOM 2823 N LYS A 183 13.027 1.317 7.661 1.00 0.44 N ATOM 2824 CA LYS A 183 13.436 1.909 8.925 1.00 0.50 C ATOM 2825 C LYS A 183 14.761 2.658 8.769 1.00 0.53 C ATOM 2826 O LYS A 183 14.935 3.743 9.318 1.00 0.60 O ATOM 2827 CB LYS A 183 13.555 0.832 10.008 1.00 0.53 C ATOM 2828 CG LYS A 183 13.742 1.394 11.411 1.00 0.60 C ATOM 2829 CD LYS A 183 13.662 0.308 12.473 1.00 0.75 C ATOM 2830 CE LYS A 183 13.472 0.907 13.860 1.00 0.93 C ATOM 2831 NZ LYS A 183 13.463 -0.134 14.919 1.00 1.59 N1+ ATOM 0 H LYS A 183 12.964 0.299 7.674 1.00 0.44 H new ATOM 0 HA LYS A 183 12.672 2.624 9.230 1.00 0.50 H new ATOM 0 HB2 LYS A 183 12.659 0.211 9.991 1.00 0.53 H new ATOM 0 HB3 LYS A 183 14.397 0.182 9.771 1.00 0.53 H new ATOM 0 HG2 LYS A 183 14.708 1.894 11.476 1.00 0.60 H new ATOM 0 HG3 LYS A 183 12.979 2.148 11.605 1.00 0.60 H new ATOM 0 HD2 LYS A 183 12.834 -0.364 12.248 1.00 0.75 H new ATOM 0 HD3 LYS A 183 14.573 -0.291 12.454 1.00 0.75 H new ATOM 0 HE2 LYS A 183 14.272 1.620 14.060 1.00 0.93 H new ATOM 0 HE3 LYS A 183 12.535 1.463 13.890 1.00 0.93 H new ATOM 0 HZ1 LYS A 183 13.331 0.316 15.847 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 12.684 -0.801 14.744 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 14.367 -0.648 14.909 1.00 1.59 H new ATOM 2845 N TYR A 184 15.682 2.080 8.005 1.00 0.52 N ATOM 2846 CA TYR A 184 16.985 2.697 7.779 1.00 0.57 C ATOM 2847 C TYR A 184 16.836 4.015 7.023 1.00 0.58 C ATOM 2848 O TYR A 184 17.459 5.016 7.378 1.00 0.65 O ATOM 2849 CB TYR A 184 17.898 1.748 6.997 1.00 0.60 C ATOM 2850 CG TYR A 184 19.335 2.215 6.914 1.00 0.70 C ATOM 2851 CD1 TYR A 184 20.157 2.187 8.033 1.00 0.84 C ATOM 2852 CD2 TYR A 184 19.871 2.683 5.716 1.00 0.74 C ATOM 2853 CE1 TYR A 184 21.468 2.611 7.965 1.00 0.99 C ATOM 2854 CE2 TYR A 184 21.186 3.109 5.643 1.00 0.88 C ATOM 2855 CZ TYR A 184 21.978 3.070 6.771 1.00 0.99 C ATOM 2856 OH TYR A 184 23.289 3.485 6.700 1.00 1.17 O ATOM 0 H TYR A 184 15.551 1.186 7.532 1.00 0.52 H new ATOM 0 HA TYR A 184 17.435 2.902 8.750 1.00 0.57 H new ATOM 0 HB2 TYR A 184 17.872 0.764 7.466 1.00 0.60 H new ATOM 0 HB3 TYR A 184 17.505 1.630 5.987 1.00 0.60 H new ATOM 0 HD1 TYR A 184 19.763 1.827 8.972 1.00 0.84 H new ATOM 0 HD2 TYR A 184 19.252 2.714 4.832 1.00 0.74 H new ATOM 0 HE1 TYR A 184 22.093 2.583 8.846 1.00 0.99 H new ATOM 0 HE2 TYR A 184 21.589 3.470 4.708 1.00 0.88 H new ATOM 0 HH TYR A 184 23.490 3.778 5.787 1.00 1.17 H new ATOM 2866 N LEU A 185 16.005 4.013 