USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 990 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 92 SER OG : rot 132:sc= 2.48 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -173:sc= 1.1 (180deg=-0.00497) USER MOD Set 2.1: A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00591 USER MOD Single : A 17 SER OG : rot 39:sc= 0.406 USER MOD Single : A 19 ASN : amide:sc=-0.00356 K(o=-0.0036,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= -2.56! (180deg=-3.72!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 159:sc= -1.35 (180deg=-2.37!) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.1) USER MOD Single : A 36 MET CE :methyl -162:sc= -0.0794 (180deg=-0.516) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.59) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.2) USER MOD Single : A 51 TYR OH : rot 11:sc= -3.38! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc=-0.00551 K(o=-0.0055,f=-1.4) USER MOD Single : A 60 ASN : amide:sc= -0.0235 K(o=-0.024,f=-0.79) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0384 K(o=-0.038,f=-8!) USER MOD Single : A 71 LYS NZ :NH3+ 142:sc= 1.03 (180deg=-0.0881!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 76:sc= 0.0893 USER MOD Single : A 101 SER OG : rot -29:sc= 0.296 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 177:sc= -6.11! (180deg=-6.42!) USER MOD Single : A 112 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.12) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 120 ASN : amide:sc= 0.772 K(o=0.77,f=-5.5!) USER MOD Single : A 121 MET CE :methyl -158:sc= -0.166 (180deg=-0.822) USER MOD Single : A 125 MET CE :methyl 161:sc= -0.113 (180deg=-0.547) USER MOD Single : A 126 LYS NZ :NH3+ -130:sc= 0.455 (180deg=0) USER MOD Single : A 128 THR OG1 : rot -35:sc= 0.00354 USER MOD Single : A 131 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 133 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.15) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -22.924 -1.987 5.396 1.00 0.00 N ATOM 2 CA GLY A 15 -22.815 -1.720 3.943 1.00 0.00 C ATOM 3 C GLY A 15 -22.084 -2.830 3.222 1.00 0.00 C ATOM 4 O GLY A 15 -21.657 -3.798 3.847 1.00 0.00 O ATOM 0 HA2 GLY A 15 -23.812 -1.606 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.291 -0.777 3.785 1.00 0.00 H new ATOM 10 N SER A 16 -21.932 -2.698 1.912 1.00 0.00 N ATOM 11 CA SER A 16 -21.271 -3.722 1.117 1.00 0.00 C ATOM 12 C SER A 16 -19.768 -3.745 1.387 1.00 0.00 C ATOM 13 O SER A 16 -19.151 -4.811 1.443 1.00 0.00 O ATOM 14 CB SER A 16 -21.545 -3.491 -0.370 1.00 0.00 C ATOM 15 OG SER A 16 -21.283 -2.144 -0.731 1.00 0.00 O ATOM 0 H SER A 16 -22.257 -1.892 1.378 1.00 0.00 H new ATOM 0 HA SER A 16 -21.676 -4.692 1.405 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.923 -4.159 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.583 -3.736 -0.595 1.00 0.00 H new ATOM 0 HG SER A 16 -21.463 -2.020 -1.686 1.00 0.00 H new ATOM 21 N SER A 17 -19.185 -2.569 1.565 1.00 0.00 N ATOM 22 CA SER A 17 -17.761 -2.463 1.820 1.00 0.00 C ATOM 23 C SER A 17 -17.481 -2.465 3.317 1.00 0.00 C ATOM 24 O SER A 17 -17.835 -1.519 4.026 1.00 0.00 O ATOM 25 CB SER A 17 -17.203 -1.191 1.179 1.00 0.00 C ATOM 26 OG SER A 17 -17.928 -0.052 1.605 1.00 0.00 O ATOM 0 H SER A 17 -19.678 -1.676 1.537 1.00 0.00 H new ATOM 0 HA SER A 17 -17.267 -3.327 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.151 -1.077 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.253 -1.274 0.093 1.00 0.00 H new ATOM 0 HG SER A 17 -18.151 -0.143 2.555 1.00 0.00 H new ATOM 32 N GLY A 18 -16.883 -3.547 3.792 1.00 0.00 N ATOM 33 CA GLY A 18 -16.442 -3.609 5.171 1.00 0.00 C ATOM 34 C GLY A 18 -15.391 -2.560 5.463 1.00 0.00 C ATOM 35 O GLY A 18 -14.618 -2.187 4.576 1.00 0.00 O ATOM 0 H GLY A 18 -16.694 -4.387 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.295 -3.466 5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.038 -4.599 5.381 1.00 0.00 H new ATOM 39 N ASN A 19 -15.355 -2.093 6.699 1.00 0.00 N ATOM 40 CA ASN A 19 -14.479 -0.993 7.075 1.00 0.00 C ATOM 41 C ASN A 19 -13.015 -1.391 6.991 1.00 0.00 C ATOM 42 O ASN A 19 -12.640 -2.531 7.278 1.00 0.00 O ATOM 43 CB ASN A 19 -14.793 -0.498 8.489 1.00 0.00 C ATOM 44 CG ASN A 19 -16.147 0.173 8.590 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.650 0.736 7.620 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.740 0.129 9.769 1.00 0.00 N ATOM 0 H ASN A 19 -15.924 -2.459 7.463 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.661 -0.186 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.758 -1.340 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.021 0.204 8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.649 0.573 9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.289 -0.349 10.549 1.00 0.00 H new ATOM 53 N PRO A 20 -12.169 -0.418 6.609 1.00 0.00 N ATOM 54 CA PRO A 20 -10.726 -0.614 6.448 1.00 0.00 C ATOM 55 C PRO A 20 -10.060 -0.986 7.762 1.00 0.00 C ATOM 56 O PRO A 20 -9.011 -1.624 7.788 1.00 0.00 O ATOM 57 CB PRO A 20 -10.206 0.749 5.981 1.00 0.00 C ATOM 58 CG PRO A 20 -11.406 1.545 5.597 1.00 0.00 C ATOM 59 CD PRO A 20 -12.576 0.964 6.325 1.00 0.00 C ATOM 0 HA PRO A 20 -10.511 -1.424 5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.648 1.245 6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.527 0.637 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.272 2.594 5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.565 1.505 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.788 1.514 7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.480 0.997 5.717 1.00 0.00 H new ATOM 67 N GLU A 21 -10.682 -0.550 8.846 1.00 0.00 N ATOM 68 CA GLU A 21 -10.216 -0.845 10.197 1.00 0.00 C ATOM 69 C GLU A 21 -10.163 -2.349 10.461 1.00 0.00 C ATOM 70 O GLU A 21 -9.255 -2.840 11.132 1.00 0.00 O ATOM 71 CB GLU A 21 -11.146 -0.182 11.208 1.00 0.00 C ATOM 72 CG GLU A 21 -10.824 -0.507 12.654 1.00 0.00 C ATOM 73 CD GLU A 21 -11.870 0.033 13.599 1.00 0.00 C ATOM 74 OE1 GLU A 21 -12.047 1.266 13.646 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.542 -0.773 14.276 1.00 0.00 O ATOM 0 H GLU A 21 -11.527 0.020 8.816 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.204 -0.452 10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.102 0.899 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.171 -0.488 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.749 -1.588 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.851 -0.089 12.912 1.00 0.00 H new ATOM 82 N ASP A 22 -11.136 -3.076 9.928 1.00 0.00 N ATOM 83 CA ASP A 22 -11.260 -4.504 10.206 1.00 0.00 C ATOM 84 C ASP A 22 -10.312 -5.325 9.340 1.00 0.00 C ATOM 85 O ASP A 22 -10.237 -6.549 9.469 1.00 0.00 O ATOM 86 CB ASP A 22 -12.702 -4.972 10.012 1.00 0.00 C ATOM 87 CG ASP A 22 -13.640 -4.392 11.049 1.00 0.00 C ATOM 88 OD1 ASP A 22 -13.452 -4.672 12.251 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.577 -3.659 10.668 1.00 0.00 O ATOM 0 H ASP A 22 -11.850 -2.703 9.302 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.982 -4.661 11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.043 -4.687 9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.738 -6.060 10.061 1.00 0.00 H new ATOM 94 N PHE A 23 -9.592 -4.654 8.457 1.00 0.00 N ATOM 95 CA PHE A 23 -8.537 -5.298 7.695 1.00 0.00 C ATOM 96 C PHE A 23 -7.345 -5.539 8.604 1.00 0.00 C ATOM 97 O PHE A 23 -7.049 -4.727 9.482 1.00 0.00 O ATOM 98 CB PHE A 23 -8.101 -4.424 6.513 1.00 0.00 C ATOM 99 CG PHE A 23 -9.054 -4.419 5.348 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.278 -3.779 5.434 1.00 0.00 C ATOM 101 CD2 PHE A 23 -8.715 -5.048 4.161 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.147 -3.766 4.359 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.579 -5.038 3.083 1.00 0.00 C ATOM 104 CZ PHE A 23 -10.796 -4.396 3.182 1.00 0.00 C ATOM 0 H PHE A 23 -9.719 -3.663 8.250 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.916 -6.243 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.973 -3.400 6.864 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.126 -4.767 6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.558 -3.284 6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -7.764 -5.552 4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.100 -3.263 4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.302 -5.532 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.473 -4.386 2.340 1.00 0.00 H new ATOM 114 N LYS A 24 -6.663 -6.652 8.397 1.00 0.00 N ATOM 115 CA LYS A 24 -5.445 -6.939 9.135 1.00 0.00 C ATOM 116 C LYS A 24 -4.378 -5.947 8.732 1.00 0.00 C ATOM 117 O LYS A 24 -3.513 -5.574 9.526 1.00 0.00 O ATOM 118 CB LYS A 24 -4.946 -8.354 8.857 1.00 0.00 C ATOM 119 CG LYS A 24 -5.685 -9.435 9.621 1.00 0.00 C ATOM 120 CD LYS A 24 -5.535 -9.256 11.121 1.00 0.00 C ATOM 121 CE LYS A 24 -6.128 -10.425 11.885 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.994 -10.248 13.355 1.00 0.00 N ATOM 0 H LYS A 24 -6.931 -7.371 7.725 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.662 -6.857 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.034 -8.555 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.886 -8.409 9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.742 -9.413 9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.303 -10.414 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.479 -9.155 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.026 -8.333 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.181 -10.532 11.626 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.631 -11.347 11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.411 -11.067 13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.987 -10.171 13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.490 -9.382 13.647 1.00 0.00 H new ATOM 136 N VAL A 25 -4.470 -5.506 7.486 1.00 0.00 N ATOM 137 CA VAL A 25 -3.507 -4.586 6.926 1.00 0.00 C ATOM 138 C VAL A 25 -3.562 -3.243 7.643 1.00 0.00 C ATOM 139 O VAL A 25 -2.615 -2.479 7.596 1.00 0.00 O ATOM 140 CB VAL A 25 -3.724 -4.381 5.407 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.382 -5.597 4.793 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.534 -3.131 5.109 1.00 0.00 C ATOM 0 H VAL A 25 -5.213 -5.778 6.842 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.521 -5.027 7.070 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.741 -4.246 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.526 -5.433 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.746 -6.470 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.349 -5.766 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.661 -3.028 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.512 -3.209 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.011 -2.257 5.498 1.00 0.00 H new ATOM 152 N PHE A 26 -4.672 -2.968 8.318 1.00 0.00 N ATOM 153 CA PHE A 26 -4.802 -1.736 9.080 1.00 0.00 C ATOM 154 C PHE A 26 -3.701 -1.671 10.134 1.00 0.00 C ATOM 155 O PHE A 26 -2.923 -0.726 10.177 1.00 0.00 O ATOM 156 CB PHE A 26 -6.183 -1.655 9.739 1.00 0.00 C ATOM 157 CG PHE A 26 -6.437 -0.362 10.460 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.804 0.776 9.759 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.314 -0.284 11.838 1.00 0.00 C ATOM 160 CE1 PHE A 26 -7.044 1.965 10.418 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.550 0.902 12.502 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.916 2.029 11.792 1.00 0.00 C ATOM 0 H PHE A 26 -5.489 -3.578 8.352 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.700 -0.886 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.948 -1.790 8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.288 -2.480 10.444 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.903 0.732 8.684 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.030 -1.162 12.399 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.331 2.844 9.860 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.449 0.949 13.576 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.102 2.958 12.310 1.00 0.00 H new ATOM 172 N LYS A 27 -3.621 -2.712 10.950 1.00 0.00 N ATOM 173 CA LYS A 27 -2.611 -2.806 11.992 1.00 0.00 C ATOM 174 C LYS A 27 -1.231 -3.050 11.383 1.00 0.00 C ATOM 175 O LYS A 27 -0.233 -2.507 11.853 1.00 0.00 O ATOM 176 CB LYS A 27 -2.991 -3.936 12.948 1.00 0.00 C ATOM 177 CG LYS A 27 -2.670 -3.651 14.408 1.00 0.00 C ATOM 178 CD LYS A 27 -1.183 -3.738 14.708 1.00 0.00 C ATOM 179 CE LYS A 27 -0.591 -5.027 14.172 1.00 0.00 C ATOM 180 NZ LYS A 27 0.771 -5.289 14.709 1.00 0.00 N ATOM 0 H LYS A 27 -4.252 -3.512 10.908 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.566 -1.867 12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.059 -4.133 12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.471 -4.845 12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.032 -2.656 14.668 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.206 -4.360 15.039 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.669 -2.886 14.