USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1085 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 97 ASN : amide:sc= -1.86 X(o=-3.3,f=-3.2!) USER MOD Set 1.2: A 112 TYR OH : rot -165:sc= -1.43 USER MOD Set 2.1: A 67 CYS SG : rot -123:sc= -0.495 USER MOD Set 2.2: A 71 CYS SG : rot 91:sc= 0.0529 USER MOD Set 2.3: A 98 SER OG : rot 57:sc= 1.48 USER MOD Set 3.1: A 22 ASN : amide:sc= -0.891 X(o=-0.84,f=-1.2) USER MOD Set 3.2: A 37 TYR OH : rot 180:sc= -0.568 USER MOD Set 3.3: A 52 THR OG1 : rot -34:sc= 0.0736 USER MOD Set 3.4: A 53 ASN : amide:sc= 0.545 K(o=-0.84,f=-5.2!) USER MOD Single : A 10 ASN : amide:sc=-0.00898 K(o=-0.009,f=-0.91) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.948) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= -0.0199 (180deg=-0.208) USER MOD Single : A 13 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.35) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.147 (180deg=-0.607) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= -0.0034 (180deg=-0.12) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.037 (180deg=-0.297) USER MOD Single : A 32 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0753) USER MOD Single : A 36 HIS : no HE2:sc= 0.173 K(o=0.17,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00697) USER MOD Single : A 46 THR OG1 : rot 14:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= -3.08! K(o=-3.1!,f=-1.2) USER MOD Single : A 48 MET CE :methyl 140:sc= -3.2! (180deg=-7.79!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00455 USER MOD Single : A 50 TYR OH : rot 172:sc= -0.0439 USER MOD Single : A 54 GLN : amide:sc= -7.7! C(o=-7.7!,f=-7.2!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= 0.412 (180deg=0.356) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.25) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.23) USER MOD Single : A 81 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.135 K(o=0.14,f=-0.54) USER MOD Single : A 90 LYS NZ :NH3+ -170:sc=-0.00903 (180deg=-0.142) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 30:sc= -0.442 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.0739 K(o=-0.074,f=-0.81) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -154:sc= -3.42 USER MOD Single : A 119 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-4.1!) USER MOD Single : A 121 THR OG1 : rot -66:sc= 0.326 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 CYS SG : rot 100:sc= -3.46! USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 130 GLN : amide:sc= -2.07 K(o=-2.1,f=-0.33) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -163:sc= -0.0306 (180deg=-0.311) USER MOD Single : A 138 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 24.852 -6.659 2.608 1.00 1.26 N ATOM 2 CA GLU A 9 23.883 -6.884 1.510 1.00 1.05 C ATOM 3 C GLU A 9 22.885 -5.736 1.442 1.00 0.90 C ATOM 4 O GLU A 9 22.522 -5.147 2.465 1.00 0.98 O ATOM 5 CB GLU A 9 23.124 -8.197 1.722 1.00 1.37 C ATOM 6 CG GLU A 9 22.193 -8.539 0.575 1.00 2.20 C ATOM 7 CD GLU A 9 22.928 -8.697 -0.736 1.00 2.80 C ATOM 8 OE1 GLU A 9 23.409 -9.811 -1.022 1.00 3.26 O ATOM 9 OE2 GLU A 9 23.030 -7.699 -1.479 1.00 3.20 O ATOM 0 HA GLU A 9 24.440 -6.938 0.575 1.00 1.05 H new ATOM 0 HB2 GLU A 9 23.841 -9.007 1.853 1.00 1.37 H new ATOM 0 HB3 GLU A 9 22.546 -8.131 2.644 1.00 1.37 H new ATOM 0 HG2 GLU A 9 21.662 -9.463 0.805 1.00 2.20 H new ATOM 0 HG3 GLU A 9 21.441 -7.756 0.475 1.00 2.20 H new ATOM 18 N ASN A 10 22.423 -5.446 0.228 1.00 0.79 N ATOM 19 CA ASN A 10 21.502 -4.343 -0.006 1.00 0.66 C ATOM 20 C ASN A 10 20.139 -4.613 0.618 1.00 0.59 C ATOM 21 O ASN A 10 19.377 -3.690 0.830 1.00 0.53 O ATOM 22 CB ASN A 10 21.353 -4.036 -1.504 1.00 0.62 C ATOM 23 CG ASN A 10 22.635 -3.506 -2.121 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.429 -2.838 -1.459 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.840 -3.787 -3.399 1.00 1.45 N ATOM 0 H ASN A 10 22.675 -5.965 -0.613 1.00 0.79 H new ATOM 0 HA ASN A 10 21.931 -3.465 0.477 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.049 -4.942 -2.028 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.557 -3.304 -1.644 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.679 -3.447 -3.868 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.158 -4.344 -3.914 1.00 1.45 H new ATOM 32 N LYS A 11 19.830 -5.880 0.886 1.00 0.63 N ATOM 33 CA LYS A 11 18.586 -6.243 1.572 1.00 0.62 C ATOM 34 C LYS A 11 18.471 -5.529 2.917 1.00 0.62 C ATOM 35 O LYS A 11 17.482 -4.846 3.188 1.00 0.58 O ATOM 36 CB LYS A 11 18.511 -7.754 1.804 1.00 0.71 C ATOM 37 CG LYS A 11 18.486 -8.575 0.530 1.00 0.79 C ATOM 38 CD LYS A 11 18.248 -10.046 0.826 1.00 1.12 C ATOM 39 CE LYS A 11 17.995 -10.841 -0.442 1.00 1.50 C ATOM 40 NZ LYS A 11 16.697 -10.481 -1.078 1.00 2.19 N ATOM 0 H LYS A 11 20.421 -6.674 0.640 1.00 0.63 H new ATOM 0 HA LYS A 11 17.762 -5.933 0.929 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.367 -8.061 2.405 1.00 0.71 H new ATOM 0 HB3 LYS A 11 17.616 -7.978 2.385 1.00 0.71 H new ATOM 0 HG2 LYS A 11 17.702 -8.203 -0.130 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.431 -8.457 -0.000 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.113 -10.457 1.346 1.00 1.12 H new ATOM 0 HD3 LYS A 11 17.394 -10.149 1.496 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.806 -10.664 -1.148 1.00 1.50 H new ATOM 0 HE3 LYS A 11 18.002 -11.906 -0.209 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 16.375 -11.267 -1.678 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 15.988 -10.296 -0.340 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 16.821 -9.628 -1.661 1.00 2.19 H new ATOM 54 N LYS A 12 19.496 -5.681 3.748 1.00 0.70 N ATOM 55 CA LYS A 12 19.508 -5.066 5.072 1.00 0.74 C ATOM 56 C LYS A 12 19.602 -3.552 4.944 1.00 0.66 C ATOM 57 O LYS A 12 18.996 -2.807 5.718 1.00 0.63 O ATOM 58 CB LYS A 12 20.682 -5.598 5.894 1.00 0.90 C ATOM 59 CG LYS A 12 20.703 -7.113 6.028 1.00 1.54 C ATOM 60 CD LYS A 12 19.496 -7.630 6.793 1.00 2.02 C ATOM 61 CE LYS A 12 19.490 -9.149 6.864 1.00 2.38 C ATOM 62 NZ LYS A 12 20.718 -9.685 7.509 1.00 2.83 N ATOM 0 H LYS A 12 20.330 -6.225 3.529 1.00 0.70 H new ATOM 0 HA LYS A 12 18.580 -5.320 5.584 1.00 0.74 H new ATOM 0 HB2 LYS A 12 21.614 -5.271 5.433 1.00 0.90 H new ATOM 0 HB3 LYS A 12 20.646 -5.155 6.889 1.00 0.90 H new ATOM 0 HG2 LYS A 12 20.725 -7.565 5.036 1.00 1.54 H new ATOM 0 HG3 LYS A 12 21.616 -7.420 6.539 1.00 1.54 H new ATOM 0 HD2 LYS A 12 19.499 -7.218 7.802 1.00 2.02 H new ATOM 0 HD3 LYS A 12 18.582 -7.284 6.310 1.00 2.02 H new ATOM 0 HE2 LYS A 12 18.614 -9.482 7.421 1.00 2.38 H new ATOM 0 HE3 LYS A 12 19.402 -9.558 5.857 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 20.587 -10.695 7.720 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 21.527 -9.568 6.866 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 20.900 -9.167 8.392 1.00 2.83 H new ATOM 76 N GLN A 13 20.361 -3.109 3.952 1.00 0.64 N ATOM 77 CA GLN A 13 20.469 -1.703 3.626 1.00 0.59 C ATOM 78 C GLN A 13 19.121 -1.148 3.176 1.00 0.50 C ATOM 79 O GLN A 13 18.798 0.011 3.424 1.00 0.49 O ATOM 80 CB GLN A 13 21.498 -1.527 2.521 1.00 0.62 C ATOM 81 CG GLN A 13 22.933 -1.523 2.994 1.00 0.90 C ATOM 82 CD GLN A 13 23.217 -0.438 4.018 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.593 0.679 3.668 1.00 2.07 O ATOM 84 NE2 GLN A 13 23.043 -0.761 5.291 1.00 2.26 N ATOM 0 H GLN A 13 20.918 -3.718 3.353 1.00 0.64 H new ATOM 0 HA GLN A 13 20.783 -1.155 4.514 1.00 0.59 H new ATOM 0 HB2 GLN A 13 21.371 -2.328 1.793 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.298 -0.590 2.002 1.00 0.62 H new ATOM 0 HG2 GLN A 13 23.170 -2.495 3.427 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.592 -1.387 2.137 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.730 -1.699 5.541 1.00 2.26 H new ATOM 0 HE22 GLN A 13 23.222 -0.072 6.021 1.00 2.26 H new ATOM 93 N ALA A 14 18.348 -1.988 2.500 1.00 0.46 N ATOM 94 CA ALA A 14 17.027 -1.619 2.026 1.00 0.38 C ATOM 95 C ALA A 14 16.083 -1.400 3.200 1.00 0.39 C ATOM 96 O ALA A 14 15.212 -0.540 3.149 1.00 0.36 O ATOM 97 CB ALA A 14 16.492 -2.684 1.078 1.00 0.36 C ATOM 0 H ALA A 14 18.622 -2.943 2.267 1.00 0.46 H new ATOM 0 HA ALA A 14 17.098 -0.681 1.475 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.500 -2.396 0.729 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.163 -2.781 0.224 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.429 -3.638 1.601 1.00 0.36 H new ATOM 103 N LEU A 15 16.261 -2.177 4.262 1.00 0.45 N ATOM 104 CA LEU A 15 15.520 -1.940 5.495 1.00 0.47 C ATOM 105 C LEU A 15 15.874 -0.569 6.044 1.00 0.49 C ATOM 106 O LEU A 15 15.003 0.193 6.455 1.00 0.49 O ATOM 107 CB LEU A 15 15.834 -3.008 6.547 1.00 0.54 C ATOM 108 CG LEU A 15 15.231 -4.389 6.296 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.740 -5.379 7.330 1.00 1.98 C ATOM 110 CD2 LEU A 15 13.710 -4.322 6.332 1.00 1.31 C ATOM 0 H LEU A 15 16.904 -2.968 4.295 1.00 0.45 H new ATOM 0 HA LEU A 15 14.455 -1.988 5.267 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.917 -3.113 6.618 1.00 0.54 H new ATOM 0 HB3 LEU A 15 15.484 -2.651 7.515 1.00 0.54 H new ATOM 0 HG LEU A 15 15.538 -4.727 5.306 1.00 1.13 H new ATOM 0 HD11 LEU A 15 15.303 -6.360 7.141 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.826 -5.447 7.265 1.00 1.98 H new ATOM 0 HD13 LEU A 15 15.456 -5.042 8.327 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.298 -5.315 6.151 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.385 -3.966 7.310 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.358 -3.637 5.561 1.00 1.31 H new ATOM 122 N LYS A 16 17.166 -0.268 6.021 1.00 0.51 N ATOM 123 CA LYS A 16 17.679 1.019 6.460 1.00 0.54 C ATOM 124 C LYS A 16 17.063 2.147 5.633 1.00 0.48 C ATOM 125 O LYS A 16 16.593 3.143 6.177 1.00 0.49 O ATOM 126 CB LYS A 16 19.204 1.027 6.325 1.00 0.62 C ATOM 127 CG LYS A 16 19.882 2.252 6.909 1.00 0.79 C ATOM 128 CD LYS A 16 19.769 2.285 8.423 1.00 1.64 C ATOM 129 CE LYS A 16 20.613 3.401 9.013 1.00 1.89 C ATOM 130 NZ LYS A 16 22.054 3.235 8.688 1.00 2.88 N ATOM 0 H LYS A 16 17.887 -0.912 5.696 1.00 0.51 H new ATOM 0 HA LYS A 16 17.410 1.178 7.504 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.604 0.139 6.814 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.463 0.953 5.269 1.00 0.62 H new ATOM 0 HG2 LYS A 16 20.933 2.258 6.622 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.432 3.152 6.490 1.00 0.79 H new ATOM 0 HD2 LYS A 16 18.727 2.424 8.709 1.00 1.64 H new ATOM 0 HD3 LYS A 16 20.088 1.328 8.835 1.00 1.64 H new ATOM 0 HE2 LYS A 16 20.263 4.361 8.633 1.00 1.89 H new ATOM 0 HE3 LYS A 16 20.484 3.420 10.095 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.628 3.759 9.379 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 22.304 2.226 8.725 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 22.239 3.603 7.733 1.00 2.88 H new ATOM 144 N GLU A 17 17.051 1.970 4.314 1.00 0.42 N ATOM 145 CA GLU A 17 16.443 2.940 3.409 1.00 0.38 C ATOM 146 C GLU A 17 14.940 3.039 3.649 1.00 0.35 C ATOM 147 O GLU A 17 14.364 4.124 3.585 1.00 0.34 O ATOM 148 CB GLU A 17 16.740 2.576 1.948 1.00 0.35 C ATOM 149 CG GLU A 17 18.170 2.864 1.532 1.00 0.39 C ATOM 150 CD GLU A 17 18.645 4.233 1.988 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.129 5.247 1.473 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.530 4.304 2.869 1.00 0.54 O ATOM 0 H GLU A 17 17.458 1.159 3.847 1.00 0.42 H new ATOM 0 HA GLU A 17 16.881 3.917 3.613 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.532 1.517 1.796 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.062 3.130 1.299 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.826 2.099 1.946 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.249 2.799 0.447 1.00 0.39 H new ATOM 159 N LYS A 18 14.311 1.911 3.950 1.00 0.34 N ATOM 160 CA LYS A 18 12.892 1.898 4.271 1.00 0.34 C ATOM 161 C LYS A 18 12.635 2.696 5.552 1.00 0.40 C ATOM 162 O LYS A 18 11.675 3.458 5.637 1.00 0.41 O ATOM 163 CB LYS A 18 12.382 0.460 4.423 1.00 0.34 C ATOM 164 CG LYS A 18 10.882 0.370 4.666 1.00 0.33 C ATOM 165 CD LYS A 18 10.457 -1.007 5.158 1.00 0.36 C ATOM 166 CE LYS A 18 11.015 -1.318 6.540 1.00 0.50 C ATOM 167 NZ LYS A 18 10.435 -0.437 7.587 1.00 0.80 N ATOM 0 H LYS A 18 14.760 0.996 3.978 1.00 0.34 H new ATOM 0 HA LYS A 18 12.347 2.366 3.451 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.631 -0.102 3.523 1.00 0.34 H new ATOM 0 HB3 LYS A 18 12.906 -0.017 5.252 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.589 1.121 5.399 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.352 0.603 3.742 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.369 -1.062 5.186 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.796 -1.765 4.452 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.809 -2.359 6.788 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.099 -1.201 6.528 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.680 -0.807 8.527 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.818 0.524 7.483 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.400 -0.411 7.484 1.00 0.80 H new ATOM 181 N GLU A 19 13.512 2.523 6.536 1.00 0.46 N ATOM 182 CA GLU A 19 13.414 3.251 7.800 1.00 0.52 C ATOM 183 C GLU A 19 13.693 4.733 7.600 1.00 0.50 C ATOM 184 O GLU A 19 13.025 5.579 8.186 1.00 0.53 O ATOM 185 CB GLU A 19 14.394 2.680 8.823 1.00 0.58 C ATOM 186 CG GLU A 19 14.099 1.246 9.227 1.00 0.63 C ATOM 187 CD GLU A 19 15.065 0.736 10.273 1.00 1.32 C ATOM 188 OE1 GLU A 19 16.210 0.392 9.915 1.00 2.32 O ATOM 189 OE2 GLU A 19 14.690 0.691 11.467 1.00 1.29 O ATOM 0 H GLU A 19 14.303 1.882 6.483 1.00 0.46 H new ATOM 0 HA GLU A 19 12.396 3.134 8.172 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.403 2.731 8.413 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.380 3.308 9.714 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.081 1.181 9.612 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.148 0.605 8.347 1.00 0.63 H new ATOM 196 N LEU A 20 14.688 5.036 6.779 1.00 0.47 N ATOM 197 CA LEU A 20 15.037 6.416 6.467 1.00 0.46 C ATOM 198 C LEU A 20 13.895 7.112 5.738 1.00 0.43 C ATOM 199 O LEU A 20 13.598 8.280 5.994 1.00 0.45 O ATOM 200 CB LEU A 20 16.315 6.462 5.624 1.00 0.45 C ATOM 201 CG LEU A 20 17.598 6.792 6.388 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.526 8.198 6.959 1.00 0.58 C ATOM 203 CD2 LEU A 20 17.844 5.778 7.495 1.00 0.60 C ATOM 0 H LEU A 20 15.272 4.341 6.314 1.00 0.47 H new ATOM 0 HA LEU A 20 15.215 6.945 7.403 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.442 5.496 5.136 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.182 7.202 4.835 1.00 0.45 H new ATOM 0 HG LEU A 20 18.434 6.742 5.691 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.446 8.419 7.500 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.402 8.915 6.147 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.678 8.271 7.640 1.00 0.58 H new ATOM 0 HD21 LEU A 20 18.762 6.033 8.025 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.007 5.791 8.193 1.00 0.60 H new ATOM 0 HD23 LEU A 20 17.940 4.782 7.062 1.00 0.60 H new ATOM 215 N GLY A 21 13.266 6.391 4.820 1.00 0.39 N ATOM 216 CA GLY A 21 12.093 6.909 4.149 1.00 0.37 C ATOM 217 C GLY A 21 10.944 7.095 5.114 1.00 0.40 C ATOM 218 O GLY A 21 10.364 8.169 5.191 1.00 0.41 O ATOM 0 H GLY A 21 13.549 5.455 4.528 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.333 7.862 3.678 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.795 6.226 3.353 1.00 0.37 H new ATOM 222 N ASN A 22 10.641 6.052 5.872 1.00 0.43 N ATOM 223 CA ASN A 22 9.567 6.093 6.865 1.00 0.47 C ATOM 224 C ASN A 22 9.785 7.209 7.883 1.00 0.53 C ATOM 225 O ASN A 22 8.835 7.838 8.346 1.00 0.56 O ATOM 226 CB ASN A 22 9.486 4.756 7.597 1.00 0.52 C ATOM 227 CG ASN A 22 8.249 4.629 8.467 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.207 5.218 8.184 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.355 3.849 9.529 1.00 1.23 N ATOM 0 H ASN A 22 11.127 5.156 5.820 1.00 0.43 H new ATOM 0 HA ASN A 22 8.635 6.288 6.335 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.494 3.947 6.866 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.374 4.634 8.218 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.555 3.719 10.148 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.237 3.378 9.730 1.00 1.23 H new ATOM 236 N ASP A 23 11.037 7.447 8.228 1.00 0.54 N ATOM 237 CA ASP A 23 11.382 8.461 9.214 1.00 0.59 C ATOM 238 C ASP A 23 11.055 9.851 8.683 1.00 0.58 C ATOM 239 O ASP A 23 10.500 10.686 9.398 1.00 0.62 O ATOM 240 CB ASP A 23 12.863 8.358 9.564 1.00 0.61 C ATOM 241 CG ASP A 23 13.201 9.065 10.858 1.00 0.74 C ATOM 242 OD1 ASP A 23 12.605 8.729 11.901 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.068 9.963 10.837 1.00 0.79 O ATOM 0 H ASP A 23 11.838 6.950 7.839 1.00 0.54 H new ATOM 0 HA ASP A 23 10.794 8.293 10.116 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.142 7.307 9.644 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.455 8.785 8.755 1.00 0.61 H new ATOM 248 N ALA A 24 11.389 10.083 7.419 1.00 0.53 N ATOM 249 CA ALA A 24 11.052 11.331 6.745 1.00 0.53 C ATOM 250 C ALA A 24 9.548 11.400 6.487 1.00 0.53 C ATOM 251 O ALA A 24 8.947 12.473 6.504 1.00 0.58 O ATOM 252 CB ALA A 24 11.828 11.437 5.444 1.00 0.49 C ATOM 0 H ALA A 24 11.897 9.417 6.836 1.00 0.53 H new ATOM 0 HA ALA A 24 11.327 12.171 7.383 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.573 12.371 4.943 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.897 11.419 5.656 