5.989 1.00 0.54 N ATOM 2867 CA LEU A 185 15.782 5.212 5.190 1.00 0.57 C ATOM 2868 C LEU A 185 15.024 6.274 5.984 1.00 0.59 C ATOM 2869 O LEU A 185 15.234 7.470 5.792 1.00 0.68 O ATOM 2870 CB LEU A 185 15.024 4.872 3.908 1.00 0.54 C ATOM 2871 CG LEU A 185 15.800 4.024 2.895 1.00 0.54 C ATOM 2872 CD1 LEU A 185 14.894 3.608 1.752 1.00 0.53 C ATOM 2873 CD2 LEU A 185 16.998 4.787 2.356 1.00 0.61 C ATOM 0 H LEU A 185 15.475 3.197 5.684 1.00 0.54 H new ATOM 0 HA LEU A 185 16.758 5.618 4.924 1.00 0.57 H new ATOM 0 HB2 LEU A 185 14.109 4.343 4.176 1.00 0.54 H new ATOM 0 HB3 LEU A 185 14.724 5.802 3.425 1.00 0.54 H new ATOM 0 HG LEU A 185 16.160 3.131 3.406 1.00 0.54 H new ATOM 0 HD11 LEU A 185 15.459 3.006 1.040 1.00 0.53 H new ATOM 0 HD12 LEU A 185 14.062 3.022 2.142 1.00 0.53 H new ATOM 0 HD13 LEU A 185 14.509 4.496 1.251 1.00 0.53 H new ATOM 0 HD21 LEU A 185 17.533 4.165 1.639 1.00 0.61 H new ATOM 0 HD22 LEU A 185 16.658 5.698 1.863 1.00 0.61 H new ATOM 0 HD23 LEU A 185 17.664 5.047 3.179 1.00 0.61 H new ATOM 2885 N SER A 186 14.147 5.833 6.882 1.00 0.55 N ATOM 2886 CA SER A 186 13.368 6.756 7.703 1.00 0.60 C ATOM 2887 C SER A 186 14.229 7.358 8.809 1.00 0.65 C ATOM 2888 O SER A 186 13.970 8.461 9.288 1.00 0.73 O ATOM 2889 CB SER A 186 12.166 6.034 8.312 1.00 0.59 C ATOM 2890 OG SER A 186 11.387 5.416 7.306 1.00 1.07 O ATOM 0 H SER A 186 13.958 4.846 7.059 1.00 0.55 H new ATOM 0 HA SER A 186 13.013 7.564 7.064 1.00 0.60 H new ATOM 0 HB2 SER A 186 12.510 5.284 9.024 1.00 0.59 H new ATOM 0 HB3 SER A 186 11.553 6.744 8.868 1.00 0.59 H new ATOM 0 HG SER A 186 11.794 4.561 7.056 1.00 1.07 H new ATOM 2896 N GLU A 187 15.263 6.628 9.201 1.00 0.66 N ATOM 2897 CA GLU A 187 16.166 7.079 10.250 1.00 0.76 C ATOM 2898 C GLU A 187 17.421 7.691 9.648 1.00 0.82 C ATOM 2899 O GLU A 187 18.424 7.889 10.336 1.00 0.98 O ATOM 2900 CB GLU A 187 16.538 5.918 11.178 1.00 0.80 C ATOM 2901 CG GLU A 187 15.411 5.505 12.110 1.00 1.10 C ATOM 2902 CD GLU A 187 14.980 6.632 13.018 1.00 1.56 C ATOM 2903 OE1 GLU A 187 15.838 7.175 13.747 1.00 2.01 O ATOM 2904 OE2 GLU A 187 13.787 6.987 13.017 1.00 2.26 O1- ATOM 0 H GLU A 187 15.498 5.717 8.807 1.00 0.66 H new ATOM 0 HA GLU A 187 15.653 7.842 10.836 1.00 0.76 H new ATOM 0 HB2 GLU A 187 16.833 5.060 10.574 1.00 0.80 H new ATOM 0 HB3 GLU A 187 17.406 6.202 11.773 1.00 0.80 H new ATOM 0 HG2 GLU A 187 14.558 5.170 11.520 1.00 1.10 H new ATOM 0 HG3 GLU A 187 15.734 4.657 12.714 1.00 1.10 H new