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.022 -3.681 15.785 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.246 -5.859 14.428 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.547 -4.979 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.350 -5.747 13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.213 -4.390 14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.703 -5.913 15.538 1.00 0.00 H new ATOM 194 N TYR A 28 -1.178 -3.852 10.328 1.00 0.00 N ATOM 195 CA TYR A 28 0.092 -4.190 9.694 1.00 0.00 C ATOM 196 C TYR A 28 0.716 -2.997 8.974 1.00 0.00 C ATOM 197 O TYR A 28 1.920 -2.786 9.053 1.00 0.00 O ATOM 198 CB TYR A 28 -0.073 -5.354 8.724 1.00 0.00 C ATOM 199 CG TYR A 28 -0.025 -6.704 9.393 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.188 -7.277 9.739 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.187 -7.402 9.678 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.245 -8.508 10.355 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.142 -8.635 10.293 1.00 0.00 C ATOM 204 CZ TYR A 28 0.076 -9.184 10.631 1.00 0.00 C ATOM 205 OH TYR A 28 0.123 -10.411 11.253 1.00 0.00 O ATOM 0 H TYR A 28 -1.996 -4.280 9.893 1.00 0.00 H new ATOM 0 HA TYR A 28 0.770 -4.486 10.495 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.024 -5.250 8.202 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.712 -5.303 7.970 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.105 -6.749 9.522 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.143 -6.974 9.414 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.199 -8.940 10.620 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.056 -9.168 10.509 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.788 -10.751 11.375 1.00 0.00 H new ATOM 215 N MET A 29 -0.089 -2.219 8.270 1.00 0.00 N ATOM 216 CA MET A 29 0.428 -1.042 7.583 1.00 0.00 C ATOM 217 C MET A 29 0.713 0.071 8.581 1.00 0.00 C ATOM 218 O MET A 29 1.594 0.901 8.364 1.00 0.00 O ATOM 219 CB MET A 29 -0.536 -0.555 6.499 1.00 0.00 C ATOM 220 CG MET A 29 -0.760 -1.567 5.390 1.00 0.00 C ATOM 221 SD MET A 29 -1.795 -0.928 4.067 1.00 0.00 S ATOM 222 CE MET A 29 -1.775 -2.313 2.937 1.00 0.00 C ATOM 0 H MET A 29 -1.091 -2.376 8.158 1.00 0.00 H new ATOM 0 HA MET A 29 1.360 -1.325 7.094 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.494 -0.313 6.958 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.148 0.367 6.066 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.203 -1.868 4.979 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.222 -2.461 5.808 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.633 -2.249 2.267 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.856 -2.292 2.352 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.825 -3.244 3.502 1.00 0.00 H new ATOM 232 N LYS A 30 -0.019 0.077 9.689 1.00 0.00 N ATOM 233 CA LYS A 30 0.237 1.031 10.755 1.00 0.00 C ATOM 234 C LYS A 30 1.594 0.779 11.402 1.00 0.00 C ATOM 235 O LYS A 30 2.278 1.718 11.812 1.00 0.00 O ATOM 236 CB LYS A 30 -0.876 0.997 11.807 1.00 0.00 C ATOM 237 CG LYS A 30 -2.066 1.892 11.472 1.00 0.00 C ATOM 238 CD LYS A 30 -1.647 3.323 11.148 1.00 0.00 C ATOM 239 CE LYS A 30 -0.798 3.920 12.254 1.00 0.00 C ATOM 240 NZ LYS A 30 -0.333 5.294 11.924 1.00 0.00 N ATOM 0 H LYS A 30 -0.790 -0.566 9.870 1.00 0.00 H new ATOM 0 HA LYS A 30 0.252 2.026 10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.225 -0.029 11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.464 1.301 12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.604 1.473 10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.758 1.901 12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.088 3.336 10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.535 3.938 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.374 3.945 13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.065 3.279 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.480 5.539 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.049 5.334 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.104 5.971 12.092 1.00 0.00 H new ATOM 254 N ILE A 31 1.995 -0.484 11.486 1.00 0.00 N ATOM 255 CA ILE A 31 3.317 -0.803 12.003 1.00 0.00 C ATOM 256 C ILE A 31 4.348 -0.747 10.885 1.00 0.00 C ATOM 257 O ILE A 31 5.529 -0.600 11.143 1.00 0.00 O ATOM 258 CB ILE A 31 3.380 -2.179 12.700 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.244 -3.315 11.684 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.301 -2.272 13.767 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.277 -4.696 12.298 1.00 0.00 C ATOM 0 H ILE A 31 1.434 -1.290 11.208 1.00 0.00 H new ATOM 0 HA ILE A 31 3.542 -0.051 12.759 1.00 0.00 H new ATOM 0 HB ILE A 31 4.353 -2.281 13.180 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.307 -3.192 11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.049 -3.234 10.954 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.353 -3.246 14.253 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.454 -1.488 14.508 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.321 -2.149 13.305 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.175 -5.446 11.513 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.224 -4.841 12.817 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.455 -4.799 13.007 1.00 0.00 H new ATOM 273 N LEU A 32 3.890 -0.869 9.642 1.00 0.00 N ATOM 274 CA LEU A 32 4.757 -0.682 8.481 1.00 0.00 C ATOM 275 C LEU A 32 5.280 0.747 8.498 1.00 0.00 C ATOM 276 O LEU A 32 6.481 0.986 8.363 1.00 0.00 O ATOM 277 CB LEU A 32 3.970 -0.972 7.189 1.00 0.00 C ATOM 278 CG LEU A 32 4.793 -1.136 5.902 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.943 -1.771 4.815 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.331 0.201 5.414 1.00 0.00 C ATOM 0 H LEU A 32 2.923 -1.097 9.412 1.00 0.00 H new ATOM 0 HA LEU A 32 5.600 -1.372 8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.391 -1.883 7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.257 -0.162 7.036 1.00 0.00 H new ATOM 0 HG LEU A 32 5.640 -1.784 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.536 -1.882 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.600 -2.751 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.081 -1.136 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.909 0.050 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.499 0.875 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.971 0.637 6.181 1.00 0.00 H new ATOM 292 N GLU A 33 4.349 1.682 8.692 1.00 0.00 N ATOM 293 CA GLU A 33 4.655 3.096 8.862 1.00 0.00 C ATOM 294 C GLU A 33 5.812 3.288 9.834 1.00 0.00 C ATOM 295 O GLU A 33 6.776 4.004 9.558 1.00 0.00 O ATOM 296 CB GLU A 33 3.425 3.794 9.429 1.00 0.00 C ATOM 297 CG GLU A 33 3.230 5.204 8.931 1.00 0.00 C ATOM 298 CD GLU A 33 2.280 6.000 9.801 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.052 5.821 9.672 1.00 0.00 O ATOM 300 OE2 GLU A 33 2.759 6.811 10.622 1.00 0.00 O ATOM 0 H GLU A 33 3.352 1.473 8.735 1.00 0.00 H new ATOM 0 HA GLU A 33 4.934 3.514 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.541 3.207 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.500 3.812 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.195 5.710 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.846 5.176 7.911 1.00 0.00 H new ATOM 307 N GLU A 34 5.694 2.628 10.971 1.00 0.00 N ATOM 308 CA GLU A 34 6.665 2.735 12.041 1.00 0.00 C ATOM 309 C GLU A 34 7.941 1.956 11.726 1.00 0.00 C ATOM 310 O GLU A 34 9.012 2.538 11.593 1.00 0.00 O ATOM 311 CB GLU A 34 6.027 2.219 13.332 1.00 0.00 C ATOM 312 CG GLU A 34 6.987 2.071 14.497 1.00 0.00 C ATOM 313 CD GLU A 34 6.277 1.644 15.763 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.713 2.517 16.452 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.263 0.435 16.065 1.00 0.00 O ATOM 0 H GLU A 34 4.918 2.000 11.178 1.00 0.00 H new ATOM 0 HA GLU A 34 6.951 3.781 12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.226 2.899 13.623 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.567 1.251 13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.753 1.337 14.245 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.498 3.018 14.669 1.00 0.00 H new ATOM 322 N ALA A 35 7.798 0.650 11.562 1.00 0.00 N ATOM 323 CA ALA A 35 8.922 -0.280 11.509 1.00 0.00 C ATOM 324 C ALA A 35 9.935 0.061 10.422 1.00 0.00 C ATOM 325 O ALA A 35 11.141 -0.066 10.644 1.00 0.00 O ATOM 326 CB ALA A 35 8.408 -1.699 11.330 1.00 0.00 C ATOM 0 H ALA A 35 6.889 0.198 11.461 1.00 0.00 H new ATOM 0 HA ALA A 35 9.452 -0.193 12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.251 -2.389 11.291 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.763 -1.961 12.169 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.841 -1.766 10.402 1.00 0.00 H new ATOM 332 N MET A 36 9.459 0.499 9.259 1.00 0.00 N ATOM 333 CA MET A 36 10.348 0.819 8.146 1.00 0.00 C ATOM 334 C MET A 36 11.341 1.916 8.521 1.00 0.00 C ATOM 335 O MET A 36 12.506 1.866 8.121 1.00 0.00 O ATOM 336 CB MET A 36 9.534 1.231 6.921 1.00 0.00 C ATOM 337 CG MET A 36 8.679 0.104 6.374 1.00 0.00 C ATOM 338 SD MET A 36 9.652 -1.264 5.704 1.00 0.00 S ATOM 339 CE MET A 36 10.465 -0.472 4.318 1.00 0.00 C ATOM 0 H MET A 36 8.468 0.640 9.064 1.00 0.00 H new ATOM 0 HA MET A 36 10.920 -0.077 7.906 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.893 2.072 7.183 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.211 1.578 6.141 1.00 0.00 H new ATOM 0 HG2 MET A 36 8.033 -0.272 7.167 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.028 0.496 5.592 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.835 -1.232 3.630 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.755 0.172 3.799 1.00 0.00 H new ATOM 0 HE3 MET A 36 11.301 0.127 4.680 1.00 0.00 H new ATOM 349 N GLU A 37 10.883 2.907 9.279 1.00 0.00 N ATOM 350 CA GLU A 37 11.776 3.965 9.747 1.00 0.00 C ATOM 351 C GLU A 37 12.372 3.617 11.110 1.00 0.00 C ATOM 352 O GLU A 37 13.502 3.995 11.427 1.00 0.00 O ATOM 353 CB GLU A 37 11.044 5.305 9.820 1.00 0.00 C ATOM 354 CG GLU A 37 11.934 6.446 10.287 1.00 0.00 C ATOM 355 CD GLU A 37 11.244 7.793 10.235 1.00 0.00 C ATOM 356 OE1 GLU A 37 11.318 8.462 9.188 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.632 8.194 11.249 1.00 0.00 O ATOM 0 H GLU A 37 9.913 3.001 9.580 1.00 0.00 H new ATOM 0 HA GLU A 37 12.589 4.052 9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.641 5.546 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.196 5.213 10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.261 6.250 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.830 6.478 9.667 1.00 0.00 H new ATOM 364 N ASN A 38 11.601 2.887 11.903 1.00 0.00 N ATOM 365 CA ASN A 38 11.988 2.533 13.267 1.00 0.00 C ATOM 366 C ASN A 38 13.208 1.623 13.267 1.00 0.00 C ATOM 367 O ASN A 38 13.985 1.613 14.224 1.00 0.00 O ATOM 368 CB ASN A 38 10.826 1.839 13.983 1.00 0.00 C ATOM 369 CG ASN A 38 11.010 1.782 15.487 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.585 0.835 16.025 1.00 0.00 O ATOM 371 ND2 ASN A 38 10.520 2.801 16.176 1.00 0.00 N ATOM 0 H ASN A 38 10.691 2.522 11.623 1.00 0.00 H new ATOM 0 HA ASN A 38 12.240 3.452 13.796 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.899 2.365 13.755 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.721 0.825 13.596 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.612 2.821 17.192 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.051 3.566 15.691 1.00 0.00 H new ATOM 378 N ASP A 39 13.367 0.866 12.186 1.00 0.00 N ATOM 379 CA ASP A 39 14.507 -0.019 12.023 1.00 0.00 C ATOM 380 C ASP A 39 15.802 0.761 12.134 1.00 0.00 C ATOM 381 O ASP A 39 15.879 1.902 11.676 1.00 0.00 O ATOM 382 CB ASP A 39 14.448 -0.744 10.673 1.00 0.00 C ATOM 383 CG ASP A 39 15.583 -1.736 10.499 1.00 0.00 C ATOM 384 OD1 ASP A 39 15.442 -2.890 10.961 1.00 0.00 O ATOM 385 OD2 ASP A 39 16.619 -1.368 9.908 1.00 0.00 O ATOM 0 H ASP A 39 12.712 0.851 11.405 1.00 0.00 H new ATOM 0 HA ASP A 39 14.472 -0.764 12.818 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.496 -1.267 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.484 -0.010 9.868 1.00 0.00 H new ATOM 390 N THR A 40 16.797 0.162 12.756 1.00 0.00 N ATOM 391 CA THR A 40 18.080 0.817 12.972 1.00 0.00 C ATOM 392 C THR A 40 18.609 1.447 11.683 1.00 0.00 C ATOM 393 O THR A 40 19.041 2.604 11.669 1.00 0.00 O ATOM 394 CB THR A 40 19.117 -0.182 13.520 1.00 0.00 C ATOM 395 OG1 THR A 40 19.135 -1.366 12.709 1.00 0.00 O ATOM 396 CG2 THR A 40 18.802 -0.559 14.960 1.00 0.00 C ATOM 0 H THR A 40 16.744 -0.787 13.126 1.00 0.00 H new ATOM 0 HA THR A 40 17.921 1.608 13.705 1.00 0.00 H new ATOM 0 HB THR A 40 20.096 0.297 13.491 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.798 -1.995 13.063 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.549 -1.265 15.323 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.816 0.336 15.582 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.815 -1.018 15.008 1.00 0.00 H new ATOM 404 N GLU A 41 18.529 0.693 10.598 1.00 0.00 N ATOM 405 CA GLU A 41 19.051 1.109 9.327 1.00 0.00 C ATOM 406 C GLU A 41 18.016 1.859 8.496 1.00 0.00 C ATOM 407 O GLU A 41 18.377 2.429 7.465 1.00 0.00 O ATOM 408 CB GLU A 41 19.490 -0.132 8.580 1.00 0.00 C ATOM 409 CG GLU A 41 20.618 -0.880 9.257 1.00 0.00 C ATOM 410 CD GLU A 41 21.088 -2.063 8.444 1.00 0.00 C ATOM 411 OE1 GLU A 41 21.870 -1.861 7.490 1.00 0.00 O ATOM 412 OE2 GLU A 41 20.667 -3.199 8.752 1.00 0.00 O ATOM 0 H GLU A 41 18.095 -0.230 10.585 1.00 0.00 H new ATOM 0 HA GLU A 41 19.883 1.792 9.497 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.636 -0.801 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 41 19.804 0.151 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.454 -0.200 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.287 -1.224 10.237 1.00 0.00 H new ATOM 419 N ASN A 42 16.756 1.874 8.956 1.00 0.00 N ATOM 420 CA ASN A 42 15.638 2.472 8.217 1.00 0.00 C ATOM 421 C ASN A 42 15.789 2.241 6.717 1.00 0.00 C ATOM 422 O ASN A 42 16.073 3.157 5.943 1.00 0.00 O ATOM 423 CB ASN A 42 15.441 3.971 8.548 1.00 0.00 C ATOM 424 CG ASN A 42 16.667 4.840 8.319 1.00 0.00 C ATOM 425 OD1 ASN A 42 16.846 5.419 7.248 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.509 4.954 9.334 1.00 0.00 N ATOM 0 H ASN A 42 16.485 1.471 9.853 1.00 0.00 H new ATOM 0 HA ASN A 42 14.731 1.965 