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.571 10.597 4.798 1.00 0.49 H new ATOM 258 N TYR A 25 8.960 10.232 6.260 1.00 0.48 N ATOM 259 CA TYR A 25 7.517 10.077 6.096 1.00 0.49 C ATOM 260 C TYR A 25 6.792 10.613 7.328 1.00 0.59 C ATOM 261 O TYR A 25 5.776 11.300 7.223 1.00 0.63 O ATOM 262 CB TYR A 25 7.213 8.589 5.888 1.00 0.46 C ATOM 263 CG TYR A 25 5.763 8.231 5.654 1.00 0.48 C ATOM 264 CD1 TYR A 25 4.929 7.939 6.721 1.00 0.64 C ATOM 265 CD2 TYR A 25 5.221 8.226 4.375 1.00 0.40 C ATOM 266 CE1 TYR A 25 3.594 7.649 6.527 1.00 0.68 C ATOM 267 CE2 TYR A 25 3.887 7.929 4.169 1.00 0.45 C ATOM 268 CZ TYR A 25 3.118 7.500 5.201 1.00 0.54 C ATOM 269 OH TYR A 25 1.742 7.360 5.043 1.00 0.63 O ATOM 0 H TYR A 25 9.476 9.355 6.183 1.00 0.48 H new ATOM 0 HA TYR A 25 7.170 10.643 5.232 1.00 0.49 H new ATOM 0 HB2 TYR A 25 7.795 8.236 5.037 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.564 8.042 6.763 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.331 7.938 7.723 1.00 0.64 H new ATOM 0 HD2 TYR A 25 5.851 8.458 3.529 1.00 0.40 H new ATOM 0 HE1 TYR A 25 2.926 7.538 7.368 1.00 0.68 H new ATOM 0 HE2 TYR A 25 3.456 8.039 3.185 1.00 0.45 H new ATOM 0 HH TYR A 25 1.530 7.266 4.091 1.00 0.63 H new ATOM 279 N LYS A 26 7.350 10.307 8.491 1.00 0.65 N ATOM 280 CA LYS A 26 6.803 10.753 9.767 1.00 0.77 C ATOM 281 C LYS A 26 7.046 12.248 9.978 1.00 0.81 C ATOM 282 O LYS A 26 6.371 12.892 10.780 1.00 0.94 O ATOM 283 CB LYS A 26 7.435 9.949 10.905 1.00 0.82 C ATOM 284 CG LYS A 26 7.117 8.464 10.845 1.00 0.86 C ATOM 285 CD LYS A 26 7.846 7.697 11.933 1.00 1.03 C ATOM 286 CE LYS A 26 7.637 6.199 11.794 1.00 0.90 C ATOM 287 NZ LYS A 26 8.306 5.436 12.884 1.00 1.62 N ATOM 0 H LYS A 26 8.195 9.742 8.578 1.00 0.65 H new ATOM 0 HA LYS A 26 5.726 10.587 9.759 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.516 10.083 10.877 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.089 10.349 11.858 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.042 8.316 10.951 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.398 8.069 9.869 1.00 0.86 H new ATOM 0 HD2 LYS A 26 8.911 7.923 11.887 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.493 8.026 12.910 1.00 1.03 H new ATOM 0 HE2 LYS A 26 6.569 5.980 11.802 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.023 5.867 10.830 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 8.137 4.419 12.750 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 9.329 5.623 12.862 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 7.920 5.733 13.803 1.00 1.62 H new ATOM 301 N LYS A 27 8.002 12.793 9.239 1.00 0.75 N ATOM 302 CA LYS A 27 8.375 14.198 9.366 1.00 0.80 C ATOM 303 C LYS A 27 7.717 15.042 8.281 1.00 0.79 C ATOM 304 O LYS A 27 8.093 16.196 8.074 1.00 0.84 O ATOM 305 CB LYS A 27 9.895 14.343 9.277 1.00 0.80 C ATOM 306 CG LYS A 27 10.638 13.694 10.428 1.00 1.16 C ATOM 307 CD LYS A 27 12.142 13.697 10.202 1.00 1.58 C ATOM 308 CE LYS A 27 12.706 15.106 10.120 1.00 1.93 C ATOM 309 NZ LYS A 27 14.171 15.097 9.860 1.00 2.31 N ATOM 0 H LYS A 27 8.538 12.280 8.539 1.00 0.75 H new ATOM 0 HA LYS A 27 8.028 14.554 10.336 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.239 13.904 8.341 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.149 15.403 9.244 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.408 14.223 11.353 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.291 12.668 10.552 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.631 13.158 11.014 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.371 13.161 9.281 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.199 15.656 9.327 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.505 15.634 11.052 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.521 16.075 9.810 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.657 14.594 10.630 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.361 14.616 8.958 1.00 2.31 H new ATOM 323 N LYS A 28 6.743 14.453 7.587 1.00 0.77 N ATOM 324 CA LYS A 28 6.034 15.127 6.496 1.00 0.80 C ATOM 325 C LYS A 28 6.983 15.534 5.378 1.00 0.71 C ATOM 326 O LYS A 28 6.682 16.422 4.580 1.00 0.75 O ATOM 327 CB LYS A 28 5.277 16.337 7.023 1.00 0.96 C ATOM 328 CG LYS A 28 4.201 15.966 8.022 1.00 1.07 C ATOM 329 CD LYS A 28 3.632 17.193 8.700 1.00 1.24 C ATOM 330 CE LYS A 28 2.509 16.830 9.659 1.00 1.77 C ATOM 331 NZ LYS A 28 1.360 16.194 8.960 1.00 2.39 N ATOM 0 H LYS A 28 6.424 13.500 7.763 1.00 0.77 H new ATOM 0 HA LYS A 28 5.318 14.419 6.078 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.981 17.024 7.492 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.823 16.868 6.187 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.402 15.425 7.515 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.615 15.293 8.772 1.00 1.07 H new ATOM 0 HD2 LYS A 28 4.423 17.709 9.244 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.258 17.886 7.946 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.890 16.151 10.422 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.168 17.728 10.174 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.529 16.194 9.586 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 1.142 16.728 8.095 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.605 15.215 8.710 1.00 2.39 H new ATOM 345 N ASP A 29 8.128 14.877 5.318 1.00 0.64 N ATOM 346 CA ASP A 29 9.048 15.079 4.220 1.00 0.59 C ATOM 347 C ASP A 29 8.848 13.946 3.236 1.00 0.50 C ATOM 348 O ASP A 29 9.738 13.130 3.004 1.00 0.47 O ATOM 349 CB ASP A 29 10.493 15.134 4.702 1.00 0.60 C ATOM 350 CG ASP A 29 11.322 16.073 3.851 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.438 15.838 2.634 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.839 17.077 4.393 1.00 1.39 O ATOM 0 H ASP A 29 8.440 14.202 6.016 1.00 0.64 H new ATOM 0 HA ASP A 29 8.846 16.037 3.742 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.520 15.462 5.741 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.927 14.134 4.672 1.00 0.60 H new ATOM 357 N PHE A 30 7.647 13.909 2.677 1.00 0.49 N ATOM 358 CA PHE A 30 7.174 12.783 1.888 1.00 0.44 C ATOM 359 C PHE A 30 8.041 12.528 0.658 1.00 0.42 C ATOM 360 O PHE A 30 8.210 11.383 0.245 1.00 0.43 O ATOM 361 CB PHE A 30 5.707 13.006 1.519 1.00 0.45 C ATOM 362 CG PHE A 30 4.808 12.969 2.728 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.441 11.768 3.313 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.314 14.144 3.266 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.603 11.742 4.411 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.476 14.124 4.365 1.00 0.71 C ATOM 367 CZ PHE A 30 3.178 12.882 4.979 1.00 0.66 C ATOM 0 H PHE A 30 6.969 14.666 2.760 1.00 0.49 H new ATOM 0 HA PHE A 30 7.253 11.880 2.493 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.602 13.968 1.018 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.392 12.241 0.809 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.815 10.840 2.905 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.587 15.090 2.821 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.286 10.793 4.818 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.055 15.041 4.750 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.612 12.853 5.899 1.00 0.66 H new ATOM 377 N ASP A 31 8.621 13.575 0.091 1.00 0.46 N ATOM 378 CA ASP A 31 9.521 13.399 -1.045 1.00 0.48 C ATOM 379 C ASP A 31 10.790 12.686 -0.617 1.00 0.44 C ATOM 380 O ASP A 31 11.250 11.769 -1.291 1.00 0.42 O ATOM 381 CB ASP A 31 9.871 14.728 -1.705 1.00 0.57 C ATOM 382 CG ASP A 31 8.745 15.255 -2.566 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.565 14.739 -3.691 1.00 1.93 O ATOM 384 OD2 ASP A 31 8.037 16.184 -2.126 1.00 1.61 O ATOM 0 H ASP A 31 8.490 14.541 0.390 1.00 0.46 H new ATOM 0 HA ASP A 31 8.995 12.788 -1.779 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.111 15.461 -0.935 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.765 14.603 -2.316 1.00 0.57 H new ATOM 389 N THR A 32 11.349 13.103 0.507 1.00 0.45 N ATOM 390 CA THR A 32 12.522 12.449 1.066 1.00 0.45 C ATOM 391 C THR A 32 12.164 11.038 1.530 1.00 0.39 C ATOM 392 O THR A 32 12.962 10.104 1.408 1.00 0.38 O ATOM 393 CB THR A 32 13.086 13.268 2.242 1.00 0.50 C ATOM 394 OG1 THR A 32 13.460 14.572 1.783 1.00 0.57 O ATOM 395 CG2 THR A 32 14.283 12.587 2.880 1.00 0.52 C ATOM 0 H THR A 32 11.008 13.895 1.053 1.00 0.45 H new ATOM 0 HA THR A 32 13.286 12.383 0.292 1.00 0.45 H new ATOM 0 HB THR A 32 12.306 13.348 2.999 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.665 15.143 1.737 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.651 13.197 3.705 1.00 0.52 H new ATOM 0 HG22 THR A 32 13.987 11.608 3.256 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.072 12.467 2.137 1.00 0.52 H new ATOM 403 N ALA A 33 10.950 10.895 2.046 1.00 0.38 N ATOM 404 CA ALA A 33 10.432 9.601 2.452 1.00 0.36 C ATOM 405 C ALA A 33 10.417 8.640 1.279 1.00 0.30 C ATOM 406 O ALA A 33 11.054 7.585 1.310 1.00 0.28 O ATOM 407 CB ALA A 33 9.030 9.750 3.012 1.00 0.39 C ATOM 0 H ALA A 33 10.303 11.669 2.193 1.00 0.38 H new ATOM 0 HA ALA A 33 11.085 9.198 3.226 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.653 8.773 3.313 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.052 10.412 3.877 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.376 10.172 2.249 1.00 0.39 H new ATOM 413 N LEU A 34 9.708 9.036 0.232 1.00 0.29 N ATOM 414 CA LEU A 34 9.573 8.223 -0.960 1.00 0.26 C ATOM 415 C LEU A 34 10.935 8.023 -1.618 1.00 0.26 C ATOM 416 O LEU A 34 11.181 7.016 -2.272 1.00 0.26 O ATOM 417 CB LEU A 34 8.607 8.900 -1.929 1.00 0.28 C ATOM 418 CG LEU A 34 7.653 7.968 -2.667 1.00 0.33 C ATOM 419 CD1 LEU A 34 6.543 8.776 -3.305 1.00 0.81 C ATOM 420 CD2 LEU A 34 8.385 7.147 -3.718 1.00 0.53 C ATOM 0 H LEU A 34 9.213 9.927 0.188 1.00 0.29 H new ATOM 0 HA LEU A 34 9.178 7.245 -0.687 1.00 0.26 H new ATOM 0 HB2 LEU A 34 8.017 9.630 -1.375 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.189 9.454 -2.666 1.00 0.28 H new ATOM 0 HG LEU A 34 7.224 7.273 -1.946 1.00 0.33 H new ATOM 0 HD11 LEU A 34 5.863 8.107 -3.832 1.00 0.81 H new ATOM 0 HD12 LEU A 34 5.995 9.316 -2.532 1.00 0.81 H new ATOM 0 HD13 LEU A 34 6.971 9.488 -4.011 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.677 6.493 -4.226 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.848 7.815 -4.444 1.00 0.53 H new ATOM 0 HD23 LEU A 34 9.155 6.544 -3.237 1.00 0.53 H new ATOM 432 N LYS A 35 11.818 8.990 -1.422 1.00 0.31 N ATOM 433 CA LYS A 35 13.155 8.942 -1.988 1.00 0.33 C ATOM 434 C LYS A 35 13.936 7.748 -1.436 1.00 0.29 C ATOM 435 O LYS A 35 14.518 6.978 -2.197 1.00 0.30 O ATOM 436 CB LYS A 35 13.887 10.252 -1.687 1.00 0.40 C ATOM 437 CG LYS A 35 14.730 10.779 -2.838 1.00 0.49 C ATOM 438 CD LYS A 35 13.888 11.104 -4.070 1.00 0.53 C ATOM 439 CE LYS A 35 12.936 12.275 -3.838 1.00 0.60 C ATOM 440 NZ LYS A 35 13.659 13.558 -3.639 1.00 1.41 N ATOM 0 H LYS A 35 11.628 9.826 -0.869 1.00 0.31 H new ATOM 0 HA LYS A 35 13.077 8.818 -3.068 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.153 11.010 -1.414 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.530 10.104 -0.820 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.261 11.675 -2.516 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.485 10.038 -3.101 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.548 11.337 -4.905 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.312 10.223 -4.355 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.263 12.368 -4.691 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.317 12.070 -2.964 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 12.976 14.342 -3.621 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.177 13.529 -2.737 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.331 13.702 -4.419 1.00 1.41 H new ATOM 454 N HIS A 36 13.937 7.581 -0.115 1.00 0.29 N ATOM 455 CA HIS A 36 14.620 6.437 0.498 1.00 0.29 C ATOM 456 C HIS A 36 13.813 5.172 0.287 1.00 0.25 C ATOM 457 O HIS A 36 14.368 4.095 0.089 1.00 0.27 O ATOM 458 CB HIS A 36 14.833 6.628 1.994 1.00 0.38 C ATOM 459 CG HIS A 36 15.762 7.733 2.355 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.134 7.615 2.302 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.506 8.982 2.793 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.683 8.748 2.696 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.717 9.595 2.998 1.00 0.46 N ATOM 0 H HIS A 36 13.481 8.211 0.545 1.00 0.29 H new ATOM 0 HA HIS A 36 15.594 6.357 0.016 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.867 6.816 2.463 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.216 5.698 2.414 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.644 6.783 2.005 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.531 9.418 2.953 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.742 8.948 2.760 1.00 0.47 H new ATOM 472 N TYR A 37 12.498 5.311 0.345 1.00 0.22 N ATOM 473 CA TYR A 37 11.601 4.196 0.101 1.00 0.21 C ATOM 474 C TYR A 37 11.855 3.596 -1.280 1.00 0.21 C ATOM 475 O TYR A 37 11.860 2.375 -1.449 1.00 0.24 O ATOM 476 CB TYR A 37 10.153 4.659 0.221 1.00 0.22 C ATOM 477 CG TYR A 37 9.550 4.475 1.592 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.714 3.287 2.288 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.784 5.474 2.172 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.136 3.104 3.527 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.192 5.294 3.407 1.00 0.41 C ATOM 482 CZ TYR A 37 8.373 4.106 4.079 1.00 0.36 C ATOM 483 OH TYR A 37 7.771 3.906 5.300 1.00 0.48 O ATOM 0 H TYR A 37 12.028 6.190 0.560 1.00 0.22 H new ATOM 0 HA TYR A 37 11.789 3.425 0.848 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.098 5.714 -0.048 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.549 4.114 -0.504 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.303 2.493 1.853 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.648 6.409 1.649 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.282 2.177 4.062 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.592 6.079 3.842 1.00 0.41 H new ATOM 0 HH TYR A 37 7.268 4.709 5.552 1.00 0.48 H new ATOM 493 N ASP A 38 12.071 4.466 -2.260 1.00 0.25 N ATOM 494 CA ASP A 38 12.406 4.039 -3.613 1.00 0.31 C ATOM 495 C ASP A 38 13.793 3.422 -3.645 1.00 0.30 C ATOM 496 O ASP A 38 14.023 2.416 -4.315 1.00 0.32 O ATOM 497 CB ASP A 38 12.344 5.215 -4.580 1.00 0.42 C ATOM 498 CG ASP A 38 12.654 4.806 -6.006 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.753 4.268 -6.679 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.800 5.027 -6.459 1.00 1.51 O ATOM 0 H ASP A 38 12.020 5.478 -2.141 1.00 0.25 H new ATOM 0 HA ASP A 38 11.676 3.291 -3.922 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.351 5.662 -4.541 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.051 5.981 -4.262 1.00 0.42 H new ATOM 505 N LYS A 39 14.708 4.034 -2.906 1.00 0.30 N ATOM 506 CA LYS A 39 16.070 3.532 -2.793 1.00 0.32 C ATOM 507 C LYS A 39 16.068 2.109 -2.238 1.00 0.29 C ATOM 508 O LYS A 39 16.793 1.246 -2.720 1.00 0.32 O ATOM 509 CB LYS A 39 16.903 4.446 -1.892 1.00 0.35 C ATOM 510 CG LYS A 39 18.372 4.064 -1.820 1.00 0.41 C ATOM 511 CD LYS A 39 19.036 4.145 -3.185 1.00 0.47 C ATOM 512 CE LYS A 39 20.503 3.775 -3.107 1.00 0.54 C ATOM 513 NZ LYS A 39 21.137 3.713 -4.451 1.00 1.25 N ATOM 0 H LYS A 39 14.530 4.885 -2.372 1.00 0.30 H new ATOM 0 HA LYS A 39 16.516 3.520 -3.787 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.821 5.471 -2.255 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.483 4.429 -0.886 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.887 4.726 -1.124 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.467 3.052 -1.427 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.527 3.477 -3.880 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.934 5.155 -3.582 1.00 0.47 H new ATOM 0 HE2 LYS A 39 21.028 4.506 -2.492 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.607 2.809 -2.613 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.140 3.457 -4.350 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.653 2.997 -5.030 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.062 4.641 -4.913 1.00 1.25 H new ATOM 527 N ALA A 40 15.230 1.873 -1.236 1.00 0.25 N ATOM 528 CA ALA A 40 15.092 0.548 -0.645 1.00 0.24 C ATOM 529 C ALA A 40 14.619 -0.464 -1.684 1.00 0.22 C ATOM 530 O ALA A 40 14.980 -1.631 -1.630 1.00 0.26 O ATOM 531 CB ALA A 40 14.129 0.595 0.534 1.00 0.22 C ATOM 0 H ALA A 40 14.634 2.585 -0.814 1.00 0.25 H new ATOM 0 HA ALA A 40 16.070 0.229 -0.285 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.035 -0.401 0.967 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.510 1.284 1.288 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.152 0.936 0.192 1.00 0.22 H new ATOM 537 N LYS A 41 13.826 0.002 -2.640 1.00 0.23 N ATOM 538 CA LYS A 41 13.337 -0.851 -3.719 1.00 0.26 C ATOM 539 C LYS A 41 14.441 -1.110 -4.742 1.00 0.31 C ATOM 540 O LYS A 41 14.397 -2.085 -5.489 1.00 0.37 O ATOM 541 CB LYS A 41 12.138 -0.194 -4.396 1.00 0.29 C ATOM 542 CG LYS A 41 11.533 -0.991 -5.536 1.00 0.41 C ATOM 543 CD LYS A 41 10.402 -0.218 -6.190 1.00 0.78 C ATOM 544 CE LYS A 41 9.741 -1.008 -7.302 1.00 0.89 C ATOM 545 NZ LYS A 41 10.623 -1.153 -8.489 1.00 1.37 N ATOM 0 H LYS A 41 13.506 0.969 -2.691 1.00 0.23 H new ATOM 0 HA LYS A 41 13.029 -1.807 -3.296 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.367 -0.018 -3.646 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.443 0.781 -4.775 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.301 -1.217 -6.276 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.160 -1.944 -5.162 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.657 0.041 -5.437 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.788 0.719 -6.591 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.469 -1.996 -6.931 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.816 -0.512 -7.597 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.111 -1.655 -9.242 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.904 -0.211 -8.830 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.472 -1.694 -8.227 1.00 1.37 H new ATOM 559 N GLU A 42 15.420 -0.222 -4.790 1.00 0.32 N ATOM 560 CA GLU A 42 16.579 -0.423 -5.645 1.00 0.38 C ATOM 561 C GLU A 42 17.549 -1.377 -4.963 1.00 0.40 C ATOM 562 O GLU A 42 18.262 -2.140 -5.617 1.00 0.50 O ATOM 563 CB GLU A 42 17.268 0.908 -5.950 1.00 0.43 C ATOM 564 CG GLU A 42 16.349 1.937 -6.585 1.00 1.11 C ATOM 565 CD GLU A 42 17.091 3.167 -7.061 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.513 3.977 -6.207 1.00 2.78 O ATOM 567 OE2 GLU A 42 17.254 3.336 -8.285 1.00 2.03 O ATOM 0 H GLU A 42 15.436 0.643 -4.249 1.00 0.32 H new ATOM 0 HA GLU A 42 16.250 -0.854 -6.591 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.674 1.318 -5.025 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.112 0.727 -6.616 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.829 1.482 -7.428 1.00 1.11 H new ATOM 0 HG3 GLU A 42 15.588 2.233 -5.863 1.00 1.11 H new ATOM 574 N LEU A 43 17.555 -1.328 -3.637 1.00 0.36 N ATOM 575 CA LEU A 43 18.389 -2.213 -2.842 1.00 0.39 C ATOM 576 C LEU A 43 17.793 -3.608 -2.798 1.00 0.39 C ATOM 577 O LEU A 43 18.508 -4.596 -2.964 1.00 0.49 O ATOM 578 CB LEU A 43 18.596 -1.654 -1.436 1.00 0.39 C ATOM 579 CG LEU A 43 19.794 -0.716 -1.311 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.668 0.406 -2.298 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.907 -0.156 0.084 1.00 0.45 C ATOM 0 H LEU A 43 16.988 -0.681 -3.090 1.00 0.36 H new ATOM 0 HA LEU A 43 19.368 -2.279 -3.316 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.696 -1.120 -1.132 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.723 -2.484 -0.741 1.00 0.39 H new ATOM 0 HG LEU A 43 20.696 -1.290 -1.522 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.526 1.072 -2.204 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.634 -0.001 -3.309 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.753 0.964 -2.100 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.770 0.508 0.141 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.003 0.402 0.326 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.031 -0.973 0.795 1.00 0.45 H new ATOM 593 N ASP A 44 16.488 -3.700 -2.586 1.00 0.32 N ATOM 594 CA ASP A 44 15.815 -4.975 -2.733 1.00 0.33 C ATOM 595 C ASP A 44 14.414 -4.808 -3.310 1.00 0.32 C ATOM 596 O ASP A 44 13.457 -4.527 -2.588 1.00 0.33 O ATOM 597 CB ASP A 44 15.755 -5.757 -1.426 1.00 0.40 C ATOM 598 CG ASP A 44 15.489 -7.229 -1.679 1.00 0.46 C ATOM 599 OD1 ASP A 44 16.450 -7.985 -1.920 1.00 1.11 O ATOM 600 OD2 ASP A 44 14.308 -7.642 -1.619 1.00 0.52 O ATOM 0 H ASP A 44 15.887 -2.921 -2.317 1.00 0.32 H new ATOM 0 HA ASP A 44 16.414 -5.553 -3.437 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.695 -5.642 -0.887 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.971 -5.347 -0.790 1.00 0.40 H new ATOM 605 N PRO A 45 14.279 -4.991 -4.633 1.00 0.41 N ATOM 606 CA PRO A 45 12.998 -4.863 -5.335 1.00 0.49 C ATOM 607 C PRO A 45 12.068 -6.037 -5.074 1.00 0.47 C ATOM 608 O PRO A 45 10.871 -5.970 -5.351 1.00 0.59 O ATOM 609 CB PRO A 45 13.410 -4.843 -6.806 1.00 0.64 C ATOM 610 CG PRO A 45 14.658 -5.650 -6.836 1.00 0.63 C ATOM 611 CD PRO A 45 15.375 -5.328 -5.557 1.00 0.52 C ATOM 0 HA PRO A 45 12.445 -3.982 -5.010 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.639 -5.275 -7.443 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.582 -3.826 -7.159 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.435 -6.715 -6.904 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.269 -5.396 -7.703 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.958 -6.176 -5.198 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.067 -4.495 -5.682 1.00 0.52 H new ATOM 619 N THR A 46 12.627 -7.118 -4.553 1.00 0.39 N ATOM 620 CA THR A 46 11.857 -8.317 -4.292 1.00 0.40 C ATOM 621 C THR A 46 11.169 -8.240 -2.935 1.00 0.40 C ATOM 622 O THR A 46 10.344 -9.091 -2.589 1.00 0.42 O ATOM 623 CB THR A 46 12.742 -9.571 -4.372 1.00 0.42 C ATOM 624 OG1 THR A 46 13.907 -9.431 -3.541 1.00 0.45 O ATOM 625 CG2 THR A 46 13.175 -9.828 -5.804 1.00 0.46 C ATOM 0 H THR A 46 13.614 -7.186 -4.303 1.00 0.39 H new ATOM 0 HA THR A 46 11.090 -8.390 -5.063 1.00 0.40 H new ATOM 0 HB THR A 46 12.152 -10.416 -4.016 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.784 -8.675 -2.930 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.801 -10.720 -5.840 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.295 -9.977 -6.429 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.741 -8.972 -6.172 1.00 0.46 H new ATOM 633 N ASN A 47 11.514 -7.218 -2.167 1.00 0.52 N ATOM 634 CA ASN A 47 10.868 -6.972 -0.893 1.00 0.56 C ATOM 635 C ASN A 47 9.674 -6.063 -1.103 1.00 0.56 C ATOM 636 O ASN A 47 9.801 -4.835 -1.123 1.00 0.89 O ATOM 637 CB ASN A 47 11.843 -6.352 0.103 1.00 0.78 C ATOM 638 CG ASN A 47 11.306 -6.355 1.519 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.502 -7.310 2.269 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.637 -5.281 1.903 1.00 1.47 N ATOM 0 H ASN A 47 12.241 -6.545 -2.408 1.00 0.52 H new ATOM 0 HA ASN A 47 10.531 -7.922 -0.479 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.785 -6.900 0.074 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.061 -5.327 -0.197 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.263 -5.225 2.850 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.495 -4.509 1.252 1.00 1.47 H new ATOM 647 N MET A 48 8.516 -6.689 -1.259 1.00 0.29 N ATOM 648 CA MET A 48 7.276 -5.995 -1.590 1.00 0.26 C ATOM 649 C MET A 48 6.992 -4.854 -0.614 1.00 0.24 C ATOM 650 O MET A 48 6.396 -3.840 -0.978 1.00 0.24 O ATOM 651 CB MET A 48 6.116 -6.996 -1.585 1.00 0.22 C ATOM 652 CG MET A 48 5.530 -7.290 -0.208 1.00 0.19 C ATOM 653 SD MET A 48 4.217 -6.147 0.262 1.00 1.05 S ATOM 654 CE MET A 48 3.092 -6.369 -1.109 1.00 0.27 C ATOM 0 H MET A 48 8.408 -7.698 -1.159 1.00 0.29 H new ATOM 0 HA MET A 48 7.382 -5.558 -2.583 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.323 -6.614 -2.228 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.460 -7.932 -2.025 1.00 0.22 H new ATOM 0 HG2 MET A 48 5.139 -8.307 -0.196 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.326 -7.245 0.536 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.066 -6.374 -0.741 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.218 -5.552 -1.819 1.00 0.27 H new ATOM 0 HE3 MET A 48 3.305 -7.316 -1.604 1.00 0.27 H new ATOM 664 N THR A 49 7.446 -5.030 0.621 1.00 0.24 N ATOM 665 CA THR A 49 7.168 -4.096 1.695 1.00 0.26 C ATOM 666 C THR A 49 7.680 -2.694 1.380 1.00 0.28 C ATOM 667 O THR A 49 7.076 -1.700 1.777 1.00 0.39 O ATOM 668 CB THR A 49 7.817 -4.585 2.995 1.00 0.29 C ATOM 669 OG1 THR A 49 7.559 -5.983 3.171 1.00 0.71 O ATOM 670 CG2 THR A 49 7.297 -3.807 4.188 1.00 0.64 C ATOM 0 H THR A 49 8.018 -5.827 0.902 1.00 0.24 H new ATOM 0 HA THR A 49 6.085 -4.046 1.808 1.00 0.26 H new ATOM 0 HB THR A 49 8.892 -4.422 2.925 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.977 -6.291 4.002 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.773 -4.174 5.097 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.526 -2.749 4.060 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.218 -3.938 4.266 1.00 0.64 H new ATOM 678 N TYR A 50 8.785 -2.611 0.653 1.00 0.23 N ATOM 679 CA TYR A 50 9.370 -1.318 0.344 1.00 0.23 C ATOM 680 C TYR A 50 8.487 -0.584 -0.638 1.00 0.26 C ATOM 681 O TYR A 50 8.180 0.593 -0.469 1.00 0.42 O ATOM 682 CB TYR A 50 10.768 -1.467 -0.247 1.00 0.21 C ATOM 683 CG TYR A 50 11.727 -2.194 0.655 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.654 -2.042 2.028 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.710 -3.025 0.136 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.534 -2.692 2.861 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.589 -3.684 0.962 1.00 0.31 C ATOM 688 CZ TYR A 50 13.486 -3.555 2.310 1.00 0.34 C ATOM 689 OH TYR A 50 14.392 -4.151 3.160 1.00 0.44 O ATOM 0 H TYR A 50 9.287 -3.413 0.271 1.00 0.23 H new ATOM 0 HA TYR A 50 9.449 -0.753 1.273 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.698 -2.000 -1.195 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.168 -0.477 -0.467 1.00 0.21 H new ATOM 0 HD1 TYR A 50 10.894 -1.403 2.452 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.785 -3.156 -0.933 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.490 -2.538 3.929 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.363 -4.306 0.538 1.00 0.31 H new ATOM 0 HH TYR A 50 14.908 -4.824 2.669 1.00 0.44 H new ATOM 699 N ILE A 51 8.050 -1.324 -1.639 1.00 0.18 N ATOM 700 CA ILE A 51 7.281 -0.782 -2.741 1.00 0.19 C ATOM 701 C ILE A 51 5.938 -0.228 -2.265 1.00 0.19 C ATOM 702 O ILE A 51 5.526 0.860 -2.667 1.00 0.22 O ATOM 703 CB ILE A 51 7.041 -1.873 -3.798 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.379 -2.452 -4.271 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.239 -1.318 -4.968 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.246 -3.692 -5.131 1.00 0.33 C ATOM 0 H ILE A 51 8.221 -2.327 -1.710 1.00 0.18 H new ATOM 0 HA ILE A 51 7.853 0.037 -3.178 1.00 0.19 H new ATOM 0 HB ILE A 51 6.460 -2.678 -3.348 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.915 -1.688 -4.834 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.988 -2.691 -3.399 1.00 0.25 H new ATOM 0 HG21 ILE A 51 6.079 -2.105 -5.705 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.276 -0.956 -4.609 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.787 -0.496 -5.428 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.237 -4.039 -5.424 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.740 -4.474 -4.566 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.666 -3.456 -6.023 1.00 0.33 H new ATOM 718 N THR A 52 5.270 -0.973 -1.394 1.00 0.20 N ATOM 719 CA THR A 52 3.963 -0.568 -0.891 1.00 0.24 C ATOM 720 C THR A 52 4.078 0.688 -0.043 1.00 0.24 C ATOM 721 O THR A 52 3.162 1.507 0.009 1.00 0.27 O ATOM 722 CB THR A 52 3.315 -1.677 -0.043 1.00 0.27 C ATOM 723 OG1 THR A 52 4.112 -1.946 1.113 1.00 0.28 O ATOM 724 CG2 THR A 52 3.162 -2.946 -0.841 1.00 0.26 C ATOM 0 H THR A 52 5.610 -1.859 -1.021 1.00 0.20 H new ATOM 0 HA THR A 52 3.336 -0.372 -1.761 1.00 0.24 H new ATOM 0 HB THR A 52 2.329 -1.329 0.263 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.059 -1.824 0.893 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.702 -3.714 -0.219 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.531 -2.756 -1.709 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.142 -3.288 -1.173 1.00 0.26 H new ATOM 732 N ASN A 53 5.208 0.830 0.624 1.00 0.25 N ATOM 733 CA ASN A 53 5.436 1.965 1.496 1.00 0.27 C ATOM 734 C ASN A 53 5.796 3.214 0.697 1.00 0.24 C ATOM 735 O ASN A 53 5.559 4.334 1.148 1.00 0.27 O ATOM 736 CB ASN A 53 6.507 1.627 2.525 1.00 0.34 C ATOM 737 CG ASN A 53 5.937 0.900 3.731 1.00 0.81 C ATOM 738 OD1 ASN A 53 4.928 0.200 3.639 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.576 1.067 4.878 1.00 1.42 N ATOM 0 H ASN A 53 5.985 0.170 0.578 1.00 0.25 H new ATOM 0 HA ASN A 53 4.511 2.186 2.028 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.273 1.008 2.059 1.00 0.34 H new ATOM 0 HB3 ASN A 53 6.995 2.545 2.854 1.00 0.34 H new ATOM 0 HD21 ASN A 53 6.235 0.608 5.723 1.00 1.42 H new ATOM 0 HD22 ASN A 53 7.409 1.654 4.917 1.00 1.42 H new ATOM 746 N GLN A 54 6.356 3.027 -0.498 1.00 0.23 N ATOM 747 CA GLN A 54 6.534 4.146 -1.421 1.00 0.25 C ATOM 748 C GLN A 54 5.160 4.615 -1.851 1.00 0.25 C ATOM 749 O GLN A 54 4.871 5.810 -1.921 1.00 0.28 O ATOM 750 CB GLN A 54 7.289 3.740 -2.684 1.00 0.27 C ATOM 751 CG GLN A 54 8.374 2.711 -2.486 1.00 0.40 C ATOM 752 CD GLN A 54 9.029 2.330 -3.788 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.410 2.362 -4.850 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.290 1.975 -3.720 1.00 1.34 N ATOM 0 H GLN A 54 6.689 2.127 -0.845 1.00 0.23 H new ATOM 0 HA GLN A 54 7.106 4.919 -0.907 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.571 3.352 -3.407 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.734 4.633 -3.124 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.126 3.103 -1.802 1.00 0.40 H new ATOM 0 HG3 GLN A 54 7.951 1.822 -2.018 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.768 1.961 -2.819 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.792 1.713 -4.568 1.00 1.34 H new ATOM 763 N ALA A 55 4.327 3.627 -2.154 1.00 0.24 N ATOM 764 CA ALA A 55 2.947 3.845 -2.542 1.00 0.25 C ATOM 765 C ALA A 55 2.207 4.626 -1.466 1.00 0.26 C ATOM 766 O ALA A 55 1.421 5.528 -1.760 1.00 0.30 O ATOM 767 CB ALA A 55 2.278 2.501 -2.789 1.00 0.24 C ATOM 0 H ALA A 55 4.597 2.644 -2.136 1.00 0.24 H new ATOM 0 HA ALA A 55 2.918 4.433 -3.459 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.240 2.660 -3.081 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.803 1.974 -3.586 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.311 1.905 -1.877 1.00 0.24 H new ATOM 773 N ALA A 56 2.485 4.271 -0.214 1.00 0.26 N ATOM 774 CA ALA A 56 1.928 4.963 0.940 1.00 0.27 C ATOM 775 C ALA A 56 2.237 6.450 0.890 1.00 0.26 C ATOM 776 O ALA A 56 1.419 7.276 1.300 1.00 0.30 O ATOM 777 CB ALA A 56 2.479 4.373 2.227 1.00 0.29 C ATOM 0 H ALA A 56 3.103 3.496 0.027 1.00 0.26 H new ATOM 0 HA ALA A 56 0.846 4.832 0.915 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.053 4.901 3.081 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.216 3.317 2.285 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.564 4.478 2.240 1.00 0.29 H new ATOM 783 N VAL A 57 3.420 6.791 0.391 1.00 0.26 N ATOM 784 CA VAL A 57 3.798 8.184 0.270 1.00 0.27 C ATOM 785 C VAL A 57 2.940 8.872 -0.773 1.00 0.26 C ATOM 786 O VAL A 57 2.423 9.949 -0.527 1.00 0.30 O ATOM 787 CB VAL A 57 5.277 8.386 -0.097 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.625 9.855 -0.007 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.177 7.565 0.800 1.00 0.30 C ATOM 0 H VAL A 57 4.123 6.126 0.068 1.00 0.26 H new ATOM 0 HA VAL A 57 3.640 8.624 1.255 1.00 0.27 H new ATOM 0 HB VAL A 57 5.434 8.045 -1.120 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.674 9.997 -0.267 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.000 10.420 -0.698 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.453 10.208 1.010 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.217 7.727 0.518 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.031 7.867 1.837 1.00 0.30 H new ATOM 0 HG23 VAL A 57 5.932 6.508 0.692 1.00 0.30 H new ATOM 799 N TYR A 58 2.784 8.239 -1.932 1.00 0.25 N ATOM 800 CA TYR A 58 1.935 8.781 -2.992 1.00 0.27 C ATOM 801 C TYR A 58 0.530 9.027 -2.477 1.00 0.28 C ATOM 802 O TYR A 58 -0.104 10.015 -2.833 1.00 0.29 O ATOM 803 CB TYR A 58 1.873 7.823 -4.174 1.00 0.27 C ATOM 804 CG TYR A 58 3.103 7.839 -5.038 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.315 8.848 -5.961 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.052 6.839 -4.929 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.444 8.863 -6.752 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.182 6.840 -5.715 1.00 0.30 C ATOM 809 CZ TYR A 58 5.369 7.880 -6.639 1.00 0.33 C ATOM 810 OH TYR A 58 6.504 7.866 -7.416 1.00 0.37 O ATOM 0 H TYR A 58 3.232 7.352 -2.162 1.00 0.25 H new ATOM 0 HA TYR A 58 2.371 9.726 -3.317 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.717 6.811 -3.801 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.007 8.074 -4.787 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.584 9.637 -6.063 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.904 6.043 -4.214 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.591 9.661 -7.464 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.914 6.052 -5.622 1.00 0.30 H new ATOM 0 HH TYR A 58 7.046 7.082 -7.189 1.00 0.37 H new ATOM 820 N PHE A 59 0.062 8.119 -1.639 1.00 0.30 N ATOM 821 CA PHE A 59 -1.225 8.259 -0.983 1.00 0.32 C ATOM 822 C PHE A 59 -1.277 9.581 -0.214 1.00 0.35 C ATOM 823 O PHE A 59 -2.232 10.349 -0.333 1.00 0.42 O ATOM 824 CB PHE A 59 -1.434 7.078 -0.044 1.00 0.33 C ATOM 825 CG PHE A 59 -2.823 6.971 0.509 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.210 7.755 1.580 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.738 6.086 -0.037 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.482 7.661 2.097 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.013 5.987 0.476 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.397 6.771 1.515 1.00 0.47 C ATOM 0 H PHE A 59 0.563 7.265 -1.395 1.00 0.30 H new ATOM 0 HA PHE A 59 -2.022 8.268 -1.726 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.195 6.158 -0.577 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.730 7.158 0.785 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.506 8.449 2.016 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.449 5.467 -0.874 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.773 8.267 2.943 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.711 