8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.621 4.358 7.943 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.138 4.062 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.341 5.538 9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.326 4.458 10.206 1.00 0.00 H new ATOM 433 N LEU A 43 15.581 0.988 6.320 1.00 0.00 N ATOM 434 CA LEU A 43 15.773 0.555 4.938 1.00 0.00 C ATOM 435 C LEU A 43 14.862 1.306 3.974 1.00 0.00 C ATOM 436 O LEU A 43 14.975 1.152 2.759 1.00 0.00 O ATOM 437 CB LEU A 43 15.521 -0.950 4.820 1.00 0.00 C ATOM 438 CG LEU A 43 16.477 -1.836 5.621 1.00 0.00 C ATOM 439 CD1 LEU A 43 16.042 -3.291 5.544 1.00 0.00 C ATOM 440 CD2 LEU A 43 17.900 -1.681 5.109 1.00 0.00 C ATOM 0 H LEU A 43 15.275 0.244 6.947 1.00 0.00 H new ATOM 0 HA LEU A 43 16.804 0.779 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.501 -1.158 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.585 -1.231 3.769 1.00 0.00 H new ATOM 0 HG LEU A 43 16.448 -1.520 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.732 -3.908 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.037 -3.393 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.044 -3.617 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.567 -2.318 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.943 -1.972 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.212 -0.641 5.210 1.00 0.00 H new ATOM 452 N ILE A 44 13.978 2.133 4.519 1.00 0.00 N ATOM 453 CA ILE A 44 13.072 2.920 3.702 1.00 0.00 C ATOM 454 C ILE A 44 13.855 3.883 2.804 1.00 0.00 C ATOM 455 O ILE A 44 13.401 4.226 1.720 1.00 0.00 O ATOM 456 CB ILE A 44 12.058 3.712 4.561 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.905 4.209 3.688 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.726 4.881 5.273 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.958 3.115 3.246 1.00 0.00 C ATOM 0 H ILE A 44 13.872 2.274 5.524 1.00 0.00 H new ATOM 0 HA ILE A 44 12.512 2.221 3.081 1.00 0.00 H new ATOM 0 HB ILE A 44 11.664 3.040 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.343 4.962 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.315 4.700 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.986 5.416 5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.514 4.507 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.157 5.558 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.167 3.545 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.506 2.372 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.518 2.639 4.122 1.00 0.00 H new ATOM 471 N GLU A 45 15.049 4.287 3.246 1.00 0.00 N ATOM 472 CA GLU A 45 15.872 5.224 2.482 1.00 0.00 C ATOM 473 C GLU A 45 16.364 4.595 1.181 1.00 0.00 C ATOM 474 O GLU A 45 16.587 5.290 0.190 1.00 0.00 O ATOM 475 CB GLU A 45 17.061 5.716 3.308 1.00 0.00 C ATOM 476 CG GLU A 45 17.912 4.598 3.872 1.00 0.00 C ATOM 477 CD GLU A 45 19.188 5.099 4.516 1.00 0.00 C ATOM 478 OE1 GLU A 45 19.157 6.165 5.168 1.00 0.00 O ATOM 479 OE2 GLU A 45 20.233 4.426 4.372 1.00 0.00 O ATOM 0 H GLU A 45 15.465 3.981 4.126 1.00 0.00 H new ATOM 0 HA GLU A 45 15.243 6.080 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.685 6.357 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.693 6.331 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.332 4.043 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.163 3.900 3.073 1.00 0.00 H new ATOM 486 N LYS A 46 16.521 3.279 1.190 1.00 0.00 N ATOM 487 CA LYS A 46 16.961 2.551 0.007 1.00 0.00 C ATOM 488 C LYS A 46 15.809 2.365 -0.967 1.00 0.00 C ATOM 489 O LYS A 46 16.011 2.227 -2.172 1.00 0.00 O ATOM 490 CB LYS A 46 17.506 1.179 0.400 1.00 0.00 C ATOM 491 CG LYS A 46 18.867 1.228 1.064 1.00 0.00 C ATOM 492 CD LYS A 46 19.253 -0.118 1.662 1.00 0.00 C ATOM 493 CE LYS A 46 19.134 -1.236 0.640 1.00 0.00 C ATOM 494 NZ LYS A 46 19.500 -2.559 1.206 1.00 0.00 N ATOM 0 H LYS A 46 16.350 2.691 2.006 1.00 0.00 H new ATOM 0 HA LYS A 46 17.748 3.134 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.799 0.698 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.569 0.555 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.617 1.530 0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.862 1.986 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.276 -0.072 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.612 -0.335 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.111 -1.274 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 46 19.778 -1.017 -0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.095 -3.313 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.536 -2.653 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.126 -2.638 2.173 1.00 0.00 H new ATOM 508 N VAL A 47 14.601 2.392 -0.435 1.00 0.00 N ATOM 509 CA VAL A 47 13.425 1.988 -1.182 1.00 0.00 C ATOM 510 C VAL A 47 12.368 3.103 -1.188 1.00 0.00 C ATOM 511 O VAL A 47 11.162 2.853 -1.191 1.00 0.00 O ATOM 512 CB VAL A 47 12.870 0.667 -0.592 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.286 0.879 0.795 1.00 0.00 C ATOM 514 CG2 VAL A 47 11.859 0.016 -1.519 1.00 0.00 C ATOM 0 H VAL A 47 14.408 2.692 0.520 1.00 0.00 H new ATOM 0 HA VAL A 47 13.700 1.811 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 47 13.712 -0.018 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.906 -0.068 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.061 1.256 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.471 1.601 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.494 -0.907 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.023 0.696 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.333 -0.209 -2.474 1.00 0.00 H new ATOM 524 N ARG A 48 12.834 4.347 -1.170 1.00 0.00 N ATOM 525 CA ARG A 48 11.932 5.492 -1.156 1.00 0.00 C ATOM 526 C ARG A 48 11.126 5.592 -2.444 1.00 0.00 C ATOM 527 O ARG A 48 11.675 5.631 -3.548 1.00 0.00 O ATOM 528 CB ARG A 48 12.691 6.792 -0.902 1.00 0.00 C ATOM 529 CG ARG A 48 13.141 6.932 0.537 1.00 0.00 C ATOM 530 CD ARG A 48 13.755 8.292 0.814 1.00 0.00 C ATOM 531 NE ARG A 48 14.248 8.398 2.189 1.00 0.00 N ATOM 532 CZ ARG A 48 14.739 9.519 2.718 1.00 0.00 C ATOM 533 NH1 ARG A 48 14.750 10.642 2.011 1.00 0.00 N ATOM 534 NH2 ARG A 48 15.202 9.520 3.962 1.00 0.00 N ATOM 0 H ARG A 48 13.825 4.587 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 48 11.233 5.335 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.561 6.834 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.054 7.637 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.289 6.778 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.868 6.153 0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.576 8.468 0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.012 9.069 0.633 1.00 0.00 H new ATOM 0 HE ARG A 48 14.214 7.565 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.382 10.649 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.126 11.498 2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.182 8.663 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.577 10.378 4.366 1.00 0.00 H new ATOM 548 N GLY A 49 9.818 5.640 -2.272 1.00 0.00 N ATOM 549 CA GLY A 49 8.891 5.702 -3.385 1.00 0.00 C ATOM 550 C GLY A 49 7.465 5.726 -2.882 1.00 0.00 C ATOM 551 O GLY A 49 7.244 5.810 -1.679 1.00 0.00 O ATOM 0 H GLY A 49 9.369 5.637 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.088 6.593 -3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.039 4.842 -4.038 1.00 0.00 H new ATOM 555 N ILE A 50 6.493 5.666 -3.773 1.00 0.00 N ATOM 556 CA ILE A 50 5.104 5.590 -3.344 1.00 0.00 C ATOM 557 C ILE A 50 4.515 4.226 -3.676 1.00 0.00 C ATOM 558 O ILE A 50 4.561 3.780 -4.823 1.00 0.00 O ATOM 559 CB ILE A 50 4.245 6.701 -3.972 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.833 8.066 -3.617 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.801 6.596 -3.494 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.023 9.231 -4.126 1.00 0.00 C ATOM 0 H ILE A 50 6.633 5.668 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 50 5.094 5.733 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 50 4.249 6.585 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.920 8.142 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.842 8.133 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.209 7.390 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.392 5.628 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.769 6.695 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.505 10.164 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.957 9.181 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.021 9.191 -3.700 1.00 0.00 H new ATOM 574 N TYR A 51 3.969 3.572 -2.664 1.00 0.00 N ATOM 575 CA TYR A 51 3.482 2.209 -2.802 1.00 0.00 C ATOM 576 C TYR A 51 1.982 2.154 -2.588 1.00 0.00 C ATOM 577 O TYR A 51 1.491 2.380 -1.484 1.00 0.00 O ATOM 578 CB TYR A 51 4.212 1.294 -1.810 1.00 0.00 C ATOM 579 CG TYR A 51 5.704 1.282 -2.039 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.478 2.393 -1.731 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.328 0.187 -2.611 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.825 2.417 -2.000 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.682 0.198 -2.869 1.00 0.00 C ATOM 584 CZ TYR A 51 8.421 1.319 -2.568 1.00 0.00 C ATOM 585 OH TYR A 51 9.754 1.356 -2.861 1.00 0.00 O ATOM 0 H TYR A 51 3.851 3.967 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 51 3.687 1.860 -3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.005 1.625 -0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.824 0.279 -1.900 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.013 3.253 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.746 -0.688 -2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.411 3.294 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.160 -0.667 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 51 10.157 2.150 -2.452 1.00 0.00 H new ATOM 595 N GLY A 52 1.262 1.874 -3.657 1.00 0.00 N ATOM 596 CA GLY A 52 -0.174 1.776 -3.572 1.00 0.00 C ATOM 597 C GLY A 52 -0.612 0.357 -3.310 1.00 0.00 C ATOM 598 O GLY A 52 -0.443 -0.519 -4.154 1.00 0.00 O ATOM 0 H GLY A 52 1.649 1.712 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.538 2.424 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.620 2.131 -4.501 1.00 0.00 H new ATOM 602 N PHE A 53 -1.150 0.118 -2.132 1.00 0.00 N ATOM 603 CA PHE A 53 -1.599 -1.213 -1.771 1.00 0.00 C ATOM 604 C PHE A 53 -3.104 -1.340 -1.913 1.00 0.00 C ATOM 605 O PHE A 53 -3.872 -0.754 -1.145 1.00 0.00 O ATOM 606 CB PHE A 53 -1.169 -1.567 -0.351 1.00 0.00 C ATOM 607 CG PHE A 53 0.117 -2.342 -0.289 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.331 -1.735 -0.564 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.105 -3.686 0.050 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.510 -2.454 -0.502 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.278 -4.410 0.115 1.00 0.00 C ATOM 612 CZ PHE A 53 2.483 -3.794 -0.161 1.00 0.00 C ATOM 0 H PHE A 53 -1.287 0.825 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.131 -1.917 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.059 -0.649 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.958 -2.150 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.357 -0.689 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.835 -4.173 0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.451 -1.970 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.254 -5.456 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.403 -4.358 -0.111 1.00 0.00 H new ATOM 622 N LYS A 54 -3.512 -2.102 -2.912 1.00 0.00 N ATOM 623 CA LYS A 54 -4.913 -2.389 -3.139 1.00 0.00 C ATOM 624 C LYS A 54 -5.250 -3.741 -2.528 1.00 0.00 C ATOM 625 O LYS A 54 -4.966 -4.790 -3.111 1.00 0.00 O ATOM 626 CB LYS A 54 -5.227 -2.373 -4.638 1.00 0.00 C ATOM 627 CG LYS A 54 -5.125 -0.994 -5.266 1.00 0.00 C ATOM 628 CD LYS A 54 -5.526 -1.014 -6.731 1.00 0.00 C ATOM 629 CE LYS A 54 -5.445 0.373 -7.346 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.927 0.388 -8.749 1.00 0.00 N ATOM 0 H LYS A 54 -2.882 -2.537 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.524 -1.621 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.542 -3.048 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.234 -2.761 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.765 -0.298 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.103 -0.626 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.875 -1.695 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.542 -1.398 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.038 1.068 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.414 0.724 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.855 1.353 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.346 -0.256 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.919 0.078 -8.779 1.00 0.00 H new ATOM 644 N VAL A 55 -5.842 -3.710 -1.348 1.00 0.00 N ATOM 645 CA VAL A 55 -6.083 -4.922 -0.585 1.00 0.00 C ATOM 646 C VAL A 55 -7.521 -5.392 -0.763 1.00 0.00 C ATOM 647 O VAL A 55 -8.465 -4.629 -0.564 1.00 0.00 O ATOM 648 CB VAL A 55 -5.794 -4.703 0.913 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.772 -6.025 1.658 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.479 -3.962 1.104 1.00 0.00 C ATOM 0 H VAL A 55 -6.166 -2.855 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.406 -5.688 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.597 -4.092 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.566 -5.845 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.740 -6.516 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.994 -6.665 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.294 -3.818 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.667 -4.545 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.533 -2.992 0.610 1.00 0.00 H new ATOM 660 N ARG A 56 -7.682 -6.651 -1.141 1.00 0.00 N ATOM 661 CA ARG A 56 -9.000 -7.208 -1.402 1.00 0.00 C ATOM 662 C ARG A 56 -9.288 -8.356 -0.440 1.00 0.00 C ATOM 663 O ARG A 56 -8.428 -8.728 0.357 1.00 0.00 O ATOM 664 CB ARG A 56 -9.086 -7.701 -2.850 1.00 0.00 C ATOM 665 CG ARG A 56 -8.530 -6.711 -3.866 1.00 0.00 C ATOM 666 CD ARG A 56 -8.750 -7.184 -5.294 1.00 0.00 C ATOM 667 NE ARG A 56 -10.155 -7.090 -5.693 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.729 -7.864 -6.613 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.019 -8.785 -7.250 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.012 -7.703 -6.910 1.00 0.00 N ATOM 0 H ARG A 56 -6.913 -7.308 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.746 -6.428 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.543 -8.642 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.128 -7.911 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.007 -5.741 -3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.464 -6.570 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.140 -6.587 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.414 -8.217 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.733 -6.385 -5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.029 -8.903 -7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.463 -9.375 -7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.560 -6.986 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.451 -8.296 -7.614 1.00 0.00 H new ATOM 684 N ASN A 57 -10.499 -8.908 -0.518 1.00 0.00 N ATOM 685 CA ASN A 57 -10.899 -10.048 0.317 1.00 0.00 C ATOM 686 C ASN A 57 -10.804 -9.707 1.799 1.00 0.00 C ATOM 687 O ASN A 57 -10.252 -10.472 2.596 1.00 0.00 O ATOM 688 CB ASN A 57 -10.042 -11.280 0.009 1.00 0.00 C ATOM 689 CG ASN A 57 -10.363 -11.910 -1.334 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.797 -11.235 -2.268 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.145 -13.211 -1.436 1.00 0.00 N ATOM 0 H ASN A 57 -11.227 -8.583 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.938 -10.276 0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.990 -10.997 0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.187 -12.021 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.337 -13.693 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.784 -13.732 -0.637 1.00 0.00 H new ATOM 698 N GLY A 58 -11.331 -8.547 2.155 1.00 0.00 N ATOM 699 CA GLY A 58 -11.326 -8.116 3.539 1.00 0.00 C ATOM 700 C GLY A 58 -12.421 -8.765 4.369 1.00 0.00 C ATOM 701 O GLY A 58 -12.816 -9.899 4.093 1.00 0.00 O ATOM 0 H GLY A 58 -11.766 -7.891 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.357 -8.347 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.443 -7.033 3.577 1.00 0.00 H new ATOM 705 N PRO A 59 -12.933 -8.044 5.388 1.00 0.00 N ATOM 706 CA PRO A 59 -13.941 -8.546 6.332 1.00 0.00 C ATOM 707 C PRO A 59 -15.042 -9.381 5.683 1.00 0.00 C ATOM 708 O PRO A 59 -15.211 -10.553 6.004 1.00 0.00 O ATOM 709 CB PRO A 59 -14.531 -7.263 6.903 1.00 0.00 C ATOM 710 CG PRO A 59 -13.415 -6.282 6.872 1.00 0.00 C ATOM 711 CD PRO A 59 -12.533 -6.662 5.712 1.00 0.00 C ATOM 0 HA PRO A 59 -13.495 -9.219 7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.377 -6.918 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.896 -7.414 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.795 -5.268 6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.855 -6.304 7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.683 -5.995 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.478 -6.606 5.979 1.00 0.00 H new ATOM 719 N ASN A 60 -15.782 -8.775 4.768 1.00 0.00 N ATOM 720 CA ASN A 60 -16.868 -9.464 4.085 1.00 0.00 C ATOM 721 C ASN A 60 -16.762 -9.228 2.586 1.00 0.00 C ATOM 722 O ASN A 60 -17.602 -8.554 1.986 1.00 0.00 O ATOM 723 CB ASN A 60 -18.220 -8.972 4.611 1.00 0.00 C ATOM 724 CG ASN A 60 -19.390 -9.786 4.093 1.00 0.00 C ATOM 725 OD1 ASN A 60 -19.269 -10.984 3.839 1.00 0.00 O ATOM 726 ND2 ASN A 60 -20.533 -9.142 3.936 1.00 0.00 N ATOM 0 H ASN A 60 -15.651 -7.805 4.480 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.792 -10.534 4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.214 -9.007 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.356 -7.929 4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.355 -9.639 3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.593 -8.148 4.158 1.00 0.00 H new ATOM 733 N GLY A 61 -15.702 -9.760 1.990 1.00 0.00 N ATOM 734 CA GLY A 61 -15.448 -9.536 0.577 1.00 0.00 C ATOM 735 C GLY A 61 -15.133 -8.082 0.295 1.00 0.00 C ATOM 736 O GLY A 61 -15.322 -7.591 -0.819 1.00 0.00 O ATOM 0 H GLY A 61 -15.011 -10.344 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.615 -10.160 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.319 -9.840 -0.003 1.00 0.00 H new ATOM 740 N ALA A 62 -14.647 -7.397 1.321 1.00 0.00 N ATOM 741 CA ALA A 62 -14.393 -5.968 1.247 1.00 0.00 C ATOM 742 C ALA A 62 -13.069 -5.670 0.576 1.00 0.00 C ATOM 743 O ALA A 62 -12.223 -6.554 0.420 1.00 0.00 O ATOM 744 CB ALA A 62 -14.417 -5.364 2.640 1.00 0.00 C ATOM 0 H ALA A 62 -14.419 -7.815 2.223 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.181 -5.520 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.226 -4.293 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.394 -5.531 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.648 -5.834 3.253 1.00 0.00 H new ATOM 750 N GLU A 63 -12.900 -4.419 0.193 1.00 0.00 N ATOM 751 CA GLU A 63 -11.705 -3.977 -0.490 1.00 0.00 C ATOM 752 C GLU A 63 -11.269 -2.615 0.023 1.00 0.00 C ATOM 753 O GLU A 63 -12.101 -1.760 0.334 1.00 0.00 O ATOM 754 CB GLU A 63 -11.964 -3.933 -1.990 1.00 0.00 C ATOM 755 CG GLU A 63 -11.813 -5.285 -2.656 1.00 0.00 C ATOM 756 CD GLU A 63 -12.286 -5.293 -4.088 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.548 -4.806 -4.967 1.00 0.00 O ATOM 758 OE2 GLU A 63 -13.392 -5.802 -4.349 1.00 0.00 O ATOM 0 H GLU A 63 -13.589 -3.683 0.348 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.898 -4.682 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.971 -3.557 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.274 -3.227 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.766 -5.585 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.375 -6.028 -2.089 1.00 0.00 H new ATOM 765 N GLY A 64 -9.968 -2.429 0.118 1.00 0.00 N ATOM 766 CA GLY A 64 -9.425 -1.183 0.611 1.00 0.00 C ATOM 767 C GLY A 64 -8.202 -0.759 -0.169 1.00 0.00 C ATOM 768 O GLY A 64 -7.652 -1.544 -0.942 1.00 0.00 O ATOM 0 H GLY A 64 -9.269 -3.125 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.185 -0.404 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.166 -1.290 1.664 1.00 0.00 H new ATOM 772 N TYR A 65 -7.764 0.472 0.039 1.00 0.00 N ATOM 773 CA TYR A 65 -6.637 1.008 -0.703 1.00 0.00 C ATOM 774 C TYR A 65 -5.838 1.986 0.153 1.00 0.00 C ATOM 775 O TYR A 65 -6.345 3.038 0.550 1.00 0.00 O ATOM 776 CB TYR A 65 -7.139 1.693 -1.976 1.00 0.00 C ATOM 777 CG TYR A 65 -6.054 2.357 -2.790 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.901 1.670 -3.141 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.189 3.673 -3.211 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.912 2.274 -3.887 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.204 4.284 -3.959 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.067 3.581 -4.296 1.00 0.00 C ATOM 783 OH TYR A 65 -3.089 4.190 -5.048 1.00 0.00 O ATOM 0 H TYR A 65 -8.172 1.118 0.715 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.975 0.187 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.644 0.954 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.883 2.442 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.776 0.645 -2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.078 4.227 -2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.020 1.726 -4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.323 5.309 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.358 5.110 -5.252 1.00 0.00 H new ATOM 793 N TRP A 66 -4.590 1.634 0.430 1.00 0.00 N ATOM 794 CA TRP A 66 -3.713 2.485 1.222 1.00 0.00 C ATOM 795 C TRP A 66 -2.497 2.877 0.401 1.00 0.00 C ATOM 796 O TRP A 66 -1.986 2.088 -0.393 1.00 0.00 O ATOM 797 CB TRP A 66 -3.252 1.805 2.523 1.00 0.00 C ATOM 798 CG TRP A 66 -4.349 1.506 3.503 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.625 2.194 4.649 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.301 0.436 3.441 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.691 1.624 5.299 1.00 0.00 N ATOM 802 CE2 TRP A 66 -6.124 0.544 4.578 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.541 -0.597 2.534 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.164 -0.345 4.831 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.574 -1.478 2.787 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.374 -1.347 3.926 1.00 0.00 C ATOM 0 H TRP A 66 -4.161 0.763 0.117 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.287 3.370 1.497 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.747 0.873 2.269 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.515 2.445 3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -4.083 3.062 4.995 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -6.095 1.952 6.176 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.930 -0.706 1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.783 -0.247 5.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.767 -2.282 2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.174 -2.052 4.094 1.00 0.00 H new ATOM 817 N VAL A 67 -2.055 4.101 0.587 1.00 0.00 N ATOM 818 CA VAL A 67 -0.902 4.624 -0.113 1.00 0.00 C ATOM 819 C VAL A 67 0.260 4.830 0.846 1.00 0.00 C ATOM 820 O VAL A 67 0.180 5.655 1.757 1.00 0.00 O ATOM 821 CB VAL A 67 -1.246 5.963 -0.799 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.009 6.674 -1.267 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.196 5.742 -1.963 1.00 0.00 C ATOM 0 H VAL A 67 -2.487 4.764 1.230 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.612 3.897 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.741 6.597 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.263 7.614 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.653 6.876 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.540 6.043 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.425 6.699 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.729 5.082 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.117 5.286 -1.599 1.00 0.00 H new ATOM 833 N ILE A 68 1.325 4.071 0.654 1.00 0.00 N ATOM 834 CA ILE A 68 2.533 4.260 1.434 1.00 0.00 C ATOM 835 C ILE A 68 3.424 5.275 0.732 1.00 0.00 C ATOM 836 O ILE A 68 4.113 4.959 -0.241 1.00 0.00 O ATOM 837 CB ILE A 68 3.322 2.944 1.669 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.484 1.918 2.447 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.619 3.225 2.418 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.486 1.154 1.603 1.00 0.00 C ATOM 0 H ILE A 68 1.377 3.320 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 68 2.231 4.621 2.417 1.00 0.00 H new ATOM 0 HB ILE A 68 3.556 2.523 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.157 1.206 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.948 2.434 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.159 2.291 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.236 3.908 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.391 3.678 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.939 0.452 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.786 1.853 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.014 0.606 0.823 1.00 0.00 H new ATOM 852 N ASN A 69 3.375 6.503 1.211 1.00 0.00 N ATOM 853 CA ASN A 69 4.144 7.585 0.632 1.00 0.00 C ATOM 854 C ASN A 69 5.509 7.656 1.292 1.00 0.00 C ATOM 855 O ASN A 69 5.647 8.125 2.425 1.00 0.00 O ATOM 856 CB ASN A 69 3.418 8.922 0.804 1.00 0.00 C ATOM 857 CG ASN A 69 4.046 10.042 -0.013 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.249 10.038 -0.282 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.238 11.014 -0.403 1.00 0.00 N ATOM 0 H ASN A 69 2.803 6.777 2.010 1.00 0.00 H new ATOM 0 HA ASN A 69 4.263 7.390 -0.434 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.375 8.805 0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.423 9.200 1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.605 11.795 -0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.248 10.982 -0.161 1.00 0.00 H new ATOM 866 N ALA A 70 6.507 7.166 0.588 1.00 0.00 N ATOM 867 CA ALA A 70 7.881 7.256 1.038 1.00 0.00 C ATOM 868 C ALA A 70 8.680 8.134 0.085 1.00 0.00 C ATOM 869 O ALA A 70 9.909 8.110 0.084 1.00 0.00 O ATOM 870 CB ALA A 70 8.491 5.867 1.137 1.00 0.00 C ATOM 0 H ALA A 70 6.390 6.695 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 70 7.906 7.710 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.524 5.947 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.921 5.269 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.466 5.388 0.158 1.00 0.00 H new ATOM 876 N LYS A 71 7.965 8.916 -0.721 1.00 0.00 N ATOM 877 CA LYS A 71 8.588 9.803 -1.697 1.00 0.00 C ATOM 878 C LYS A 71 9.369 10.904 -0.987 1.00 0.00 C ATOM 879 O LYS A 71 10.466 11.278 -1.406 1.00 0.00 O ATOM 880 CB LYS A 71 7.515 10.419 -2.600 1.00 0.00 C ATOM 881 CG LYS A 71 8.061 11.293 -3.722 1.00 0.00 C ATOM 882 CD LYS A 71 8.839 10.487 -4.753 1.00 0.00 C ATOM 883 CE LYS A 71 7.965 9.431 -5.418 1.00 0.00 C ATOM 