5.282 0.049 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.407 6.710 1.894 1.00 0.47 H new ATOM 840 N GLU A 60 -0.225 9.841 0.547 1.00 0.34 N ATOM 841 CA GLU A 60 -0.091 11.084 1.299 1.00 0.37 C ATOM 842 C GLU A 60 0.186 12.266 0.365 1.00 0.35 C ATOM 843 O GLU A 60 -0.124 13.414 0.685 1.00 0.41 O ATOM 844 CB GLU A 60 1.039 10.936 2.312 1.00 0.39 C ATOM 845 CG GLU A 60 0.729 9.959 3.435 1.00 0.44 C ATOM 846 CD GLU A 60 -0.408 10.424 4.321 1.00 0.91 C ATOM 847 OE1 GLU A 60 -0.190 11.346 5.135 1.00 1.42 O ATOM 848 OE2 GLU A 60 -1.522 9.870 4.220 1.00 1.07 O ATOM 0 H GLU A 60 0.560 9.199 0.662 1.00 0.34 H new ATOM 0 HA GLU A 60 -1.028 11.284 1.819 1.00 0.37 H new ATOM 0 HB2 GLU A 60 1.939 10.606 1.793 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.259 11.913 2.743 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.476 8.989 3.007 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.622 9.816 4.043 1.00 0.44 H new ATOM 855 N LYS A 61 0.770 11.968 -0.790 1.00 0.32 N ATOM 856 CA LYS A 61 1.119 12.986 -1.776 1.00 0.33 C ATOM 857 C LYS A 61 -0.113 13.464 -2.544 1.00 0.35 C ATOM 858 O LYS A 61 -0.114 14.555 -3.119 1.00 0.40 O ATOM 859 CB LYS A 61 2.154 12.443 -2.766 1.00 0.33 C ATOM 860 CG LYS A 61 3.519 12.182 -2.149 1.00 0.48 C ATOM 861 CD LYS A 61 4.640 12.355 -3.161 1.00 0.49 C ATOM 862 CE LYS A 61 4.495 11.427 -4.356 1.00 0.36 C ATOM 863 NZ LYS A 61 5.592 11.641 -5.336 1.00 1.10 N ATOM 0 H LYS A 61 1.014 11.018 -1.069 1.00 0.32 H new ATOM 0 HA LYS A 61 1.542 13.832 -1.234 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.778 11.515 -3.198 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.266 13.153 -3.585 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.676 12.864 -1.313 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.547 11.170 -1.745 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.656 13.388 -3.508 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.597 12.168 -2.674 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.502 10.391 -4.018 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.533 11.599 -4.839 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.569 10.888 -6.053 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.469 12.564 -5.799 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.507 11.621 -4.843 1.00 1.10 H new ATOM 877 N GLY A 62 -1.150 12.637 -2.563 1.00 0.34 N ATOM 878 CA GLY A 62 -2.350 12.961 -3.312 1.00 0.36 C ATOM 879 C GLY A 62 -2.465 12.134 -4.577 1.00 0.33 C ATOM 880 O GLY A 62 -3.440 12.246 -5.324 1.00 0.35 O ATOM 0 H GLY A 62 -1.182 11.744 -2.071 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.226 12.791 -2.686 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.343 14.020 -3.570 1.00 0.36 H new ATOM 884 N ASP A 63 -1.466 11.295 -4.809 1.00 0.31 N ATOM 885 CA ASP A 63 -1.432 10.425 -5.978 1.00 0.30 C ATOM 886 C ASP A 63 -1.967 9.046 -5.624 1.00 0.27 C ATOM 887 O ASP A 63 -1.206 8.092 -5.446 1.00 0.32 O ATOM 888 CB ASP A 63 -0.007 10.319 -6.525 1.00 0.32 C ATOM 889 CG ASP A 63 0.330 11.429 -7.499 1.00 0.84 C ATOM 890 OD1 ASP A 63 -0.010 11.301 -8.698 1.00 1.26 O ATOM 891 OD2 ASP A 63 0.941 12.433 -7.077 1.00 1.26 O ATOM 0 H ASP A 63 -0.658 11.197 -4.195 1.00 0.31 H new ATOM 0 HA ASP A 63 -2.067 10.858 -6.751 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.699 10.343 -5.695 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.117 9.356 -7.021 1.00 0.32 H new ATOM 896 N TYR A 64 -3.286 8.946 -5.526 1.00 0.27 N ATOM 897 CA TYR A 64 -3.931 7.716 -5.090 1.00 0.28 C ATOM 898 C TYR A 64 -3.802 6.627 -6.149 1.00 0.29 C ATOM 899 O TYR A 64 -3.749 5.440 -5.830 1.00 0.34 O ATOM 900 CB TYR A 64 -5.403 7.981 -4.740 1.00 0.29 C ATOM 901 CG TYR A 64 -5.560 8.996 -3.628 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.286 8.654 -2.307 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.952 10.300 -3.898 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.401 9.582 -1.292 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.067 11.235 -2.886 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.788 10.871 -1.585 1.00 0.38 C ATOM 907 OH TYR A 64 -5.899 11.800 -0.572 1.00 0.43 O ATOM 0 H TYR A 64 -3.932 9.705 -5.744 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.426 7.361 -4.192 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.926 8.336 -5.628 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.877 7.045 -4.443 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.978 7.646 -2.072 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.171 10.589 -4.915 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.188 9.299 -0.272 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.374 12.245 -3.113 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.181 12.661 -0.947 1.00 0.43 H new ATOM 917 N ASN A 65 -3.709 7.034 -7.408 1.00 0.31 N ATOM 918 CA ASN A 65 -3.556 6.077 -8.496 1.00 0.37 C ATOM 919 C ASN A 65 -2.197 5.398 -8.438 1.00 0.33 C ATOM 920 O ASN A 65 -2.092 4.189 -8.643 1.00 0.34 O ATOM 921 CB ASN A 65 -3.746 6.749 -9.853 1.00 0.47 C ATOM 922 CG ASN A 65 -5.190 7.101 -10.127 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.648 8.196 -9.800 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.918 6.175 -10.730 1.00 2.18 N ATOM 0 H ASN A 65 -3.736 8.011 -7.700 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.330 5.319 -8.374 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -3.140 7.654 -9.894 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.382 6.086 -10.638 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.899 6.355 -10.941 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.498 5.281 -10.983 1.00 2.18 H new ATOM 931 N LYS A 66 -1.159 6.171 -8.136 1.00 0.34 N ATOM 932 CA LYS A 66 0.189 5.624 -8.053 1.00 0.32 C ATOM 933 C LYS A 66 0.327 4.732 -6.827 1.00 0.31 C ATOM 934 O LYS A 66 1.092 3.766 -6.835 1.00 0.32 O ATOM 935 CB LYS A 66 1.240 6.724 -7.989 1.00 0.29 C ATOM 936 CG LYS A 66 2.659 6.197 -8.121 1.00 0.40 C ATOM 937 CD LYS A 66 2.913 5.532 -9.462 1.00 0.63 C ATOM 938 CE LYS A 66 4.354 5.059 -9.568 1.00 0.42 C ATOM 939 NZ LYS A 66 4.659 4.469 -10.897 1.00 0.68 N ATOM 0 H LYS A 66 -1.225 7.171 -7.946 1.00 0.34 H new ATOM 0 HA LYS A 66 0.354 5.038 -8.957 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.051 7.446 -8.783 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.143 7.257 -7.043 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.362 7.020 -7.989 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.852 5.481 -7.322 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.238 4.685 -9.586 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.696 6.234 -10.267 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.024 5.899 -9.384 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.549 4.319 -8.791 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.690 4.412 -11.023 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.249 3.515 -10.956 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.252 5.067 -11.644 1.00 0.68 H new ATOM 953 N CYS A 67 -0.404 5.065 -5.771 1.00 0.31 N ATOM 954 CA CYS A 67 -0.415 4.235 -4.581 1.00 0.32 C ATOM 955 C CYS A 67 -0.933 2.845 -4.937 1.00 0.36 C ATOM 956 O CYS A 67 -0.319 1.835 -4.593 1.00 0.39 O ATOM 957 CB CYS A 67 -1.268 4.871 -3.481 1.00 0.33 C ATOM 958 SG CYS A 67 -1.494 3.833 -2.019 1.00 1.29 S ATOM 0 H CYS A 67 -0.991 5.897 -5.717 1.00 0.31 H new ATOM 0 HA CYS A 67 0.602 4.148 -4.198 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.806 5.810 -3.177 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.247 5.116 -3.893 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.764 3.658 -1.803 1.00 1.29 H new ATOM 964 N ARG A 68 -2.050 2.803 -5.659 1.00 0.38 N ATOM 965 CA ARG A 68 -2.571 1.547 -6.183 1.00 0.45 C ATOM 966 C ARG A 68 -1.546 0.899 -7.108 1.00 0.42 C ATOM 967 O ARG A 68 -1.296 -0.307 -7.027 1.00 0.48 O ATOM 968 CB ARG A 68 -3.899 1.786 -6.923 1.00 0.60 C ATOM 969 CG ARG A 68 -4.363 0.607 -7.775 1.00 1.00 C ATOM 970 CD ARG A 68 -3.844 0.708 -9.202 1.00 1.21 C ATOM 971 NE ARG A 68 -3.894 -0.575 -9.901 1.00 1.92 N ATOM 972 CZ ARG A 68 -3.771 -0.713 -11.219 1.00 2.48 C ATOM 973 NH1 ARG A 68 -3.670 0.359 -11.998 1.00 2.64 N ATOM 974 NH2 ARG A 68 -3.760 -1.927 -11.759 1.00 3.39 N ATOM 0 H ARG A 68 -2.609 3.623 -5.893 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.762 0.870 -5.351 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.673 2.018 -6.191 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.793 2.662 -7.563 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.018 -0.325 -7.327 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.452 0.571 -7.785 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.435 1.442 -9.750 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -2.817 1.072 -9.188 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.032 -1.418 -9.343 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -3.687 1.292 -11.586 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -3.576 0.249 -13.008 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -3.846 -2.751 -11.164 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -3.666 -2.035 -12.769 1.00 3.39 H new ATOM 988 N GLU A 69 -0.961 1.721 -7.976 1.00 0.38 N ATOM 989 CA GLU A 69 0.028 1.273 -8.952 1.00 0.37 C ATOM 990 C GLU A 69 1.125 0.443 -8.291 1.00 0.31 C ATOM 991 O GLU A 69 1.361 -0.710 -8.659 1.00 0.34 O ATOM 992 CB GLU A 69 0.651 2.494 -9.643 1.00 0.38 C ATOM 993 CG GLU A 69 1.641 2.143 -10.739 1.00 0.67 C ATOM 994 CD GLU A 69 0.982 1.458 -11.917 1.00 1.20 C ATOM 995 OE1 GLU A 69 0.436 2.160 -12.789 1.00 1.19 O ATOM 996 OE2 GLU A 69 1.008 0.211 -11.968 1.00 2.08 O ATOM 0 H GLU A 69 -1.161 2.720 -8.022 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.476 0.644 -9.686 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.146 3.104 -10.069 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.155 3.105 -8.894 1.00 0.38 H new ATOM 0 HG2 GLU A 69 2.136 3.052 -11.082 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.415 1.493 -10.331 1.00 0.67 H new ATOM 1003 N LEU A 70 1.770 1.030 -7.296 1.00 0.24 N ATOM 1004 CA LEU A 70 2.910 0.401 -6.652 1.00 0.21 C ATOM 1005 C LEU A 70 2.492 -0.738 -5.731 1.00 0.22 C ATOM 1006 O LEU A 70 3.184 -1.748 -5.652 1.00 0.23 O ATOM 1007 CB LEU A 70 3.714 1.440 -5.880 1.00 0.20 C ATOM 1008 CG LEU A 70 4.438 2.468 -6.744 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.096 3.515 -5.870 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.472 1.790 -7.631 1.00 0.24 C ATOM 0 H LEU A 70 1.522 1.944 -6.916 1.00 0.24 H new ATOM 0 HA LEU A 70 3.534 -0.030 -7.435 1.00 0.21 H new ATOM 0 HB2 LEU A 70 3.042 1.966 -5.202 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.450 0.923 -5.263 1.00 0.20 H new ATOM 0 HG LEU A 70 3.706 2.958 -7.386 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.609 4.243 -6.498 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.336 4.021 -5.274 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.816 3.035 -5.207 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.977 2.540 -8.239 1.00 0.24 H new ATOM 0 HD22 LEU A 70 6.203 1.275 -7.009 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.977 1.069 -8.281 1.00 0.24 H new ATOM 1022 N CYS A 71 1.368 -0.593 -5.039 1.00 0.24 N ATOM 1023 CA CYS A 71 0.914 -1.640 -4.129 1.00 0.25 C ATOM 1024 C CYS A 71 0.626 -2.932 -4.884 1.00 0.24 C ATOM 1025 O CYS A 71 1.073 -3.996 -4.476 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.316 -1.205 -3.340 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.020 0.154 -2.189 1.00 1.10 S ATOM 0 H CYS A 71 0.762 0.226 -5.088 1.00 0.24 H new ATOM 0 HA CYS A 71 1.721 -1.823 -3.420 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.096 -0.908 -4.041 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.697 -2.061 -2.783 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.237 1.286 -2.790 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.102 -2.831 -5.991 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.408 -3.997 -6.817 1.00 0.26 C ATOM 1035 C GLU A 72 0.872 -4.629 -7.357 1.00 0.23 C ATOM 1036 O GLU A 72 0.995 -5.852 -7.414 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.310 -3.585 -7.971 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.654 -4.285 -7.983 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.550 -3.779 -9.091 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -3.362 -4.197 -10.254 1.00 1.68 O ATOM 1041 OE2 GLU A 72 -4.429 -2.939 -8.817 1.00 2.09 O ATOM 0 H GLU A 72 -0.492 -1.955 -6.338 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.921 -4.735 -6.200 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.473 -2.508 -7.925 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -0.797 -3.790 -8.911 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.502 -5.358 -8.102 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.148 -4.137 -7.022 1.00 0.87 H new ATOM 1048 N LYS A 73 1.824 -3.783 -7.739 1.00 0.23 N ATOM 1049 CA LYS A 73 3.120 -4.243 -8.223 1.00 0.23 C ATOM 1050 C LYS A 73 3.857 -4.981 -7.116 1.00 0.20 C ATOM 1051 O LYS A 73 4.375 -6.077 -7.322 1.00 0.21 O ATOM 1052 CB LYS A 73 3.960 -3.054 -8.713 1.00 0.27 C ATOM 1053 CG LYS A 73 5.417 -3.384 -9.050 1.00 0.33 C ATOM 1054 CD LYS A 73 5.590 -3.991 -10.442 1.00 0.57 C ATOM 1055 CE LYS A 73 5.196 -5.460 -10.497 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.353 -6.023 -11.863 1.00 1.23 N ATOM 0 H LYS A 73 1.720 -2.768 -7.722 1.00 0.23 H new ATOM 0 HA LYS A 73 2.959 -4.924 -9.058 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.484 -2.634 -9.599 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.947 -2.279 -7.946 1.00 0.27 H new ATOM 0 HG2 LYS A 73 6.014 -2.475 -8.980 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.807 -4.079 -8.306 1.00 0.33 H new ATOM 0 HD2 LYS A 73 4.986 -3.430 -11.156 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.630 -3.886 -10.753 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.810 -6.027 -9.797 1.00 0.60 H new ATOM 0 HE3 LYS A 73 4.161 -5.571 -10.175 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 5.107 -7.033 -11.852 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.723 -5.520 -12.520 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.339 -5.910 -12.174 1.00 1.23 H new ATOM 1070 N ALA A 74 3.887 -4.372 -5.939 1.00 0.19 N ATOM 1071 CA ALA A 74 4.509 -4.978 -4.774 1.00 0.17 C ATOM 1072 C ALA A 74 3.835 -6.286 -4.430 1.00 0.16 C ATOM 1073 O ALA A 74 4.494 -7.263 -4.112 1.00 0.16 O ATOM 1074 CB ALA A 74 4.438 -4.041 -3.589 1.00 0.18 C ATOM 0 H ALA A 74 3.484 -3.451 -5.767 1.00 0.19 H new ATOM 0 HA ALA A 74 5.555 -5.172 -5.012 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.908 -4.511 -2.725 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.959 -3.114 -3.827 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.395 -3.822 -3.360 1.00 0.18 H new ATOM 1080 N ILE A 75 2.515 -6.292 -4.485 1.00 0.16 N ATOM 1081 CA ILE A 75 1.746 -7.494 -4.227 1.00 0.16 C ATOM 1082 C ILE A 75 2.106 -8.573 -5.230 1.00 0.17 C ATOM 1083 O ILE A 75 2.306 -9.725 -4.863 1.00 0.18 O ATOM 1084 CB ILE A 75 0.234 -7.211 -4.278 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.169 -6.336 -3.098 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.565 -8.502 -4.280 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.652 -6.083 -3.016 1.00 0.23 C ATOM 0 H ILE A 75 1.951 -5.472 -4.708 1.00 0.16 H new ATOM 0 HA ILE A 75 1.993 -7.841 -3.223 1.00 0.16 H new ATOM 0 HB ILE A 75 0.014 -6.682 -5.205 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.162 -6.810 -2.174 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.351 -5.381 -3.170 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.630 -8.271 -4.316 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.293 -9.097 -5.152 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.347 -9.066 -3.373 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.866 -5.453 -2.152 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.986 -5.580 -3.924 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.178 -7.032 -2.912 1.00 0.23 H new ATOM 1099 N GLU A 76 2.207 -8.182 -6.490 1.00 0.18 N ATOM 1100 CA GLU A 76 2.612 -9.099 -7.543 1.00 0.21 C ATOM 1101 C GLU A 76 3.998 -9.669 -7.233 1.00 0.20 C ATOM 1102 O GLU A 76 4.221 -10.875 -7.317 1.00 0.24 O ATOM 1103 CB GLU A 76 2.627 -8.359 -8.878 1.00 0.24 C ATOM 1104 CG GLU A 76 2.764 -9.262 -10.089 1.00 0.77 C ATOM 1105 CD GLU A 76 2.806 -8.475 -11.377 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.730 -8.058 -11.857 1.00 1.62 O ATOM 1107 OE2 GLU A 76 3.910 -8.285 -11.932 1.00 2.35 O ATOM 0 H GLU A 76 2.013 -7.233 -6.809 1.00 0.18 H new ATOM 0 HA GLU A 76 1.904 -9.925 -7.601 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.707 -7.782 -8.971 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.451 -7.646 -8.876 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.673 -9.857 -9.997 1.00 0.77 H new ATOM 0 HG3 GLU A 76 1.928 -9.960 -10.117 1.00 0.77 H new ATOM 1114 N VAL A 77 4.904 -8.780 -6.847 1.00 0.21 N ATOM 1115 CA VAL A 77 6.272 -9.137 -6.477 1.00 0.22 C ATOM 1116 C VAL A 77 6.314 -10.037 -5.243 1.00 0.21 C ATOM 1117 O VAL A 77 7.009 -11.048 -5.222 1.00 0.24 O ATOM 1118 CB VAL A 77 7.091 -7.853 -6.200 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.386 -8.155 -5.466 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.376 -7.107 -7.491 1.00 0.25 C ATOM 0 H VAL A 77 4.710 -7.781 -6.781 1.00 0.21 H new ATOM 0 HA VAL A 77 6.704 -9.689 -7.312 1.00 0.22 H new ATOM 0 HB VAL A 77 6.486 -7.217 -5.554 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.930 -7.227 -5.291 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.161 -8.629 -4.511 1.00 0.22 H new ATOM 0 HG13 VAL A 77 8.998 -8.826 -6.069 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.953 -6.208 -7.272 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.945 -7.748 -8.164 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.435 -6.828 -7.965 1.00 0.25 H new ATOM 1130 N GLY A 78 5.568 -9.664 -4.218 1.00 0.19 N ATOM 1131 CA GLY A 78 5.591 -10.401 -2.974 1.00 0.21 C ATOM 1132 C GLY A 78 4.896 -11.735 -3.091 1.00 0.21 C ATOM 1133 O GLY A 78 5.360 -12.733 -2.552 1.00 0.27 O ATOM 0 H GLY A 78 4.943 -8.858 -4.225 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.625 -10.557 -2.665 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.111 -9.810 -2.194 1.00 0.21 H new ATOM 1137 N ARG A 79 3.789 -11.754 -3.809 1.00 0.21 N ATOM 1138 CA ARG A 79 3.045 -12.982 -4.032 1.00 0.28 C ATOM 1139 C ARG A 79 3.878 -13.920 -4.898 1.00 0.28 C ATOM 1140 O ARG A 79 3.759 -15.144 -4.819 1.00 0.33 O ATOM 1141 CB ARG A 79 1.708 -12.652 -4.692 1.00 0.39 C ATOM 1142 CG ARG A 79 0.587 -13.603 -4.329 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.760 -12.973 -4.627 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.871 -13.807 -4.182 1.00 1.57 N ATOM 1145 CZ ARG A 79 -3.149 -13.543 -4.444 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.478 -12.497 -5.195 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -4.100 -14.328 -3.962 1.00 2.63 N ATOM 0 H ARG A 79 3.382 -10.929 -4.250 1.00 0.21 H new ATOM 0 HA ARG A 79 2.840 -13.481 -3.085 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.417 -11.640 -4.411 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.838 -12.657 -5.774 1.00 0.39 H new ATOM 0 HG2 ARG A 79 0.693 -14.531 -4.890 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.649 -13.861 -3.272 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.820 -12.001 -4.138 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.847 -12.797 -5.699 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.656 -14.642 -3.638 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.750 -11.892 -5.574 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.459 -12.299 -5.393 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.853 -15.135 -3.390 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -5.079 -14.125 -4.163 1.00 2.63 H new ATOM 1161 N GLU A 80 4.734 -13.317 -5.715 1.00 0.27 N ATOM 1162 CA GLU A 80 5.709 -14.044 -6.510 1.00 0.32 C ATOM 1163 C GLU A 80 6.823 -14.591 -5.612 1.00 0.31 C ATOM 1164 O GLU A 80 7.096 -15.791 -5.597 1.00 0.37 O ATOM 1165 CB GLU A 80 6.295 -13.101 -7.571 1.00 0.36 C ATOM 1166 CG GLU A 80 7.398 -13.711 -8.413 1.00 0.57 C ATOM 1167 CD GLU A 80 7.783 -12.837 -9.589 1.00 1.18 C ATOM 1168 OE1 GLU A 80 7.183 -12.987 -10.675 1.00 1.22 O ATOM 1169 OE2 GLU A 80 8.680 -11.983 -9.429 1.00 1.96 O ATOM 0 H GLU A 80 4.769 -12.306 -5.843 1.00 0.27 H new ATOM 0 HA GLU A 80 5.222 -14.886 -7.002 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.492 -12.772 -8.230 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.684 -12.212 -7.074 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.275 -13.881 -7.789 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.074 -14.685 -8.779 1.00 0.57 H new ATOM 1176 N ASN A 81 7.419 -13.700 -4.830 1.00 0.29 N ATOM 1177 CA ASN A 81 8.577 -14.028 -4.001 1.00 0.35 C ATOM 1178 C ASN A 81 8.164 -14.469 -2.601 1.00 0.35 C ATOM 1179 O ASN A 81 8.913 -14.291 -1.644 1.00 0.49 O ATOM 1180 CB ASN A 81 9.514 -12.825 -3.922 1.00 0.40 C ATOM 1181 CG ASN A 81 10.882 -13.163 -3.357 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.389 -14.276 -3.526 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.488 -12.206 -2.671 1.00 1.13 N ATOM 0 H ASN A 81 7.115 -12.729 -4.751 1.00 0.29 H new ATOM 0 HA ASN A 81 9.097 -14.865 -4.467 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.635 -12.402 -4.919 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.053 -12.055 -3.303 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.406 -12.376 -2.261 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.037 -11.299 -2.553 1.00 1.13 H new ATOM 1190 N ARG A 82 6.951 -15.011 -2.493 1.00 0.32 N ATOM 1191 CA ARG A 82 6.441 -15.628 -1.259 1.00 0.37 C ATOM 1192 C ARG A 82 6.655 -14.745 -0.021 1.00 0.32 C ATOM 1193 O ARG A 82 6.906 -15.227 1.082 1.00 0.38 O ATOM 1194 CB ARG A 82 6.993 -17.065 -1.091 1.00 0.47 C ATOM 1195 CG ARG A 82 8.509 -17.223 -1.122 1.00 1.04 C ATOM 1196 CD ARG A 82 9.161 -16.699 0.138 1.00 1.99 C ATOM 1197 NE ARG A 82 10.620 -16.796 0.083 1.00 2.83 N ATOM 1198 CZ ARG A 82 11.452 -15.870 0.560 1.00 3.77 C ATOM 1199 NH1 ARG A 82 10.975 -14.768 1.129 1.00 4.01 N ATOM 1200 NH2 ARG A 82 12.762 -16.048 0.464 1.00 4.67 N ATOM 0 H ARG A 82 6.285 -15.037 -3.265 1.00 0.32 H new ATOM 0 HA ARG A 82 5.359 -15.713 -1.356 1.00 0.37 H new ATOM 0 HB2 ARG A 82 6.629 -17.461 -0.143 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.570 -17.687 -1.880 1.00 0.47 H new ATOM 0 HG2 ARG A 82 8.761 -18.276 -1.249 1.00 1.04 H new ATOM 0 HG3 ARG A 82 8.911 -16.693 -1.985 1.00 1.04 H new ATOM 0 HD2 ARG A 82 8.873 -15.659 0.289 1.00 1.99 H new ATOM 0 HD3 ARG A 82 8.793 -17.260 0.997 1.00 1.99 H new ATOM 0 HE ARG A 82 11.027 -17.626 -0.348 1.00 2.83 H new ATOM 0 HH11 ARG A 82 9.967 -14.627 1.203 1.00 4.01 H new ATOM 0 HH12 ARG A 82 11.616 -14.063 1.492 1.00 4.01 H new ATOM 0 HH21 ARG A 82 13.131 -16.892 0.026 1.00 4.67 H new ATOM 0 HH22 ARG A 82 13.401 -15.341 0.828 1.00 4.67 H new ATOM 1214 N GLU A 83 6.491 -13.447 -0.224 1.00 0.27 N ATOM 1215 CA GLU A 83 6.689 -12.451 0.820 1.00 0.27 C ATOM 1216 C GLU A 83 5.492 -12.429 1.776 1.00 0.25 C ATOM 1217 O GLU A 83 4.441 -13.000 1.476 1.00 0.25 O ATOM 1218 CB GLU A 83 6.891 -11.077 0.164 1.00 0.28 C ATOM 1219 CG GLU A 83 7.235 -9.951 1.130 1.00 0.43 C ATOM 1220 CD GLU A 83 8.422 -10.272 2.012 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.568 -10.165 1.531 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.218 -10.644 3.183 1.00 1.60 O ATOM 0 H GLU A 83 6.215 -13.052 -1.123 1.00 0.27 H new ATOM 0 HA GLU A 83 7.573 -12.704 1.405 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.687 -11.157 -0.576 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.981 -10.810 -0.374 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.445 -9.044 0.563 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.369 -9.741 1.758 1.00 0.43 H new ATOM 1229 N ASP A 84 5.678 -11.778 2.922 1.00 0.26 N ATOM 1230 CA ASP A 84 4.639 -11.639 3.943 1.00 0.26 C ATOM 1231 C ASP A 84 3.329 -11.125 3.343 1.00 0.25 C ATOM 1232 O ASP A 84 3.226 -9.964 2.939 1.00 0.26 O ATOM 1233 CB ASP A 84 5.127 -10.690 5.042 1.00 0.29 C ATOM 1234 CG ASP A 84 4.090 -10.429 6.116 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.929 -11.280 7.010 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.412 -9.380 6.059 1.00 0.68 O ATOM 0 H ASP A 84 6.559 -11.329 3.171 1.00 0.26 H new ATOM 0 HA ASP A 84 4.442 -12.623 4.369 1.00 0.26 H new ATOM 0 HB2 ASP A 84 6.020 -11.110 5.504 1.00 0.29 H new ATOM 0 HB3 ASP A 84 5.418 -9.742 4.590 1.00 0.29 H new ATOM 1241 N TYR A 85 2.331 -12.003 3.290 1.00 0.26 N ATOM 1242 CA TYR A 85 1.029 -11.664 2.720 1.00 0.26 C ATOM 1243 C TYR A 85 0.290 -10.661 3.598 1.00 0.27 C ATOM 1244 O TYR A 85 -0.677 -10.037 3.165 1.00 0.26 O ATOM 1245 CB TYR A 85 0.176 -12.923 2.536 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.022 -13.706 3.815 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -0.833 -13.219 4.830 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.613 -14.922 4.009 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.004 -13.919 6.004 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.445 -15.635 5.180 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.363 -15.128 6.177 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.526 -15.833 7.348 1.00 0.44 O ATOM 0 H TYR A 85 2.399 -12.960 3.637 1.00 0.26 H new ATOM 0 HA TYR A 85 1.203 -11.208 1.745 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.798 -12.638 2.139 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.647 -13.567 1.794 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.339 -12.274 4.697 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.250 -15.319 3.232 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -1.637 -13.523 6.785 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.943 -16.584 5.314 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.006 -16.663 7.305 1.00 0.44 H new ATOM 1262 N ARG A 86 0.738 -10.519 4.839 1.00 0.30 N ATOM 1263 CA ARG A 86 0.130 -9.569 5.750 1.00 0.33 C ATOM 1264 C ARG A 86 0.356 -8.159 5.229 1.00 0.32 C ATOM 1265 O ARG A 86 -0.542 -7.319 5.287 1.00 0.32 O ATOM 1266 CB ARG A 86 0.700 -9.713 7.147 1.00 0.40 C ATOM 1267 CG ARG A 86 0.634 -11.124 7.683 1.00 0.44 C ATOM 1268 CD ARG A 86 1.057 -11.150 9.127 1.00 0.55 C ATOM 1269 NE ARG A 86 2.421 -10.649 9.297 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.851 -9.991 10.374 1.00 1.98 C ATOM 1271 NH1 ARG A 86 2.039 -9.785 11.406 1.00 1.57 N ATOM 1272 NH2 ARG A 86 4.100 -9.543 10.419 1.00 3.04 N ATOM 0 H ARG A 86 1.516 -11.048 5.232 1.00 0.30 H new ATOM 0 HA ARG A 86 -0.940 -9.770 5.806 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.739 -9.383 7.143 1.00 0.40 H new ATOM 0 HB3 ARG A 86 0.158 -9.051 7.822 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.380 -11.511 7.586 1.00 0.44 H new ATOM 0 HG3 ARG A 86 1.281 -11.775 7.095 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.370 -10.545 9.719 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.993 -12.169 9.507 1.00 0.55 H new ATOM 0 HE ARG A 86 3.087 -10.814 8.542 1.00 1.57 H new ATOM 0 HH11 ARG A 86 1.080 -10.131 11.377 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.375 -9.281 12.227 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.728 -9.703 9.631 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.432 -9.039 11.242 1.00 3.04 H new ATOM 1286 N GLN A 87 1.561 -7.916 4.708 1.00 0.33 N ATOM 1287 CA GLN A 87 1.873 -6.652 4.050 1.00 0.33 C ATOM 1288 C GLN A 87 1.052 -6.520 2.780 1.00 0.28 C ATOM 1289 O GLN A 87 0.588 -5.439 2.443 1.00 0.28 O ATOM 1290 CB GLN A 87 3.361 -6.545 3.696 1.00 0.39 C ATOM 1291 CG GLN A 87 4.307 -6.659 4.878 1.00 0.49 C ATOM 1292 CD GLN A 87 3.858 -5.852 6.078 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.172 -4.669 6.202 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.143 -6.500 6.982 1.00 1.46 N ATOM 0 H GLN A 87 2.335 -8.580 4.731 1.00 0.33 H new ATOM 0 HA GLN A 87 1.629 -5.850 4.747 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.606 -7.326 2.976 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.534 -5.590 3.201 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.396 -7.707 5.165 1.00 0.49 H new ATOM 0 HG3 GLN A 87 5.300 -6.326 4.575 1.00 0.49 H new ATOM 0 HE21 GLN A 87 2.906 -7.481 6.837 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.828 -6.018 7.824 1.00 1.46 H new ATOM 1303 N ILE A 88 0.880 -7.638 2.084 1.00 0.25 N ATOM 1304 CA ILE A 88 0.063 -7.684 0.879 1.00 0.22 C ATOM 1305 C ILE A 88 -1.365 -7.239 1.165 1.00 0.20 C ATOM 1306 O ILE A 88 -1.954 -6.488 0.394 1.00 0.20 O ATOM 1307 CB ILE A 88 0.074 -9.098 0.254 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.338 -9.275 -0.570 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.153 -9.344 -0.602 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.503 -10.638 -1.185 1.00 0.23 C ATOM 0 H ILE A 88 1.300 -8.532 2.338 1.00 0.25 H new ATOM 0 HA ILE A 88 0.498 -6.989 0.161 1.00 0.22 H new ATOM 0 HB ILE A 88 0.056 -9.829 1.062 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.344 -8.530 -1.365 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.200 -9.071 0.065 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.107 -10.348 -1.023 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.049 -9.248 0.011 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.185 -8.613 -1.410 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.432 -10.670 -1.754 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.533 -11.391 -0.398 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.663 -10.841 -1.850 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.909 -7.687 2.282 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.248 -7.292 2.687 1.00 0.21 C ATOM 1324 C ALA A 89 -3.303 -5.804 2.996 1.00 0.22 C ATOM 1325 O ALA A 89 -4.294 -5.139 2.714 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.685 -8.096 3.890 1.00 0.24 C ATOM 0 H ALA A 89 -1.444 -8.326 2.927 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.931 -7.492 1.861 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.689 -7.792 4.185 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.686 -9.156 3.638 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -2.995 -7.920 4.715 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.229 -5.280 3.571 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.152 -3.857 3.860 1.00 0.27 C ATOM 1334 C LYS A 90 -1.927 -3.086 2.565 1.00 0.24 C ATOM 1335 O LYS A 90 -2.336 -1.934 2.434 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.037 -3.561 4.865 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.128 -4.382 6.149 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.505 -4.290 6.799 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.850 -2.865 7.212 1.00 0.67 C ATOM 1340 NZ LYS A 90 -1.882 -2.322 8.202 1.00 1.26 N ATOM 0 H LYS A 90 -1.405 -5.816 3.844 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.093 -3.538 4.308 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.074 -3.751 4.391 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.063 -2.502 5.120 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.902 -5.425 5.927 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.372 -4.035 6.854 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.259 -4.658 6.103 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.536 -4.938 7.675 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.864 -2.225 6.330 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.854 -2.844 7.637 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.242 -1.424 8.583 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.760 -3.003 8.978 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -0.966 -2.159 7.738 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.275 -3.740 1.612 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.118 -3.200 0.275 1.00 0.22 C ATOM 1356 C ALA A 91 -2.471 -3.118 -0.401 1.00 0.19 C ATOM 1357 O ALA A 91 -2.811 -2.106 -1.000 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.160 -4.056 -0.541 1.00 0.22 C ATOM 0 H ALA A 91 -0.844 -4.654 1.747 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.695 -2.198 0.344 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.056 -3.634 -1.541 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.814 -4.077 -0.053 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.551 -5.071 -0.615 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.245 -4.190 -0.277 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.615 -4.214 -0.764 1.00 0.16 C ATOM 1366 C TYR A 92 -5.432 -3.130 -0.091 1.00 0.16 C ATOM 1367 O TYR A 92 -6.253 -2.474 -0.726 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.267 -5.566 -0.495 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.920 -6.647 -1.479 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.216 -6.512 -2.827 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.300 -7.806 -1.055 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.900 -7.511 -3.728 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.981 -8.809 -1.944 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.283 -8.660 -3.280 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.973 -9.664 -4.166 1.00 0.24 O ATOM 0 H TYR A 92 -2.942 -5.060 0.161 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.587 -4.040 -1.840 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.980 -5.898 0.503 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.349 -5.435 -0.489 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.701 -5.613 -3.178 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.061 -7.928 -0.009 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.135 -7.393 -4.776 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.496 -9.709 -1.595 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.541 -10.402 -3.687 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.201 -2.951 1.198 1.00 0.20 N ATOM 1386 CA ALA A 93 -5.897 -1.934 1.957 1.00 0.21 C ATOM 1387 C ALA A 93 -5.515 -0.541 1.476 1.00 0.23 C ATOM 1388 O ALA A 93 -6.353 0.350 1.437 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.618 -2.091 3.440 1.00 0.25 C ATOM 0 H ALA A 93 -4.534 -3.500 1.740 1.00 0.20 H new ATOM 0 HA ALA A 93 -6.968 -2.061 1.797 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.150 -1.318 3.994 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -5.956 -3.073 3.772 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.547 -1.996 3.621 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.248 -0.356 1.112 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.804 0.908 0.540 1.00 0.27 C ATOM 1397 C ARG A 94 -4.400 1.099 -0.846 1.00 0.24 C ATOM 1398 O ARG A 94 -4.871 