884 NZ LYS A 71 8.700 8.663 -6.455 1.00 0.00 N ATOM 0 H LYS A 71 6.946 8.952 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 71 9.279 9.224 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.921 9.616 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.840 11.016 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.235 11.808 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.709 12.061 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.240 11.158 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.690 10.005 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.588 8.745 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.099 9.913 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.405 7.666 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.489 9.057 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.722 8.727 -6.275 1.00 0.00 H new ATOM 898 N GLU A 72 8.794 11.414 0.092 1.00 0.00 N ATOM 899 CA GLU A 72 9.444 12.443 0.888 1.00 0.00 C ATOM 900 C GLU A 72 10.382 11.800 1.902 1.00 0.00 C ATOM 901 O GLU A 72 11.222 12.464 2.507 1.00 0.00 O ATOM 902 CB GLU A 72 8.396 13.302 1.597 1.00 0.00 C ATOM 903 CG GLU A 72 7.386 13.931 0.649 1.00 0.00 C ATOM 904 CD GLU A 72 8.033 14.856 -0.357 1.00 0.00 C ATOM 905 OE1 GLU A 72 8.482 15.952 0.040 1.00 0.00 O ATOM 906 OE2 GLU A 72 8.097 14.495 -1.551 1.00 0.00 O ATOM 0 H GLU A 72 7.877 11.131 0.437 1.00 0.00 H new ATOM 0 HA GLU A 72 10.029 13.086 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.866 12.688 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.901 14.092 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.849 13.143 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.648 14.487 1.227 1.00 0.00 H new ATOM 913 N GLY A 73 10.225 10.493 2.079 1.00 0.00 N ATOM 914 CA GLY A 73 11.108 9.748 2.951 1.00 0.00 C ATOM 915 C GLY A 73 10.511 9.489 4.315 1.00 0.00 C ATOM 916 O GLY A 73 11.217 9.072 5.235 1.00 0.00 O ATOM 0 H GLY A 73 9.498 9.936 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.354 8.796 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.042 10.297 3.068 1.00 0.00 H new ATOM 920 N LYS A 74 9.214 9.728 4.452 1.00 0.00 N ATOM 921 CA LYS A 74 8.548 9.540 5.734 1.00 0.00 C ATOM 922 C LYS A 74 8.087 8.099 5.921 1.00 0.00 C ATOM 923 O LYS A 74 8.158 7.556 7.024 1.00 0.00 O ATOM 924 CB LYS A 74 7.359 10.498 5.883 1.00 0.00 C ATOM 925 CG LYS A 74 7.733 11.979 5.862 1.00 0.00 C ATOM 926 CD LYS A 74 8.162 12.507 7.232 1.00 0.00 C ATOM 927 CE LYS A 74 9.493 11.929 7.694 1.00 0.00 C ATOM 928 NZ LYS A 74 9.968 12.554 8.955 1.00 0.00 N ATOM 0 H LYS A 74 8.606 10.050 3.699 1.00 0.00 H new ATOM 0 HA LYS A 74 9.278 9.766 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.649 10.304 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.847 10.279 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.543 12.133 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.881 12.558 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.237 13.594 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.392 12.268 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.389 10.854 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.241 12.074 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.877 12.130 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.093 13.576 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.268 12.394 9.707 1.00 0.00 H new ATOM 942 N GLY A 75 7.613 7.483 4.841 1.00 0.00 N ATOM 943 CA GLY A 75 7.211 6.090 4.911 1.00 0.00 C ATOM 944 C GLY A 75 5.821 5.910 5.488 1.00 0.00 C ATOM 945 O GLY A 75 5.560 4.931 6.183 1.00 0.00 O ATOM 0 H GLY A 75 7.501 7.920 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.244 5.656 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.927 5.540 5.521 1.00 0.00 H new ATOM 949 N LYS A 76 4.923 6.839 5.190 1.00 0.00 N ATOM 950 CA LYS A 76 3.609 6.843 5.820 1.00 0.00 C ATOM 951 C LYS A 76 2.580 6.165 4.931 1.00 0.00 C ATOM 952 O LYS A 76 2.674 6.224 3.712 1.00 0.00 O ATOM 953 CB LYS A 76 3.149 8.274 6.093 1.00 0.00 C ATOM 954 CG LYS A 76 2.866 9.071 4.827 1.00 0.00 C ATOM 955 CD LYS A 76 2.132 10.361 5.134 1.00 0.00 C ATOM 956 CE LYS A 76 1.872 11.172 3.876 1.00 0.00 C ATOM 957 NZ LYS A 76 1.179 12.450 4.181 1.00 0.00 N ATOM 0 H LYS A 76 5.078 7.594 4.522 1.00 0.00 H new ATOM 0 HA LYS A 76 3.695 6.297 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.248 8.247 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.914 8.789 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.805 9.297 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.271 8.467 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.185 10.133 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.718 10.955 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.818 11.381 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.267 10.586 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.018 12.977 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.266 12.250 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.767 13.020 4.822 1.00 0.00 H new ATOM 971 N VAL A 77 1.595 5.524 5.541 1.00 0.00 N ATOM 972 CA VAL A 77 0.524 4.903 4.785 1.00 0.00 C ATOM 973 C VAL A 77 -0.774 5.662 5.040 1.00 0.00 C ATOM 974 O VAL A 77 -1.052 6.077 6.169 1.00 0.00 O ATOM 975 CB VAL A 77 0.367 3.389 5.119 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.636 2.832 5.750 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.842 3.109 6.001 1.00 0.00 C ATOM 0 H VAL A 77 1.517 5.422 6.553 1.00 0.00 H new ATOM 0 HA VAL A 77 0.775 4.957 3.726 1.00 0.00 H new ATOM 0 HB VAL A 77 0.197 2.876 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.498 1.774 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.469 2.951 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.851 3.372 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.905 2.040 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.740 3.651 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.748 3.435 5.491 1.00 0.00 H new ATOM 987 N THR A 78 -1.534 5.893 3.987 1.00 0.00 N ATOM 988 CA THR A 78 -2.778 6.629 4.097 1.00 0.00 C ATOM 989 C THR A 78 -3.853 6.014 3.207 1.00 0.00 C ATOM 990 O THR A 78 -3.607 5.698 2.043 1.00 0.00 O ATOM 991 CB THR A 78 -2.569 8.122 3.740 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.823 8.816 3.730 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.880 8.279 2.390 1.00 0.00 C ATOM 0 H THR A 78 -1.310 5.580 3.042 1.00 0.00 H new ATOM 0 HA THR A 78 -3.113 6.568 5.132 1.00 0.00 H new ATOM 0 HB THR A 78 -1.925 8.557 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.674 9.758 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.748 9.338 2.170 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.906 7.791 2.420 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.492 7.820 1.614 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.038 5.821 3.768 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.160 5.271 3.020 1.00 0.00 C ATOM 1003 C TYR A 79 -6.634 6.283 1.988 1.00 0.00 C ATOM 1004 O TYR A 79 -7.016 7.399 2.342 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.303 4.896 3.970 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.513 4.302 3.277 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.550 2.956 2.933 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.619 5.086 2.971 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.653 2.410 2.304 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.725 4.547 2.342 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.738 3.210 2.011 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.840 2.670 1.387 1.00 0.00 O ATOM 0 H TYR A 79 -5.248 6.038 4.742 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.835 4.367 2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.931 4.182 4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.612 5.786 4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.703 2.326 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.614 6.135 3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.665 1.362 2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.575 5.171 2.111 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.515 3.368 1.254 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.605 5.879 0.717 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.914 6.773 -0.398 1.00 0.00 C ATOM 1024 C ASN A 80 -5.982 7.982 -0.346 1.00 0.00 C ATOM 1025 O ASN A 80 -6.387 9.086 0.017 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.385 7.219 -0.357 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.835 7.922 -1.631 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.040 8.543 -2.340 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -10.123 7.838 -1.924 1.00 0.00 N ATOM 0 H ASN A 80 -6.368 4.928 0.433 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.760 6.238 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.017 6.348 -0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.531 7.888 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.487 8.296 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.752 7.315 -1.314 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.724 7.750 -0.695 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.712 8.781 -0.577 1.00 0.00 C ATOM 1038 C GLY A 81 -3.910 9.937 -1.536 1.00 0.00 C ATOM 1039 O GLY A 81 -3.626 11.082 -1.197 1.00 0.00 O ATOM 0 H GLY A 81 -4.385 6.860 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.711 9.163 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.732 8.338 -0.752 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.390 9.640 -2.735 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.536 10.671 -3.747 1.00 0.00 C ATOM 1045 C GLY A 82 -3.234 10.913 -4.481 1.00 0.00 C ATOM 1046 O GLY A 82 -3.148 11.768 -5.364 1.00 0.00 O ATOM 0 H GLY A 82 -4.681 8.707 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.308 10.378 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.869 11.597 -3.279 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.217 10.152 -4.105 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.901 10.256 -4.714 1.00 0.00 C ATOM 1052 C GLU A 83 -0.789 9.289 -5.880 1.00 0.00 C ATOM 1053 O GLU A 83 -1.655 8.434 -6.074 1.00 0.00 O ATOM 1054 CB GLU A 83 0.186 9.925 -3.691 1.00 0.00 C ATOM 1055 CG GLU A 83 0.206 10.841 -2.482 1.00 0.00 C ATOM 1056 CD GLU A 83 0.497 12.281 -2.842 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.464 12.528 -3.595 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.238 13.172 -2.373 1.00 0.00 O ATOM 0 H GLU A 83 -2.281 9.447 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.768 11.278 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.049 8.898 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.158 9.971 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.757 10.786 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.959 10.488 -1.777 1.00 0.00 H new ATOM 1065 N LYS A 84 0.276 9.428 -6.649 1.00 0.00 N ATOM 1066 CA LYS A 84 0.572 8.491 -7.713 1.00 0.00 C ATOM 1067 C LYS A 84 1.636 7.507 -7.256 1.00 0.00 C ATOM 1068 O LYS A 84 2.809 7.867 -7.124 1.00 0.00 O ATOM 1069 CB LYS A 84 1.048 9.232 -8.949 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.028 10.092 -9.578 1.00 0.00 C ATOM 1071 CD LYS A 84 0.489 10.793 -10.811 1.00 0.00 C ATOM 1072 CE LYS A 84 1.519 11.841 -10.463 1.00 0.00 C ATOM 1073 NZ LYS A 84 2.113 12.461 -11.673 1.00 0.00 N ATOM 0 H LYS A 84 0.952 10.186 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.337 7.943 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.898 9.861 -8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.403 8.510 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.886 9.473 -9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.377 10.830 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.928 10.061 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.342 11.260 -11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.056 12.614 -9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.308 11.388 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.815 13.174 -11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.577 11.728 -12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.364 12.916 -12.233 1.00 0.00 H new ATOM 1087 N PRO A 85 1.244 6.256 -6.999 1.00 0.00 N ATOM 1088 CA PRO A 85 2.173 5.211 -6.589 1.00 0.00 C ATOM 1089 C PRO A 85 3.087 4.778 -7.723 1.00 0.00 C ATOM 1090 O PRO A 85 2.631 4.490 -8.831 1.00 0.00 O ATOM 1091 CB PRO A 85 1.271 4.049 -6.161 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.107 4.611 -6.093 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.135 5.761 -7.054 1.00 0.00 C ATOM 0 HA PRO A 85 2.835 5.557 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.324 3.228 -6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.579 3.650 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.848 3.859 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.343 4.942 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.412 5.443 -8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.852 6.524 -6.752 1.00 0.00 H new ATOM 1101 N ASP A 86 4.380 4.748 -7.433 1.00 0.00 N ATOM 1102 CA ASP A 86 5.374 4.283 -8.388 1.00 0.00 C ATOM 1103 C ASP A 86 5.200 2.788 -8.630 1.00 0.00 C ATOM 1104 O ASP A 86 5.526 2.275 -9.700 1.00 0.00 O ATOM 1105 CB ASP A 86 6.787 4.575 -7.876 1.00 0.00 C ATOM 1106 CG ASP A 86 7.032 6.047 -7.624 1.00 0.00 C ATOM 1107 OD1 ASP A 86 7.160 6.813 -8.602 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.095 6.450 -6.443 1.00 0.00 O ATOM 0 H ASP A 86 4.767 5.043 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 86 