2.184 -1.176 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.277 0.990 0.462 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.596 1.174 1.808 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.133 1.561 1.642 1.00 0.53 C ATOM 1402 NE ARG A 94 0.534 1.761 2.935 1.00 0.72 N ATOM 1403 CZ ARG A 94 1.676 1.170 3.301 1.00 0.69 C ATOM 1404 NH1 ARG A 94 2.247 0.264 2.520 1.00 1.50 N ATOM 1405 NH2 ARG A 94 2.244 1.483 4.461 1.00 0.88 N ATOM 0 H ARG A 94 -3.517 -1.061 1.203 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.151 1.704 1.199 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -1.898 0.080 -0.003 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.001 1.820 -0.189 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.115 1.944 2.378 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -1.667 0.250 2.383 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.386 0.783 1.083 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.065 2.476 1.054 1.00 0.53 H new ATOM 0 HE ARG A 94 0.095 2.396 3.601 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.815 0.012 1.631 1.00 1.50 H new ATOM 0 HH12 ARG A 94 3.118 -0.181 2.808 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.809 2.174 5.072 1.00 0.88 H new ATOM 0 HH22 ARG A 94 3.115 1.032 4.740 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.378 0.041 -1.651 1.00 0.21 N ATOM 1420 CA ILE A 95 -4.988 0.063 -2.976 1.00 0.21 C ATOM 1421 C ILE A 95 -6.450 0.454 -2.864 1.00 0.20 C ATOM 1422 O ILE A 95 -6.901 1.421 -3.479 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.891 -1.314 -3.671 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.436 -1.696 -3.904 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.642 -1.307 -4.990 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.255 -3.074 -4.495 1.00 0.22 C ATOM 0 H ILE A 95 -3.941 -0.848 -1.406 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.445 0.793 -3.576 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.348 -2.054 -3.014 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.980 -0.963 -4.569 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -2.900 -1.644 -2.956 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.560 -2.287 -5.461 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.692 -1.078 -4.809 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.214 -0.551 -5.648 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.192 -3.274 -4.632 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.681 -3.818 -3.821 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.761 -3.126 -5.459 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.173 -0.295 -2.048 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.574 -0.038 -1.843 1.00 0.18 C ATOM 1440 C GLY A 96 -8.823 1.331 -1.256 1.00 0.20 C ATOM 1441 O GLY A 96 -9.773 2.003 -1.636 1.00 0.23 O ATOM 0 H GLY A 96 -6.805 -1.086 -1.519 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.100 -0.125 -2.793 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -8.987 -0.797 -1.179 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.961 1.760 -0.342 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.150 3.044 0.317 1.00 0.25 C ATOM 1447 C ASN A 97 -7.864 4.183 -0.647 1.00 0.25 C ATOM 1448 O ASN A 97 -8.441 5.258 -0.534 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.275 3.173 1.563 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.890 4.092 2.605 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -7.665 5.298 2.609 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -8.671 3.522 3.505 1.00 1.64 N ATOM 0 H ASN A 97 -7.134 1.244 -0.044 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.191 3.100 0.635 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.119 2.186 1.999 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.295 3.555 1.278 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -9.108 4.088 4.232 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -8.837 2.516 3.473 1.00 1.64 H new ATOM 1459 N SER A 98 -6.977 3.940 -1.599 1.00 0.26 N ATOM 1460 CA SER A 98 -6.716 4.902 -2.659 1.00 0.29 C ATOM 1461 C SER A 98 -7.992 5.130 -3.457 1.00 0.29 C ATOM 1462 O SER A 98 -8.392 6.268 -3.710 1.00 0.32 O ATOM 1463 CB SER A 98 -5.603 4.381 -3.564 1.00 0.32 C ATOM 1464 OG SER A 98 -4.418 4.152 -2.824 1.00 0.94 O ATOM 0 H SER A 98 -6.425 3.084 -1.660 1.00 0.26 H new ATOM 0 HA SER A 98 -6.395 5.850 -2.227 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.922 3.456 -4.044 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.407 5.101 -4.359 1.00 0.32 H new ATOM 0 HG SER A 98 -4.606 3.530 -2.090 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.636 4.028 -3.815 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.936 4.060 -4.463 1.00 0.29 C ATOM 1472 C TYR A 99 -10.969 4.705 -3.541 1.00 0.28 C ATOM 1473 O TYR A 99 -11.807 5.492 -3.974 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.361 2.638 -4.823 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.556 2.034 -5.948 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.564 2.611 -7.203 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.803 0.883 -5.762 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.847 2.070 -8.247 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.077 0.332 -6.800 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.103 0.929 -8.042 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.382 0.387 -9.083 1.00 0.43 O ATOM 0 H TYR A 99 -8.271 3.088 -3.664 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.869 4.654 -5.374 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.268 2.005 -3.940 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.415 2.642 -5.103 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.145 3.506 -7.369 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.784 0.411 -4.791 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.868 2.537 -9.220 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.492 -0.562 -6.639 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.106 1.100 -9.696 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.879 4.373 -2.262 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.765 4.908 -1.233 1.00 0.27 C ATOM 1493 C PHE A 100 -11.688 6.437 -1.186 1.00 0.32 C ATOM 1494 O PHE A 100 -12.707 7.115 -1.062 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.365 4.296 0.114 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.242 4.649 1.282 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.507 4.094 1.412 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.816 5.561 2.229 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.323 4.440 2.471 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.629 5.915 3.286 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.841 5.250 3.471 1.00 0.37 C ATOM 0 H PHE A 100 -10.183 3.719 -1.903 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.798 4.647 -1.463 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.352 3.211 0.009 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.345 4.606 0.343 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.857 3.384 0.677 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.834 6.002 2.141 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.338 4.075 2.513 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.330 6.700 3.964 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.395 5.370 4.390 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.479 6.974 -1.309 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.281 8.420 -1.285 1.00 0.38 C ATOM 1513 C LYS A 101 -10.706 9.051 -2.606 1.00 0.41 C ATOM 1514 O LYS A 101 -11.106 10.213 -2.649 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.812 8.776 -1.023 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.211 8.137 0.219 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.960 8.518 1.489 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.772 9.988 1.827 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.495 10.370 3.067 1.00 0.74 N ATOM 0 H LYS A 101 -9.623 6.432 -1.426 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.898 8.811 -0.476 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.221 8.479 -1.889 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.726 9.859 -0.935 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.220 7.053 0.107 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.168 8.439 0.311 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -10.022 8.305 1.364 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.607 7.905 2.318 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.709 10.200 1.947 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.127 10.599 0.997 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.341 11.380 3.262 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.512 10.193 2.944 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.139 9.805 3.864 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.615 8.285 -3.687 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.876 8.820 -5.015 1.00 0.40 C ATOM 1535 C GLU A 102 -12.343 8.605 -5.417 1.00 0.39 C ATOM 1536 O GLU A 102 -12.745 8.931 -6.538 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.921 8.190 -6.028 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.494 7.005 -6.777 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.610 6.560 -7.921 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.686 7.155 -9.010 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.822 5.609 -7.726 1.00 0.45 O ATOM 0 H GLU A 102 -10.364 7.297 -3.669 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.700 9.896 -5.001 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.623 8.951 -6.750 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -9.017 7.873 -5.508 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.633 6.174 -6.085 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.479 7.266 -7.164 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.129 8.054 -4.481 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.566 7.813 -4.672 1.00 0.35 C ATOM 1550 C GLU A 103 -14.802 6.628 -5.621 1.00 0.35 C ATOM 1551 O GLU A 103 -15.854 6.500 -6.250 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.267 9.085 -5.175 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.785 9.047 -5.074 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.425 10.341 -5.521 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.600 11.244 -4.680 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.753 10.467 -6.718 1.00 1.47 O ATOM 0 H GLU A 103 -12.784 7.762 -3.567 1.00 0.36 H new ATOM 0 HA GLU A 103 -15.002 7.552 -3.707 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.898 9.938 -4.605 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.988 9.252 -6.215 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -17.166 8.227 -5.683 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -17.073 8.840 -4.043 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.809 5.760 -5.706 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.878 4.552 -6.496 1.00 0.31 C ATOM 1565 C LYS A 104 -14.137 3.360 -5.578 1.00 0.28 C ATOM 1566 O LYS A 104 -13.374 2.397 -5.538 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.556 4.400 -7.224 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.673 3.687 -8.539 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.614 4.138 -9.529 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.698 3.360 -10.830 1.00 1.11 C ATOM 1571 NZ LYS A 104 -10.671 3.807 -11.806 1.00 1.89 N ATOM 0 H LYS A 104 -12.921 5.880 -5.219 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.691 4.601 -7.220 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -12.128 5.388 -7.393 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -11.860 3.856 -6.586 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -12.584 2.613 -8.378 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -13.662 3.865 -8.961 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -11.735 5.202 -9.732 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -10.625 4.008 -9.090 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.569 2.297 -10.627 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -12.690 3.483 -11.264 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.760 3.253 -12.682 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -10.810 4.815 -12.019 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -9.723 3.666 -11.402 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.234 3.447 -4.849 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.538 2.514 -3.764 1.00 0.25 C ATOM 1587 C TYR A 105 -15.753 1.080 -4.243 1.00 0.26 C ATOM 1588 O TYR A 105 -15.420 0.139 -3.522 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.759 2.990 -2.983 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.571 4.354 -2.377 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.665 4.561 -1.347 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.314 5.433 -2.825 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.507 5.810 -0.782 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.167 6.681 -2.265 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.183 6.871 -1.275 1.00 0.38 C ATOM 1596 OH TYR A 105 -16.120 8.114 -0.680 1.00 0.46 O ATOM 0 H TYR A 105 -15.945 4.165 -4.988 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.662 2.501 -3.115 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.624 3.009 -3.646 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.980 2.274 -2.192 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.075 3.733 -0.982 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -18.022 5.292 -3.629 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.840 5.940 0.058 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.795 7.501 -2.579 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.674 8.746 -1.183 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.299 0.902 -5.440 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.494 -0.444 -5.978 1.00 0.35 C ATOM 1608 C LYS A 106 -15.149 -1.134 -6.139 1.00 0.31 C ATOM 1609 O LYS A 106 -15.015 -2.340 -5.920 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.218 -0.405 -7.323 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.597 0.223 -7.262 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.262 0.207 -8.623 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.675 0.761 -8.563 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.343 0.699 -9.887 1.00 1.57 N ATOM 0 H LYS A 106 -16.611 1.657 -6.050 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.112 -1.003 -5.276 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.608 0.150 -8.036 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.309 -1.422 -7.705 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.215 -0.317 -6.545 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.517 1.250 -6.904 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.670 0.795 -9.325 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.287 -0.814 -9.004 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -21.257 0.197 -7.834 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.647 1.794 -8.217 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.305 1.085 -9.809 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -20.801 1.258 -10.576 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.392 -0.290 -10.205 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.153 -0.349 -6.517 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.792 -0.837 -6.645 1.00 0.29 C ATOM 1630 C ASP A 107 -12.160 -0.974 -5.265 1.00 0.23 C ATOM 1631 O ASP A 107 -11.402 -1.908 -5.007 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.971 0.118 -7.513 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.397 0.108 -8.969 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -13.502 0.609 -9.275 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.629 -0.395 -9.820 1.00 0.67 O ATOM 0 H ASP A 107 -14.266 0.639 -6.742 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.808 -1.816 -7.124 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -12.065 1.130 -7.119 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.917 -0.153 -7.446 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.503 -0.037 -4.386 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.021 -0.036 -3.007 1.00 0.18 C ATOM 1642 C ALA A 108 -12.340 -1.358 -2.321 1.00 0.16 C ATOM 1643 O ALA A 108 -11.443 -2.087 -1.897 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.644 1.121 -2.229 1.00 0.18 C ATOM 0 H ALA A 108 -13.122 0.742 -4.608 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.939 0.091 -3.025 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.276 1.110 -1.203 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.373 2.065 -2.701 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.729 1.015 -2.226 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.626 -1.665 -2.251 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.115 -2.857 -1.565 1.00 0.18 C ATOM 1652 C ILE A 109 -13.578 -4.128 -2.206 1.00 0.19 C ATOM 1653 O ILE A 109 -13.289 -5.105 -1.512 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.655 -2.873 -1.576 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.176 -1.641 -0.853 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.195 -4.127 -0.919 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.498 -1.147 -1.378 1.00 0.51 C ATOM 0 H ILE A 109 -14.363 -1.096 -2.668 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.758 -2.824 -0.536 1.00 0.18 H new ATOM 0 HB ILE A 109 -15.995 -2.865 -2.612 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.278 -1.869 0.208 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.440 -0.842 -0.938 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.285 -4.109 -0.942 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.835 -5.004 -1.457 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -15.855 -4.171 0.116 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.807 -0.266 -0.815 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.397 -0.887 -2.432 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.249 -1.930 -1.268 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.425 -4.107 -3.526 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.895 -5.258 -4.240 1.00 0.23 C ATOM 1671 C HIS A 110 -11.554 -5.671 -3.654 1.00 0.20 C ATOM 1672 O HIS A 110 -11.356 -6.827 -3.282 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.721 -4.956 -5.734 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.225 -6.136 -6.518 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -13.059 -7.075 -7.086 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.964 -6.538 -6.811 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.331 -7.999 -7.685 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -11.060 -7.693 -7.538 1.00 0.40 N ATOM 0 H HIS A 110 -13.659 -3.310 -4.118 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.612 -6.072 -4.129 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.675 -4.628 -6.146 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -12.022 -4.128 -5.853 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -14.078 -7.058 -7.049 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -10.051 -6.038 -6.523 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.715 -8.862 -8.208 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.641 -4.714 -3.569 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.298 -4.985 -3.085 1.00 0.17 C ATOM 1689 C PHE A 111 -9.271 -5.089 -1.566 1.00 0.16 C ATOM 1690 O PHE A 111 -8.398 -5.744 -1.016 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.326 -3.922 -3.592 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.094 -4.011 -5.075 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.198 -4.928 -5.599 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.771 -3.172 -5.947 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.983 -5.008 -6.963 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.560 -3.247 -7.310 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.666 -4.182 -7.817 1.00 0.32 C ATOM 0 H PHE A 111 -10.808 -3.742 -3.830 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.978 -5.950 -3.479 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.715 -2.933 -3.347 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.374 -4.028 -3.072 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.661 -5.589 -4.935 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.473 -2.450 -5.555 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.275 -5.723 -7.356 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.087 -2.582 -7.978 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.510 -4.258 -8.883 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.234 -4.463 -0.893 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.392 -4.634 0.554 1.00 0.17 C ATOM 1709 C TYR A 112 -10.692 -6.085 0.888 1.00 0.20 C ATOM 1710 O TYR A 112 -10.048 -6.674 1.740 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.533 -3.769 1.097 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.226 -2.298 1.254 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -9.944 -1.849 1.552 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.238 -1.356 1.128 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.685 -0.504 1.716 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -11.989 -0.015 1.294 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.712 0.408 1.586 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.463 1.745 1.766 1.00 0.32 O ATOM 0 H TYR A 112 -10.915 -3.835 -1.321 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.455 -4.327 1.018 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.390 -3.873 0.432 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -11.833 -4.164 2.068 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.140 -2.563 1.656 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.240 -1.684 0.895 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.685 -0.167 1.945 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -12.790 0.703 1.196 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.311 2.224 1.875 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.676 -6.664 0.224 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.009 -8.064 0.451 1.00 0.28 C ATOM 1730 C ASN A 113 -10.838 -8.953 0.031 1.00 0.27 C ATOM 1731 O ASN A 113 -10.672 -10.063 0.535 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.279 -8.431 -0.313 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.849 -9.767 0.110 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.557 -10.801 -0.490 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.659 -9.754 1.154 1.00 1.23 N ATOM 0 H ASN A 113 -12.256 -6.194 -0.471 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.195 -8.223 1.513 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.029 -7.655 -0.158 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.062 -8.455 -1.381 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.069 -10.625 1.492 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -14.874 -8.873 1.622 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.023 -8.440 -0.888 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.762 -9.075 -1.254 1.00 0.24 C ATOM 1744 C LYS A 114 -7.764 -8.956 -0.104 1.00 0.21 C ATOM 1745 O LYS A 114 -6.907 -9.819 0.085 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.176 -8.409 -2.485 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.969 -8.619 -3.758 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.183 -9.476 -4.714 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.658 -9.328 -6.139 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.928 -10.237 -7.066 1.00 1.25 N ATOM 0 H LYS A 114 -10.218 -7.577 -1.397 1.00 0.25 H new ATOM 0 HA LYS A 114 -8.955 -10.126 -1.467 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.093 -7.338 -2.297 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.164 -8.785 -2.637 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.923 -9.095 -3.529 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.195 -7.658 -4.219 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.128 -9.208 -4.655 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.264 -10.520 -4.413 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.726 -9.540 -6.189 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.522 -8.296 -6.461 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.284 -10.104 -8.034 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.912 -10.018 -7.038 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -8.078 -11.224 -6.774 1.00 1.25 H new ATOM 1764 N SER A 115 -7.873 -7.864 0.646 1.00 0.20 N ATOM 1765 CA SER A 115 -7.050 -7.652 1.827 1.00 0.21 C ATOM 1766 C SER A 115 -7.457 -8.673 2.887 1.00 0.25 C ATOM 1767 O SER A 115 -6.614 -9.348 3.479 1.00 0.28 O ATOM 1768 CB SER A 115 -7.252 -6.233 2.375 1.00 0.23 C ATOM 1769 OG SER A 115 -7.554 -5.305 1.353 1.00 1.04 O ATOM 0 H SER A 115 -8.530 -7.108 0.453 1.00 0.20 H new ATOM 0 HA SER A 115 -5.999 -7.772 1.566 1.00 0.21 H new ATOM 0 HB2 SER A 115 -8.059 -6.240 3.108 1.00 0.23 H new ATOM 0 HB3 SER A 115 -6.350 -5.915 2.897 1.00 0.23 H new ATOM 0 HG SER A 115 -7.276 -4.408 1.633 1.00 1.04 H new ATOM 1775 N LEU A 116 -8.773 -8.791 3.090 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.341 -9.798 3.984 1.00 0.31 C ATOM 1777 C LEU A 116 -8.971 -11.201 3.506 1.00 0.33 C ATOM 1778 O LEU A 116 -8.883 -12.138 4.300 1.00 0.38 O ATOM 1779 CB LEU A 116 -10.877 -9.684 4.059 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.453 -8.556 4.934 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -10.706 -8.445 6.243 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.442 -7.222 4.215 1.00 0.35 C ATOM 0 H LEU A 116 -9.468 -8.194 2.641 1.00 0.26 H new ATOM 0 HA LEU A 116 -8.927 -9.622 4.977 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.257 -9.554 3.046 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.269 -10.632 4.427 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.490 -8.818 5.143 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.135 -7.640 6.840 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -10.787 -9.385 6.789 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -9.656 -8.230 6.046 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -11.857 -6.454 4.867 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.418 -6.960 3.951 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.044 -7.292 3.309 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.765 -11.328 2.200 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.428 -12.600 1.575 1.00 0.33 C ATOM 1796 C ALA A 117 -7.041 -13.080 2.000 1.00 0.33 C ATOM 1797 O ALA A 117 -6.809 -14.279 2.151 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.505 -12.461 0.056 1.00 0.32 C ATOM 0 H ALA A 117 -8.827 -10.549 1.544 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.148 -13.348 1.906 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.253 -13.414 -0.410 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.516 -12.173 -0.232 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.802 -11.697 -0.276 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.127 -12.143 2.204 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.757 -12.486 2.564 1.00 0.30 C ATOM 1806 C GLU A 118 -4.541 -12.406 4.070 1.00 0.32 C ATOM 1807 O GLU A 118 -4.020 -13.335 4.684 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.774 -11.559 1.853 1.00 0.27 C ATOM 1809 CG GLU A 118 -3.834 -11.652 0.336 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.785 -13.080 -0.177 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.699 -13.694 -0.147 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.836 -13.595 -0.616 1.00 0.53 O ATOM 0 H GLU A 118 -6.307 -11.142 2.127 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.580 -13.514 2.247 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -3.976 -10.531 2.153 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.762 -11.795 2.183 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.751 -11.178 -0.015 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.002 -11.091 -0.089 1.00 0.30 H new ATOM 1819 N HIS A 119 -4.957 -11.299 4.660 1.00 0.32 N ATOM 1820 CA HIS A 119 -4.735 -11.055 6.075 1.00 0.36 C ATOM 1821 C HIS A 119 -5.937 -10.324 6.665 1.00 0.37 C ATOM 1822 O HIS A 119 -6.067 -9.102 6.553 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.414 -10.284 6.248 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.137 -9.721 7.608 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.301 -8.643 7.806 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -3.536 -10.110 8.832 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.195 -8.404 9.097 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -2.933 -9.282 9.744 1.00 0.50 N ATOM 0 H HIS A 119 -5.454 -10.550 4.177 1.00 0.32 H new ATOM 0 HA HIS A 119 -4.640 -11.992 6.623 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.594 -10.951 5.982 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.403 -9.463 5.531 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -1.837 -8.113 7.068 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.208 -10.925 9.056 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -1.603 -7.621 9.548 1.00 0.48 H new ATOM 1837 N ARG A 120 -6.808 -11.102 7.295 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.083 -10.616 7.805 1.00 0.43 C ATOM 1839 C ARG A 120 -7.870 -9.690 8.996 1.00 0.46 C ATOM 1840 O ARG A 120 -7.582 -10.137 10.107 1.00 0.53 O ATOM 1841 CB ARG A 120 -8.956 -11.811 8.196 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.411 -11.473 8.465 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.211 -12.726 8.781 1.00 0.62 C ATOM 1844 NE ARG A 120 -12.649 -12.473 8.807 1.00 1.38 N ATOM 1845 CZ ARG A 120 -13.570 -13.411 9.022 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.208 -14.669 9.247 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -14.855 -13.086 9.003 1.00 2.87 N ATOM 0 H ARG A 120 -6.648 -12.095 7.467 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.587 -10.042 7.027 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -8.911 -12.553 7.399 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.534 -12.275 9.087 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.478 -10.774 9.299 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -10.839 -10.973 7.596 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -10.992 -13.491 8.036 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -10.896 -13.122 9.747 1.00 0.62 H new ATOM 0 HE ARG A 120 -12.969 -11.517 8.651 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -12.220 -14.922 9.256 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.918 -15.383 9.411 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -15.135 -12.121 8.824 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -15.564 -13.800 9.167 1.00 2.87 H new ATOM 1861 N THR A 121 -8.003 -8.396 8.752 1.00 0.45 N ATOM 1862 CA THR A 121 -7.776 -7.395 9.778 1.00 0.50 C ATOM 1863 C THR A 121 -8.934 -6.403 9.853 1.00 0.49 C ATOM 1864 O THR A 121 -9.561 -6.077 8.841 1.00 0.47 O ATOM 1865 CB THR A 121 -6.460 -6.651 9.522 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.201 -6.568 8.113 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.308 -7.340 10.224 1.00 0.62 C ATOM 0 H THR A 121 -8.269 -8.014 7.845 1.00 0.45 H new ATOM 0 HA THR A 121 -7.710 -7.912 10.735 1.00 0.50 H new ATOM 0 HB THR A 121 -6.555 -5.642 9.924 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.040 -7.467 7.756 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.384 -6.795 10.029 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.496 -7.361 11.297 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.213 -8.360 9.852 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.221 -5.914 11.075 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.414 -5.129 11.367 1.00 0.56 C ATOM 1877 C PRO A 122 -10.440 -3.775 10.671 1.00 0.51 C ATOM 1878 O PRO A 122 -11.511 -3.241 10.410 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.381 -4.941 12.884 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.333 -5.850 13.397 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.393 -6.096 12.272 1.00 0.69 C ATOM 0 HA PRO A 122 -11.305 -5.642 11.005 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.157 -3.906 13.142 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.349 -5.177 13.325 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.814 -5.403 14.245 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.770 -6.785 13.748 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.557 -5.397 12.290 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -7.970 -7.100 12.317 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.268 -3.225 10.377 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.181 -1.927 9.707 1.00 0.48 C ATOM 1891 C ASP A 123 -9.731 -2.007 8.297 1.00 0.40 C ATOM 1892 O ASP A 123 -10.534 -1.168 7.890 1.00 0.40 O ATOM 1893 CB ASP A 123 -7.742 -1.419 9.662 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.192 -1.085 11.032 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -6.653 -1.994 11.697 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.285 0.089 11.448 1.00 2.06 O ATOM 0 H ASP A 123 -8.367 -3.653 10.590 1.00 0.50 H new ATOM 0 HA ASP A 123 -9.782 -1.226 10.287 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.110 -2.175 9.197 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.695 -0.532 9.031 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.319 -3.022 7.552 1.00 0.35 N ATOM 1902 CA VAL A 124 -9.785 -3.170 6.185 1.00 0.29 C ATOM 1903 C VAL A 124 -11.234 -3.616 6.177 1.00 0.28 C ATOM 1904 O VAL A 124 -11.993 -3.252 5.292 1.00 0.28 O ATOM 1905 CB VAL A 124 -8.970 -4.182 5.371 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.190 -3.936 3.891 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.491 -4.136 5.719 1.00 0.31 C ATOM 0 H VAL A 124 -8.672 -3.745 7.867 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.666 -2.192 5.720 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.318 -5.183 5.625 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.611 -4.655 3.312 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.248 -4.050 3.657 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -8.869 -2.925 3.639 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -6.953 -4.869 5.118 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.099 -3.140 5.512 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.359 -4.366 6.776 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.607 -4.413 7.167 1.00 0.35 N ATOM 1918 CA LEU A 125 -12.991 -4.833 7.327 1.00 0.38 C ATOM 1919 C LEU A 125 -13.857 -3.600 