5.232 4.815 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.955 4.021 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.513 4.211 -8.602 1.00 0.00 H new ATOM 1113 N VAL A 87 4.695 2.096 -7.610 1.00 0.00 N ATOM 1114 CA VAL A 87 4.308 0.696 -7.729 1.00 0.00 C ATOM 1115 C VAL A 87 3.005 0.444 -6.976 1.00 0.00 C ATOM 1116 O VAL A 87 2.794 0.971 -5.882 1.00 0.00 O ATOM 1117 CB VAL A 87 5.381 -0.286 -7.196 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.551 -0.437 -8.147 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.871 0.135 -5.830 1.00 0.00 C ATOM 0 H VAL A 87 4.544 2.491 -6.682 1.00 0.00 H new ATOM 0 HA VAL A 87 4.187 0.508 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 87 4.897 -1.260 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.274 -1.136 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.195 -0.816 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.027 0.532 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.623 -0.572 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.310 1.131 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.034 0.150 -5.132 1.00 0.00 H new ATOM 1129 N THR A 88 2.129 -0.343 -7.575 1.00 0.00 N ATOM 1130 CA THR A 88 0.872 -0.712 -6.946 1.00 0.00 C ATOM 1131 C THR A 88 0.772 -2.227 -6.818 1.00 0.00 C ATOM 1132 O THR A 88 0.995 -2.951 -7.786 1.00 0.00 O ATOM 1133 CB THR A 88 -0.326 -0.182 -7.758 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.188 1.231 -7.940 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.649 -0.481 -7.058 1.00 0.00 C ATOM 0 H THR A 88 2.266 -0.742 -8.504 1.00 0.00 H new ATOM 0 HA THR A 88 0.847 -0.263 -5.953 1.00 0.00 H new ATOM 0 HB THR A 88 -0.334 -0.686 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.948 1.570 -8.458 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.473 -0.094 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.762 -1.559 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.658 -0.004 -6.078 1.00 0.00 H new ATOM 1143 N PHE A 89 0.458 -2.697 -5.620 1.00 0.00 N ATOM 1144 CA PHE A 89 0.338 -4.124 -5.363 1.00 0.00 C ATOM 1145 C PHE A 89 -1.089 -4.465 -4.968 1.00 0.00 C ATOM 1146 O PHE A 89 -1.651 -3.856 -4.059 1.00 0.00 O ATOM 1147 CB PHE A 89 1.293 -4.566 -4.248 1.00 0.00 C ATOM 1148 CG PHE A 89 2.737 -4.267 -4.522 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.275 -3.033 -4.199 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.560 -5.221 -5.097 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.604 -2.757 -4.446 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.890 -4.950 -5.347 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.412 -3.716 -5.022 1.00 0.00 C ATOM 0 H PHE A 89 0.281 -2.107 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 89 0.602 -4.653 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.002 -4.075 -3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.179 -5.639 -4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.647 -2.278 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.156 -6.189 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.012 -1.791 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.521 -5.703 -5.796 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.452 -3.500 -5.218 1.00 0.00 H new ATOM 1163 N THR A 90 -1.675 -5.418 -5.667 1.00 0.00 N ATOM 1164 CA THR A 90 -3.003 -5.901 -5.336 1.00 0.00 C ATOM 1165 C THR A 90 -2.888 -7.240 -4.620 1.00 0.00 C ATOM 1166 O THR A 90 -2.250 -8.162 -5.132 1.00 0.00 O ATOM 1167 CB THR A 90 -3.853 -6.062 -6.605 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.592 -4.971 -7.499 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.334 -6.097 -6.272 1.00 0.00 C ATOM 0 H THR A 90 -1.249 -5.876 -6.473 1.00 0.00 H new ATOM 0 HA THR A 90 -3.490 -5.175 -4.685 1.00 0.00 H new ATOM 0 HB THR A 90 -3.584 -7.006 -7.078 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.726 -5.108 -7.938 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.911 -6.212 -7.190 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.538 -6.937 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.618 -5.167 -5.779 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.484 -7.337 -3.439 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.345 -8.523 -2.602 1.00 0.00 C ATOM 1179 C ILE A 91 -4.511 -8.648 -1.630 1.00 0.00 C ATOM 1180 O ILE A 91 -5.114 -7.657 -1.229 1.00 0.00 O ATOM 1181 CB ILE A 91 -1.993 -8.491 -1.838 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.038 -9.529 -2.416 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.165 -8.721 -0.345 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.417 -10.960 -2.088 1.00 0.00 C ATOM 0 H ILE A 91 -4.071 -6.606 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.356 -9.399 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.575 -7.493 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.001 -9.412 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.034 -9.334 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.191 -8.689 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.805 -7.943 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.623 -9.696 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.691 -11.640 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.425 -11.095 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.408 -11.175 -2.488 1.00 0.00 H new ATOM 1196 N SER A 92 -4.829 -9.880 -1.287 1.00 0.00 N ATOM 1197 CA SER A 92 -5.885 -10.185 -0.347 1.00 0.00 C ATOM 1198 C SER A 92 -5.430 -9.958 1.094 1.00 0.00 C ATOM 1199 O SER A 92 -4.303 -10.287 1.465 1.00 0.00 O ATOM 1200 CB SER A 92 -6.280 -11.639 -0.556 1.00 0.00 C ATOM 1201 OG SER A 92 -5.280 -12.304 -1.315 1.00 0.00 O ATOM 0 H SER A 92 -4.356 -10.704 -1.657 1.00 0.00 H new ATOM 0 HA SER A 92 -6.735 -9.525 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.407 -12.133 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.239 -11.695 -1.072 1.00 0.00 H new ATOM 0 HG SER A 92 -5.054 -13.155 -0.884 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.338 -9.397 1.893 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.119 -9.144 3.323 1.00 0.00 C ATOM 1209 C ASP A 93 -5.655 -10.402 4.041 1.00 0.00 C ATOM 1210 O ASP A 93 -4.919 -10.347 5.025 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.428 -8.654 3.951 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.337 -8.462 5.453 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -6.717 -7.478 5.893 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -7.910 -9.288 6.198 1.00 0.00 O ATOM 0 H ASP A 93 -7.257 -9.101 1.565 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.341 -8.387 3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.714 -7.710 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.219 -9.370 3.730 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.095 -11.531 3.520 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.775 -12.829 4.084 1.00 0.00 C ATOM 1221 C GLU A 94 -4.298 -13.147 3.889 1.00 0.00 C ATOM 1222 O GLU A 94 -3.648 -13.693 4.773 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.623 -13.904 3.404 1.00 0.00 C ATOM 1224 CG GLU A 94 -7.990 -13.408 2.956 1.00 0.00 C ATOM 1225 CD GLU A 94 -8.882 -14.522 2.463 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.552 -15.140 1.428 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.918 -14.782 3.106 1.00 0.00 O ATOM 0 H GLU A 94 -6.687 -11.574 2.690 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.991 -12.810 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.083 -14.287 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.756 -14.739 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.477 -12.899 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.863 -12.672 2.162 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.779 -12.784 2.725 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.416 -13.132 2.344 1.00 0.00 C ATOM 1236 C ASP A 95 -1.429 -12.064 2.779 1.00 0.00 C ATOM 1237 O ASP A 95 -0.248 -12.347 2.990 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.323 -13.330 0.832 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.129 -14.516 0.354 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -2.575 -15.633 0.309 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.324 -14.335 0.027 1.00 0.00 O ATOM 0 H ASP A 95 -4.285 -12.244 2.023 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.159 -14.063 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.674 -12.429 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.279 -13.467 0.550 1.00 0.00 H new ATOM 1246 N VAL A 96 -1.913 -10.835 2.917 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.056 -9.714 3.283 1.00 0.00 C ATOM 1248 C VAL A 96 -0.355 -9.990 4.611 1.00 0.00 C ATOM 1249 O VAL A 96 0.782 -9.578 4.824 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.853 -8.385 3.387 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.112 -8.001 4.839 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.141 -7.251 2.666 1.00 0.00 C ATOM 0 H VAL A 96 -2.894 -10.590 2.781 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.315 -9.605 2.491 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.813 -8.553 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.672 -7.066 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.688 -8.788 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.161 -7.874 5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.726 -6.336 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.157 -7.099 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.028 -7.504 1.612 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.036 -10.717 5.489 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.538 -10.946 6.834 1.00 0.00 C ATOM 1264 C VAL A 97 0.685 -11.848 6.809 1.00 0.00 C ATOM 1265 O VAL A 97 1.553 -11.755 7.674 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.626 -11.551 7.752 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.910 -10.756 7.627 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.881 -13.019 7.431 1.00 0.00 C ATOM 0 H VAL A 97 -1.935 -11.157 5.291 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.255 -9.976 7.243 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.265 -11.496 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.671 -11.189 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.728 -9.722 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.256 -10.784 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.651 -13.409 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.213 -13.113 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.961 -13.587 7.569 1.00 0.00 H new ATOM 1278 N ASP A 98 0.761 -12.706 5.802 1.00 0.00 N ATOM 1279 CA ASP A 98 1.914 -13.557 5.630 1.00 0.00 C ATOM 1280 C ASP A 98 3.007 -12.764 4.943 1.00 0.00 C ATOM 1281 O ASP A 98 4.181 -12.898 5.262 1.00 0.00 O ATOM 1282 CB ASP A 98 1.581 -14.795 4.795 1.00 0.00 C ATOM 1283 CG ASP A 98 0.479 -15.645 5.386 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.749 -16.381 6.359 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.654 -15.601 4.865 1.00 0.00 O ATOM 0 H ASP A 98 0.035 -12.826 5.096 1.00 0.00 H new ATOM 0 HA ASP A 98 2.243 -13.896 6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.288 -14.480 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.479 -15.403 4.687 1.00 0.00 H new ATOM 1290 N LEU A 99 2.598 -11.914 4.014 1.00 0.00 N ATOM 1291 CA LEU A 99 3.537 -11.101 3.251 1.00 0.00 C ATOM 1292 C LEU A 99 4.275 -10.129 4.162 1.00 0.00 C ATOM 1293 O LEU A 99 5.503 -10.047 4.137 1.00 0.00 O ATOM 1294 CB LEU A 99 2.803 -10.326 2.153 1.00 0.00 C ATOM 1295 CG LEU A 99 2.261 -11.175 1.002 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.424 -10.325 0.066 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.399 -11.829 0.237 1.00 0.00 C ATOM 0 H LEU A 99 1.619 -11.768 3.768 1.00 0.00 H new ATOM 0 HA LEU A 99 4.265 -11.769 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.972 -9.786 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.483 -9.579 1.743 1.00 0.00 H new ATOM 0 HG LEU A 99 1.631 -11.958 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.046 -10.944 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.586 -9.896 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.038 -9.523 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.993 -12.429 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.053 -11.059 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.969 -12.470 0.910 1.00 0.00 H new ATOM 1309 N ILE A 100 3.515 -9.425 4.986 1.00 0.00 N ATOM 1310 CA ILE A 100 4.064 -8.401 5.864 1.00 0.00 C ATOM 1311 C ILE A 100 4.840 -9.018 7.031 1.00 0.00 C ATOM 1312 O ILE A 100 5.749 -8.399 7.582 1.00 0.00 O ATOM 1313 CB ILE A 100 2.936 -7.479 6.390 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.173 -6.882 5.199 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.499 -6.384 7.291 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.166 -5.819 5.571 1.00 0.00 C ATOM 0 H ILE A 100 2.505 -9.545 5.066 1.00 0.00 H new ATOM 0 HA ILE A 100 4.764 -7.803 5.280 1.00 0.00 H new ATOM 0 HB ILE A 100 2.245 -8.067 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.892 -6.455 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.657 -7.686 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.686 -5.751 7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.004 -6.838 8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.210 -5.779 6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.674 -5.453 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.421 -6.243 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.675 -4.993 6.067 1.00 0.00 H new ATOM 1328 N SER A 101 4.503 -10.250 7.385 1.00 0.00 N ATOM 1329 CA SER A 101 5.163 -10.924 8.497 1.00 0.00 C ATOM 1330 C SER A 101 6.403 -11.686 8.024 1.00 0.00 C ATOM 1331 O SER A 101 7.201 -12.156 8.835 1.00 0.00 O ATOM 1332 CB SER A 101 4.184 -11.875 9.190 1.00 0.00 C ATOM 1333 OG SER A 101 4.755 -12.458 10.349 1.00 0.00 O ATOM 0 H SER A 101 3.781 -10.802 6.922 1.00 0.00 H new ATOM 0 HA SER A 101 5.488 -10.167 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.280 -11.331 9.463 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.886 -12.661 8.496 1.00 0.00 H new ATOM 0 HG SER A 101 5.725 -12.532 10.234 1.00 0.00 H new ATOM 1339 N GLY A 102 6.572 -11.793 6.711 1.00 0.00 N ATOM 1340 CA GLY A 102 7.718 -12.506 6.172 1.00 0.00 C ATOM 1341 C GLY A 102 7.458 -13.992 6.042 1.00 0.00 C ATOM 1342 O GLY A 102 8.384 -14.789 5.896 1.00 0.00 O ATOM 0 H GLY A 102 5.940 -11.402 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.971 -12.096 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.581 -12.345 6.818 1.00 0.00 H new ATOM 1346 N LYS A 103 6.189 -14.362 6.088 1.00 0.00 N ATOM 1347 CA LYS A 103 5.782 -15.757 6.008 1.00 0.00 C ATOM 1348 C LYS A 103 5.560 -16.172 4.561 1.00 0.00 C ATOM 1349 O LYS A 103 5.981 -17.248 4.139 1.00 0.00 O ATOM 1350 CB LYS A 103 4.485 -15.961 6.787 1.00 0.00 C ATOM 1351 CG LYS A 103 4.635 -15.826 8.295 1.00 0.00 C ATOM 1352 CD LYS A 103 3.282 -15.844 8.998 1.00 0.00 C ATOM 1353 CE LYS A 103 2.564 -17.172 8.814 1.00 0.00 C ATOM 1354 NZ LYS A 103 1.211 -17.167 9.430 1.00 0.00 N ATOM 0 H LYS A 103 5.413 -13.707 6.182 1.00 0.00 H new ATOM 0 HA LYS A 103 6.576 -16.369 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.748 -15.236 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.090 -16.951 6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.253 -16.640 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.154 -14.896 8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.423 -15.652 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.660 -15.038 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.476 -17.392 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.160 -17.970 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.758 -18.091 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.295 -16.983 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.632 -16.423 8.991 1.00 0.00 H new ATOM 1368 N LEU A 104 4.915 -15.300 3.805 1.00 0.00 N ATOM 1369 CA LEU A 104 4.599 -15.581 2.417 1.00 0.00 C ATOM 1370 C LEU A 104 5.505 -14.795 1.487 1.00 0.00 C ATOM 1371 O LEU A 104 5.652 -13.580 1.623 1.00 0.00 O ATOM 1372 CB LEU A 104 3.130 -15.245 2.150 1.00 0.00 C ATOM 1373 CG LEU A 104 2.667 -15.327 0.695 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.872 -16.724 0.143 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.205 -14.918 0.582 1.00 0.00 C ATOM 0 H LEU A 104 4.599 -14.387 4.132 1.00 0.00 H new ATOM 0 HA LEU A 104 4.764 -16.641 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.512 -15.919 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.939 -14.235 2.513 1.00 0.00 H new ATOM 0 HG LEU A 104 3.269 -14.637 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.536 -16.759 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.930 -16.982 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.298 -17.437 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.889 -14.981 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.593 -15.585 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.085 -13.894 0.936 1.00 0.00 H new ATOM 1387 N ASN A 105 6.126 -15.504 0.560 1.00 0.00 N ATOM 1388 CA ASN A 105 6.959 -14.883 -0.457 1.00 0.00 C ATOM 1389 C ASN A 105 6.096 -14.161 -1.485 1.00 0.00 C ATOM 1390 O ASN A 105 5.209 -14.763 -2.096 1.00 0.00 O ATOM 1391 CB ASN A 105 7.821 -15.942 -1.155 1.00 0.00 C ATOM 1392 CG ASN A 105 8.992 -16.395 -0.305 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.875 -17.331 0.485 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.136 -15.746 -0.472 1.00 0.00 N ATOM 0 H ASN A 105 6.068 -16.520 0.490 1.00 0.00 H new ATOM 0 HA ASN A 105 7.610 -14.156 0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.201 -16.804 -1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.195 -15.538 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.960 -16.018 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.192 -14.975 -1.137 1.00 0.00 H new ATOM 1401 N PRO A 106 6.342 -12.856 -1.693 1.00 0.00 N ATOM 1402 CA PRO A 106 5.629 -12.078 -2.701 1.00 0.00 C ATOM 1403 C PRO A 106 5.967 -12.583 -4.090 1.00 0.00 C ATOM 1404 O PRO A 106 5.184 -12.445 -5.024 1.00 0.00 O ATOM 1405 CB PRO A 106 6.111 -10.636 -2.510 1.00 0.00 C ATOM 1406 CG PRO A 106 6.961 -10.630 -1.280 1.00 0.00 C ATOM 1407 CD PRO A 106 7.343 -12.053 -0.974 1.00 0.00 C ATOM 0 HA PRO A 106 4.547 -12.157 -2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.681 -10.300 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.266 -9.956 -2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.852 -10.021 -1.435 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.417 -10.193 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.354 -12.277 -1.316 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.318 -12.251 0.098 1.00 0.00 H new ATOM 1415 N GLN A 107 7.138 -13.192 -4.190 1.00 0.00 N ATOM 1416 CA GLN A 107 7.573 -13.862 -5.395 1.00 0.00 C ATOM 1417 C GLN A 107 6.580 -14.945 -5.804 1.00 0.00 C ATOM 1418 O GLN A 107 5.982 -14.882 -6.878 1.00 0.00 O ATOM 1419 CB GLN A 107 8.928 -14.502 -5.148 1.00 0.00 C ATOM 1420 CG GLN A 107 10.041 -13.511 -4.854 1.00 0.00 C ATOM 1421 CD GLN A 107 11.338 -14.201 -4.484 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.580 -14.502 -3.316 1.00 0.00 O ATOM 1423 NE2 GLN A 107 12.181 -14.452 -5.473 1.00 0.00 N ATOM 0 H GLN A 107 7.815 -13.233 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 107 7.639 -13.126 -6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.843 -15.194 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.203 -15.092 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.203 -12.880 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.735 -12.855 -4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.941 -14.186 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.071 -14.912 -5.280 1.00 0.00 H new ATOM 1432 N LYS A 108 6.400 -15.931 -4.928 1.00 0.00 N ATOM 1433 CA LYS A 108 5.499 -17.038 -5.211 1.00 0.00 C ATOM 1434 C LYS A 108 4.078 -16.530 -5.358 1.00 0.00 C ATOM 1435 O LYS A 108 3.312 -17.025 -6.175 1.00 0.00 O ATOM 1436 CB LYS A 108 5.567 -18.107 -4.108 1.00 0.00 C ATOM 1437 CG LYS A 108 4.812 -17.758 -2.827 1.00 0.00 C ATOM 1438 CD LYS A 108 3.681 -18.738 -2.542 1.00 0.00 C ATOM 1439 CE LYS A 108 2.400 -18.361 -3.272 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.613 -17.327 -2.557 1.00 0.00 N ATOM 0 H LYS A 108 6.865 -15.983 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 108 5.814 -17.498 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.170 -19.042 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.613 -18.285 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.507 -17.753 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.405 -16.750 -2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.987 -19.741 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.491 -18.769 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.649 -17.997 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.786 -19.252 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.779 -17.072 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.306 -17.700 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.202 -16.483 -2.410 1.00 0.00 H new ATOM 1454 N ALA A 109 3.731 -15.522 -4.570 1.00 0.00 N ATOM 1455 CA ALA A 109 2.373 -15.009 -4.578 1.00 0.00 C ATOM 1456 C ALA A 109 2.092 -14.303 -5.896 1.00 0.00 C ATOM 1457 O ALA A 109 0.967 -14.310 -6.388 1.00 0.00 O ATOM 1458 CB ALA A 109 2.135 -14.072 -3.406 1.00 0.00 C ATOM 0 H ALA A 109 4.364 -15.049 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 109 1.687 -15.849 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.110 -13.703 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.299 -14.609 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.825 -13.231 -3.467 1.00 0.00 H new ATOM 1464 N PHE A 110 3.132 -13.695 -6.456 1.00 0.00 N ATOM 1465 CA PHE A 110 3.051 -13.075 -7.768 1.00 0.00 C ATOM 1466 C PHE A 110 2.748 -14.135 -8.819 1.00 0.00 C ATOM 1467 O PHE A 110 1.816 -14.000 -9.613 1.00 0.00 O ATOM 1468 CB PHE A 110 4.378 -12.371 -8.102 1.00 0.00 C ATOM 1469 CG PHE A 110 4.421 -11.707 -9.456 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.754 -12.431 -10.592 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.144 -10.355 -9.589 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.804 -11.821 -11.831 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.194 -9.740 -10.825 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.523 -10.474 -11.946 1.00 0.00 C ATOM 0 H PHE A 110 4.048 -13.620 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 110 2.251 -12.335 -7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.576 -11.619 -7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.185 -13.102 -8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.977 -13.484 -10.507 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.886 -9.775 -8.715 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.062 -12.397 -12.708 1.00 0.00 H new ATOM 0 HE2 PHE A 110 3.976 -8.686 -10.914 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.561 -9.995 -12.913 1.00 0.00 H new ATOM 1484 N PHE A 111 3.537 -15.202 -8.783 1.00 0.00 N ATOM 1485 CA PHE A 111 3.435 -16.289 -9.748 1.00 0.00 C ATOM 1486 C PHE A 111 2.095 -17.013 -9.622 1.00 0.00 C ATOM 1487 O PHE A 111 1.554 -17.510 -10.606 1.00 0.00 O ATOM 1488 CB PHE A 111 4.591 -17.271 -9.533 1.00 0.00 C ATOM 1489 CG PHE A 111 4.731 -18.298 -10.621 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.230 -17.943 -11.863 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.374 -19.618 -10.399 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.368 -18.883 -12.864 1.00 0.00 C ATOM 1493 CE2 PHE A 111 4.510 -20.562 -11.397 1.00 0.00 C ATOM 1494 CZ PHE A 111 5.008 -20.196 -12.631 1.00 0.00 C ATOM 0 H PHE A 111 4.266 -15.338 -8.083 1.00 0.00 H new ATOM 0 HA PHE A 111 3.494 -15.870 -10.753 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.522 -16.709 -9.456 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.448 -17.782 -8.581 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.515 -16.918 -12.051 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.985 -19.912 -9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.757 -18.592 -13.829 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.227 -21.588 -11.212 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.116 -20.934 -13.412 1.00 0.00 H new ATOM 1504 N GLN A 112 1.566 -17.064 -8.407 1.00 0.00 N ATOM 1505 CA GLN A 112 0.298 -17.729 -8.143 1.00 0.00 C ATOM 1506 C GLN A 112 -0.898 -16.818 -8.432 1.00 0.00 C ATOM 1507 O GLN A 112 -2.049 -17.208 -8.232 1.00 0.00 O ATOM 1508 CB GLN A 112 0.276 -18.205 -6.695 1.00 0.00 C ATOM 1509 CG GLN A 112 1.281 -19.309 -6.415 1.00 0.00 C ATOM 1510 CD GLN A 112 1.002 -20.575 -7.199 1.00 0.00 C ATOM 1511 OE1 GLN A 112 0.290 -21.463 -6.733 1.00 0.00 O ATOM 1512 NE2 GLN A 112 1.563 -20.668 -8.392 1.00 0.00 N ATOM 0 H GLN A 112 2.000 -16.649 -7.583 1.00 0.00 H new ATOM 0 HA GLN A 112 0.211 -18.584 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.481 -17.360 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.725 -18.562 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.282 -18.952 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.273 -19.539 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.147 -19.908 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.412 -21.499 -8.963 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.620 -15.607 -8.896 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.682 -14.706 -9.309 1.00 0.00 C ATOM 1523 C GLY A 113 -2.340 -13.978 -8.152 1.00 0.00 C ATOM 1524 O GLY A 113 -3.392 -13.364 -8.321 1.00 0.00 O ATOM 0 H GLY A 113 0.323 -15.231 -8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.276 -13.973 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.440 -15.273 -9.849 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.730 -14.044 -6.979 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.257 -13.348 -5.814 1.00 0.00 C ATOM 1530 C LYS A 114 -1.730 -11.927 -5.761 1.00 0.00 C ATOM 1531 O LYS A 114 -2.475 -10.989 -5.487 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.906 -14.101 -4.525 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.859 -15.247 -4.206 1.00 0.00 C ATOM 1534 CD LYS A 114 -4.073 -14.806 -3.386 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.847 -13.669 -4.042 1.00 0.00 C ATOM 1536 NZ LYS A 114 -6.216 -13.531 -3.485 1.00 0.00 N ATOM 0 H LYS A 114 -0.873 -14.570 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.343 -13.311 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.893 -14.495 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.906 -13.398 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.201 -15.697 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.319 -16.019 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.738 -15.658 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.742 -14.491 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.304 -12.734 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.909 -13.846 