7.579 1.00 0.38 C ATOM 1920 O LEU A 125 -14.908 -3.418 6.957 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.094 -5.831 8.486 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.404 -6.617 8.585 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.183 -7.892 9.377 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.494 -5.787 9.246 1.00 0.54 C ATOM 0 H LEU A 125 -10.970 -4.782 7.873 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.344 -5.329 6.423 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.273 -6.543 8.400 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -12.948 -5.288 9.420 1.00 0.45 H new ATOM 0 HG LEU A 125 -14.727 -6.865 7.574 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.119 -8.446 9.443 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.433 -8.505 8.877 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -13.838 -7.642 10.380 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.412 -6.371 9.302 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.179 -5.508 10.251 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.672 -4.886 8.658 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.378 -2.755 8.487 1.00 0.40 N ATOM 1937 CA LYS A 126 -13.985 -1.462 8.773 1.00 0.42 C ATOM 1938 C LYS A 126 -14.126 -0.643 7.496 1.00 0.39 C ATOM 1939 O LYS A 126 -15.188 -0.090 7.210 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.113 -0.715 9.790 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.454 0.756 9.964 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.511 1.438 10.946 1.00 0.72 C ATOM 1943 CE LYS A 126 -12.618 0.841 12.342 1.00 1.37 C ATOM 1944 NZ LYS A 126 -11.700 1.505 13.304 1.00 2.04 N ATOM 0 H LYS A 126 -12.550 -2.952 9.049 1.00 0.40 H new ATOM 0 HA LYS A 126 -14.981 -1.615 9.188 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.202 -1.211 10.757 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.070 -0.798 9.484 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.401 1.259 8.998 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.481 0.853 10.318 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -11.485 1.345 10.589 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -12.739 2.503 10.988 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.644 0.933 12.698 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -12.390 -0.224 12.299 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -11.805 1.068 14.242 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -10.718 1.396 12.979 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -11.934 2.517 13.365 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.044 -0.584 6.734 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.007 0.164 5.488 1.00 0.31 C ATOM 1960 C LYS A 127 -13.940 -0.420 4.447 1.00 0.27 C ATOM 1961 O LYS A 127 -14.630 0.311 3.736 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.590 0.180 4.936 1.00 0.31 C ATOM 1963 CG LYS A 127 -10.880 1.497 5.169 1.00 0.52 C ATOM 1964 CD LYS A 127 -10.732 1.812 6.646 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.220 3.227 6.854 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.710 3.438 8.234 1.00 1.48 N ATOM 0 H LYS A 127 -12.168 -1.053 6.963 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.338 1.179 5.708 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.016 -0.623 5.399 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.620 -0.026 3.866 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -9.894 1.464 4.705 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.435 2.299 4.682 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -11.694 1.693 7.145 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.045 1.102 7.106 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.424 3.433 6.138 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.023 3.936 6.652 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.371 4.416 8.333 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -10.475 3.266 8.917 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -8.927 2.779 8.419 1.00 1.48 H new ATOM 1980 N CYS A 128 -13.945 -1.737 4.353 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.753 -2.428 3.374 1.00 0.26 C ATOM 1982 C CYS A 128 -16.222 -2.114 3.599 1.00 0.29 C ATOM 1983 O CYS A 128 -16.935 -1.734 2.672 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.512 -3.939 3.452 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.503 -4.914 2.296 1.00 0.91 S ATOM 0 H CYS A 128 -13.392 -2.351 4.950 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.468 -2.086 2.379 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.457 -4.137 3.263 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.723 -4.276 4.467 1.00 0.26 H new ATOM 0 HG CYS A 128 -14.780 -5.228 1.262 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.655 -2.240 4.849 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.030 -1.940 5.208 1.00 0.36 C ATOM 1993 C GLN A 129 -18.310 -0.455 5.031 1.00 0.32 C ATOM 1994 O GLN A 129 -19.402 -0.065 4.621 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.318 -2.354 6.647 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.230 -3.853 6.873 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.550 -4.252 8.300 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.318 -3.494 9.243 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -19.087 -5.448 8.470 1.00 1.10 N ATOM 0 H GLN A 129 -16.072 -2.548 5.627 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.684 -2.508 4.546 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.613 -1.852 7.310 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.315 -2.010 6.923 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -18.919 -4.359 6.196 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.226 -4.195 6.621 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -19.264 -6.047 7.664 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -19.324 -5.772 9.408 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.308 0.367 5.331 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.438 1.813 5.224 1.00 0.30 C ATOM 2010 C GLN A 130 -17.719 2.219 3.783 1.00 0.26 C ATOM 2011 O GLN A 130 -18.608 3.018 3.522 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.164 2.511 5.710 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.321 4.010 5.912 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.450 4.369 6.858 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -17.264 4.414 8.073 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -18.621 4.649 6.309 1.00 1.65 N ATOM 0 H GLN A 130 -16.393 0.051 5.652 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.273 2.120 5.854 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -15.850 2.059 6.651 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.366 2.333 4.989 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.387 4.418 6.299 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.500 4.484 4.947 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -18.734 4.600 5.297 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -19.410 4.914 6.898 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.972 1.649 2.853 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.093 2.023 1.454 1.00 0.21 C ATOM 2027 C ALA A 131 -18.434 1.600 0.864 1.00 0.23 C ATOM 2028 O ALA A 131 -19.025 2.338 0.078 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.945 1.445 0.648 1.00 0.20 C ATOM 0 H ALA A 131 -16.277 0.927 3.041 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.046 3.111 1.401 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -16.052 1.735 -0.397 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -15.000 1.826 1.036 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.957 0.358 0.726 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.924 0.423 1.245 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.186 -0.068 0.701 1.00 0.35 C ATOM 2037 C GLU A 132 -21.382 0.673 1.299 1.00 0.35 C ATOM 2038 O GLU A 132 -22.389 0.877 0.620 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.326 -1.587 0.876 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.004 -2.099 2.262 1.00 1.02 C ATOM 2041 CD GLU A 132 -20.245 -3.588 2.406 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -21.412 -3.994 2.588 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -19.267 -4.367 2.339 1.00 1.41 O ATOM 0 H GLU A 132 -18.475 -0.199 1.917 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.175 0.137 -0.369 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.347 -1.875 0.626 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.671 -2.083 0.160 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -18.961 -1.880 2.493 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.611 -1.564 2.993 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.275 1.094 2.559 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.329 1.905 3.167 1.00 0.36 C ATOM 2052 C LYS A 133 -22.265 3.333 2.628 1.00 0.37 C ATOM 2053 O LYS A 133 -23.286 4.007 2.504 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.241 1.892 4.701 1.00 0.37 C ATOM 2055 CG LYS A 133 -20.925 2.413 5.255 1.00 0.36 C ATOM 2056 CD LYS A 133 -20.861 2.336 6.774 1.00 0.66 C ATOM 2057 CE LYS A 133 -21.067 0.918 7.288 1.00 1.04 C ATOM 2058 NZ LYS A 133 -21.005 0.853 8.772 1.00 1.90 N ATOM 0 H LYS A 133 -20.484 0.891 3.170 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.291 1.469 2.898 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.056 2.493 5.105 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.392 0.872 5.054 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.102 1.838 4.830 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -20.786 3.447 4.941 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -19.894 2.707 7.114 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -21.622 2.989 7.201 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.033 0.545 6.948 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -20.306 0.264 6.864 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -21.150 -0.129 9.083 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -20.074 1.185 9.095 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.748 1.458 9.177 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.057 3.779 2.300 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.864 5.058 1.624 1.00 0.34 C ATOM 2074 C ILE A 134 -21.481 5.015 0.233 1.00 0.39 C ATOM 2075 O ILE A 134 -22.214 5.921 -0.156 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.363 5.422 1.517 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.815 5.861 2.868 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.133 6.515 0.504 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.335 6.179 2.853 1.00 0.33 C ATOM 0 H ILE A 134 -20.193 3.272 2.492 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.359 5.825 2.219 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.836 4.526 1.189 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.363 6.742 3.203 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.000 5.073 3.598 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.069 6.746 0.454 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.479 6.183 -0.475 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.685 7.407 0.800 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.018 6.484 3.850 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.776 5.294 2.549 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.144 6.988 2.148 1.00 0.33 H new ATOM 2091 N LEU A 135 -21.198 3.952 -0.508 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.764 3.783 -1.837 1.00 0.48 C ATOM 2093 C LEU A 135 -23.279 3.657 -1.766 1.00 0.58 C ATOM 2094 O LEU A 135 -23.981 4.057 -2.686 1.00 0.71 O ATOM 2095 CB LEU A 135 -21.161 2.572 -2.539 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.179 2.898 -3.659 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.604 1.618 -4.237 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.849 3.720 -4.752 1.00 1.37 C ATOM 0 H LEU A 135 -20.581 3.196 -0.211 1.00 0.38 H new ATOM 0 HA LEU A 135 -21.518 4.671 -2.420 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.651 1.958 -1.797 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.971 1.969 -2.950 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.368 3.493 -3.240 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -18.904 1.862 -5.036 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.083 1.067 -3.454 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.411 1.004 -4.637 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.126 3.938 -5.538 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.682 3.157 -5.172 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.219 4.654 -4.330 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.776 3.112 -0.661 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.213 3.046 -0.420 1.00 0.72 C ATOM 2112 C LYS A 136 -25.810 4.453 -0.417 1.00 0.77 C ATOM 2113 O LYS A 136 -26.911 4.678 -0.923 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.489 2.330 0.904 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.935 2.403 1.366 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.151 1.602 2.641 1.00 1.73 C ATOM 2117 CE LYS A 136 -28.536 1.835 3.225 1.00 2.54 C ATOM 2118 NZ LYS A 136 -28.720 3.241 3.672 1.00 3.36 N ATOM 0 H LYS A 136 -23.205 2.709 0.082 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.686 2.478 -1.221 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.205 1.283 0.803 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -24.851 2.760 1.676 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.212 3.443 1.537 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.589 2.024 0.581 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -27.019 0.541 2.431 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.395 1.878 3.376 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -29.291 1.590 2.478 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -28.692 1.163 4.069 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -29.538 3.298 4.311 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -27.866 3.561 4.173 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -28.884 3.850 2.845 1.00 3.36 H new ATOM 2132 N GLU A 137 -25.055 5.398 0.132 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.457 6.798 0.147 1.00 0.82 C ATOM 2134 C GLU A 137 -25.247 7.431 -1.224 1.00 0.87 C ATOM 2135 O GLU A 137 -25.916 8.399 -1.583 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.649 7.566 1.191 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.786 7.010 2.592 1.00 1.02 C ATOM 2138 CD GLU A 137 -23.843 7.672 3.573 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -22.698 7.193 3.725 1.00 2.28 O ATOM 2140 OE2 GLU A 137 -24.233 8.683 4.191 1.00 2.01 O ATOM 0 H GLU A 137 -24.155 5.217 0.576 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.516 6.846 0.401 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.597 7.554 0.905 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.967 8.608 1.190 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -25.813 7.143 2.933 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.593 5.937 2.574 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.312 6.877 -1.985 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.961 7.418 -3.291 1.00 0.89 C ATOM 2149 C GLN A 138 -24.973 7.009 -4.360 1.00 1.04 C ATOM 2150 O GLN A 138 -25.152 7.716 -5.350 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.563 6.957 -3.694 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.474 7.443 -2.753 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.210 8.937 -2.862 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -22.096 9.721 -3.200 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -19.986 9.344 -2.570 1.00 1.60 N ATOM 0 H GLN A 138 -23.780 6.048 -1.718 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.976 8.505 -3.213 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.543 5.868 -3.729 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.348 7.312 -4.702 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.756 7.204 -1.727 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.552 6.901 -2.964 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.276 8.666 -2.293 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -19.752 10.336 -2.622 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.617 5.861 -4.159 1.00 1.14 N ATOM 2165 CA GLU A 139 -26.614 5.356 -5.099 1.00 1.35 C ATOM 2166 C GLU A 139 -27.839 6.263 -5.131 1.00 1.86 C ATOM 2167 O GLU A 139 -27.912 7.137 -6.020 1.00 2.30 O ATOM 2168 CB GLU A 139 -27.038 3.932 -4.725 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.905 2.918 -4.761 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.348 1.531 -4.344 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.389 1.254 -3.125 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -26.656 0.705 -5.229 1.00 1.94 O ATOM 2173 OXT GLU A 139 -28.722 6.107 -4.260 1.00 2.51 O ATOM 0 H GLU A 139 -25.464 5.261 -3.349 1.00 1.14 H new ATOM 0 HA GLU A 139 -26.160 5.343 -6.090 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -27.469 3.944 -3.724 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -27.824 3.607 -5.407 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.493 2.875 -5.769 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -25.103 3.252 -4.103 1.00 1.46 H new TER 2180 GLU A 139