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.746 -12.828 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.704 -14.448 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.158 -13.220 -2.494 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.448 -11.778 -6.037 1.00 0.00 N ATOM 1551 CA ILE A 115 0.178 -10.472 -6.060 1.00 0.00 C ATOM 1552 C ILE A 115 0.112 -9.886 -7.468 1.00 0.00 C ATOM 1553 O ILE A 115 0.657 -10.443 -8.426 1.00 0.00 O ATOM 1554 CB ILE A 115 1.633 -10.550 -5.515 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.712 -9.908 -4.145 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.628 -9.857 -6.411 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.874 -10.389 -3.326 1.00 0.00 C ATOM 0 H ILE A 115 0.182 -12.551 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.368 -9.798 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 115 1.886 -11.609 -5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.783 -8.827 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.788 -10.110 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.626 -9.943 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.616 -10.322 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.363 -8.804 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.869 -9.888 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.794 -11.466 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.805 -10.163 -3.847 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.634 -8.799 -7.597 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.737 -8.093 -8.861 1.00 0.00 C ATOM 1571 C LYS A 116 -0.057 -6.738 -8.740 1.00 0.00 C ATOM 1572 O LYS A 116 -0.621 -5.796 -8.183 1.00 0.00 O ATOM 1573 CB LYS A 116 -2.203 -7.901 -9.270 1.00 0.00 C ATOM 1574 CG LYS A 116 -3.044 -9.169 -9.211 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.482 -10.261 -10.106 1.00 0.00 C ATOM 1576 CE LYS A 116 -2.443 -9.837 -11.566 1.00 0.00 C ATOM 1577 NZ LYS A 116 -1.917 -10.914 -12.445 1.00 0.00 N ATOM 0 H LYS A 116 -1.178 -8.387 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.245 -8.689 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.653 -7.150 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.235 -7.505 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.088 -9.528 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.066 -8.942 -9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.475 -10.518 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.090 -11.160 -10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.447 -9.562 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.820 -8.948 -11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.907 -10.584 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.950 -11.159 -12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.526 -11.754 -12.367 1.00 0.00 H new ATOM 1591 N ILE A 117 1.163 -6.660 -9.234 1.00 0.00 N ATOM 1592 CA ILE A 117 1.945 -5.444 -9.162 1.00 0.00 C ATOM 1593 C ILE A 117 2.278 -4.940 -10.565 1.00 0.00 C ATOM 1594 O ILE A 117 2.602 -5.722 -11.464 1.00 0.00 O ATOM 1595 CB ILE A 117 3.221 -5.673 -8.304 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.426 -4.883 -8.807 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.562 -7.148 -8.220 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.375 -3.403 -8.493 1.00 0.00 C ATOM 0 H ILE A 117 1.638 -7.436 -9.695 1.00 0.00 H new ATOM 0 HA ILE A 117 1.357 -4.669 -8.671 1.00 0.00 H new ATOM 0 HB ILE A 117 2.987 -5.301 -7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.331 -5.305 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.505 -5.011 -9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.458 -7.280 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.733 -7.688 -7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.740 -7.538 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.268 -2.917 -8.885 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.491 -2.963 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.329 -3.262 -7.413 1.00 0.00 H new ATOM 1610 N GLN A 118 2.179 -3.629 -10.738 1.00 0.00 N ATOM 1611 CA GLN A 118 2.348 -2.990 -12.031 1.00 0.00 C ATOM 1612 C GLN A 118 2.991 -1.628 -11.818 1.00 0.00 C ATOM 1613 O GLN A 118 2.311 -0.603 -11.740 1.00 0.00 O ATOM 1614 CB GLN A 118 0.990 -2.849 -12.729 1.00 0.00 C ATOM 1615 CG GLN A 118 1.071 -2.239 -14.117 1.00 0.00 C ATOM 1616 CD GLN A 118 -0.293 -2.069 -14.759 1.00 0.00 C ATOM 1617 OE1 GLN A 118 -1.221 -2.835 -14.496 1.00 0.00 O ATOM 1618 NE2 GLN A 118 -0.427 -1.062 -15.605 1.00 0.00 N ATOM 0 H GLN A 118 1.978 -2.977 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 118 2.990 -3.597 -12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.526 -3.833 -12.802 1.00 0.00 H new ATOM 0 HB3 GLN A 118 0.337 -2.234 -12.110 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.563 -1.268 -14.055 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.691 -2.871 -14.752 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.365 -0.449 -15.797 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.322 -0.898 -16.065 1.00 0.00 H new ATOM 1627 N GLY A 119 4.301 -1.635 -11.679 1.00 0.00 N ATOM 1628 CA GLY A 119 5.016 -0.442 -11.298 1.00 0.00 C ATOM 1629 C GLY A 119 6.483 -0.532 -11.635 1.00 0.00 C ATOM 1630 O GLY A 119 6.953 -1.580 -12.082 1.00 0.00 O ATOM 0 H GLY A 119 4.889 -2.455 -11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.580 0.419 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.899 -0.276 -10.227 1.00 0.00 H new ATOM 1634 N ASN A 120 7.193 0.576 -11.459 1.00 0.00 N ATOM 1635 CA ASN A 120 8.633 0.624 -11.712 1.00 0.00 C ATOM 1636 C ASN A 120 9.332 -0.529 -10.999 1.00 0.00 C ATOM 1637 O ASN A 120 9.364 -0.590 -9.768 1.00 0.00 O ATOM 1638 CB ASN A 120 9.221 1.959 -11.247 1.00 0.00 C ATOM 1639 CG ASN A 120 10.736 2.001 -11.375 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.460 1.645 -10.447 1.00 0.00 O ATOM 1641 ND2 ASN A 120 11.229 2.429 -12.524 1.00 0.00 N ATOM 0 H ASN A 120 6.795 1.459 -11.140 1.00 0.00 H new ATOM 0 HA ASN A 120 8.795 0.529 -12.786 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.787 2.768 -11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.942 2.134 -10.208 1.00 0.00 H new ATOM 0 HD21 ASN A 120 12.239 2.471 -12.661 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.600 2.717 -13.273 1.00 0.00 H new ATOM 1648 N MET A 121 9.884 -1.444 -11.785 1.00 0.00 N ATOM 1649 CA MET A 121 10.460 -2.668 -11.254 1.00 0.00 C ATOM 1650 C MET A 121 11.655 -2.380 -10.354 1.00 0.00 C ATOM 1651 O MET A 121 11.907 -3.113 -9.406 1.00 0.00 O ATOM 1652 CB MET A 121 10.871 -3.596 -12.398 1.00 0.00 C ATOM 1653 CG MET A 121 11.330 -4.968 -11.936 1.00 0.00 C ATOM 1654 SD MET A 121 11.720 -6.076 -13.307 1.00 0.00 S ATOM 1655 CE MET A 121 10.132 -6.176 -14.130 1.00 0.00 C ATOM 0 H MET A 121 9.944 -1.358 -12.800 1.00 0.00 H new ATOM 0 HA MET A 121 9.699 -3.160 -10.648 1.00 0.00 H new ATOM 0 HB2 MET A 121 10.028 -3.715 -13.079 1.00 0.00 H new ATOM 0 HB3 MET A 121 11.674 -3.126 -12.965 1.00 0.00 H new ATOM 0 HG2 MET A 121 12.211 -4.857 -11.303 1.00 0.00 H new ATOM 0 HG3 MET A 121 10.551 -5.419 -11.322 1.00 0.00 H new ATOM 0 HE1 MET A 121 10.090 -7.085 -14.731 1.00 0.00 H new ATOM 0 HE2 MET A 121 9.337 -6.197 -13.385 1.00 0.00 H new ATOM 0 HE3 MET A 121 10.002 -5.308 -14.776 1.00 0.00 H new ATOM 1665 N GLY A 122 12.364 -1.290 -10.630 1.00 0.00 N ATOM 1666 CA GLY A 122 13.560 -0.971 -9.872 1.00 0.00 C ATOM 1667 C GLY A 122 13.242 -0.624 -8.436 1.00 0.00 C ATOM 1668 O GLY A 122 13.973 -0.990 -7.522 1.00 0.00 O ATOM 0 H GLY A 122 12.132 -0.622 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.243 -1.820 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.075 -0.133 -10.342 1.00 0.00 H new ATOM 1672 N LEU A 123 12.137 0.080 -8.255 1.00 0.00 N ATOM 1673 CA LEU A 123 11.637 0.440 -6.936 1.00 0.00 C ATOM 1674 C LEU A 123 11.271 -0.817 -6.165 1.00 0.00 C ATOM 1675 O LEU A 123 11.699 -1.018 -5.029 1.00 0.00 O ATOM 1676 CB LEU A 123 10.395 1.311 -7.104 1.00 0.00 C ATOM 1677 CG LEU A 123 10.078 2.250 -5.941 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.813 3.567 -6.106 1.00 0.00 C ATOM 1679 CD2 LEU A 123 8.584 2.474 -5.846 1.00 0.00 C ATOM 0 H LEU A 123 11.558 0.420 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 123 12.405 0.984 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.514 1.909 -8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.536 0.659 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 123 10.417 1.789 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.576 4.224 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.887 3.384 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.505 4.041 -7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.369 3.145 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.223 2.919 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.083 1.520 -5.682 1.00 0.00 H new ATOM 1691 N ALA A 124 10.506 -1.682 -6.818 1.00 0.00 N ATOM 1692 CA ALA A 124 10.045 -2.911 -6.202 1.00 0.00 C ATOM 1693 C ALA A 124 11.208 -3.882 -5.979 1.00 0.00 C ATOM 1694 O ALA A 124 11.124 -4.790 -5.154 1.00 0.00 O ATOM 1695 CB ALA A 124 8.960 -3.555 -7.046 1.00 0.00 C ATOM 0 H ALA A 124 10.192 -1.550 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 124 9.622 -2.665 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.626 -4.476 -6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.118 -2.869 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.356 -3.782 -8.036 1.00 0.00 H new ATOM 1701 N MET A 125 12.303 -3.679 -6.716 1.00 0.00 N ATOM 1702 CA MET A 125 13.498 -4.508 -6.562 1.00 0.00 C ATOM 1703 C MET A 125 14.135 -4.303 -5.197 1.00 0.00 C ATOM 1704 O MET A 125 14.836 -5.180 -4.697 1.00 0.00 O ATOM 1705 CB MET A 125 14.530 -4.219 -7.657 1.00 0.00 C ATOM 1706 CG MET A 125 14.234 -4.910 -8.978 1.00 0.00 C ATOM 1707 SD MET A 125 15.441 -4.513 -10.259 1.00 0.00 S ATOM 1708 CE MET A 125 16.940 -5.192 -9.547 1.00 0.00 C ATOM 0 H MET A 125 12.385 -2.949 -7.424 1.00 0.00 H new ATOM 0 HA MET A 125 13.177 -5.546 -6.653 1.00 0.00 H new ATOM 0 HB2 MET A 125 14.577 -3.143 -7.823 1.00 0.00 H new ATOM 0 HB3 MET A 125 15.514 -4.531 -7.307 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.217 -5.989 -8.823 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.240 -4.621 -9.319 1.00 0.00 H new ATOM 0 HE1 MET A 125 17.684 -5.332 -10.331 1.00 0.00 H new ATOM 0 HE2 MET A 125 17.329 -4.505 -8.796 1.00 0.00 H new ATOM 0 HE3 MET A 125 16.719 -6.152 -9.081 1.00 0.00 H new ATOM 1718 N LYS A 126 13.893 -3.153 -4.585 1.00 0.00 N ATOM 1719 CA LYS A 126 14.409 -2.906 -3.244 1.00 0.00 C ATOM 1720 C LYS A 126 13.578 -3.651 -2.208 1.00 0.00 C ATOM 1721 O LYS A 126 14.007 -3.834 -1.072 1.00 0.00 O ATOM 1722 CB LYS A 126 14.444 -1.414 -2.916 1.00 0.00 C ATOM 1723 CG LYS A 126 15.632 -0.667 -3.499 1.00 0.00 C ATOM 1724 CD LYS A 126 15.473 -0.423 -4.986 1.00 0.00 C ATOM 1725 CE LYS A 126 16.633 0.381 -5.543 1.00 0.00 C ATOM 1726 NZ LYS A 126 16.429 0.725 -6.974 1.00 0.00 N ATOM 0 H LYS A 126 13.352 -2.387 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 126 15.433 -3.277 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.526 -0.953 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 126 14.451 -1.293 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.748 0.287 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 126 16.543 -1.238 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 126 15.407 -1.378 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 126 14.539 0.107 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 126 16.753 1.296 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 126 17.556 -0.189 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 17.279 0.470 -7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 15.611 0.200 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.254 1.746 -7.064 1.00 0.00 H new ATOM 1740 N LEU A 127 12.391 -4.091 -2.609 1.00 0.00 N ATOM 1741 CA LEU A 127 11.542 -4.883 -1.730 1.00 0.00 C ATOM 1742 C LEU A 127 12.075 -6.306 -1.640 1.00 0.00 C ATOM 1743 O LEU A 127 12.004 -6.946 -0.592 1.00 0.00 O ATOM 1744 CB LEU A 127 10.095 -4.904 -2.233 1.00 0.00 C ATOM 1745 CG LEU A 127 9.425 -3.537 -2.380 1.00 0.00 C ATOM 1746 CD1 LEU A 127 7.989 -3.705 -2.840 1.00 0.00 C ATOM 1747 CD2 LEU A 127 9.474 -2.767 -1.070 1.00 0.00 C ATOM 0 H LEU A 127 11.997 -3.913 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 127 11.555 -4.425 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.073 -5.405 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 127 9.500 -5.508 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 127 9.971 -2.966 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.522 -2.725 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.973 -4.216 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.439 -4.295 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.992 -1.798 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.953 -3.331 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.512 -2.619 -0.774 1.00 0.00 H new ATOM 1759 N THR A 128 12.610 -6.799 -2.750 1.00 0.00 N ATOM 1760 CA THR A 128 13.187 -8.132 -2.785 1.00 0.00 C ATOM 1761 C THR A 128 14.626 -8.091 -2.273 1.00 0.00 C ATOM 1762 O THR A 128 15.192 -9.111 -1.896 1.00 0.00 O ATOM 1763 CB THR A 128 13.131 -8.743 -4.208 1.00 0.00 C ATOM 1764 OG1 THR A 128 13.345 -10.160 -4.155 1.00 0.00 O ATOM 1765 CG2 THR A 128 14.166 -8.117 -5.132 1.00 0.00 C ATOM 0 H THR A 128 12.655 -6.295 -3.635 1.00 0.00 H new ATOM 0 HA THR A 128 12.594 -8.773 -2.133 1.00 0.00 H new ATOM 0 HB THR A 128 12.139 -8.534 -4.607 1.00 0.00 H new ATOM 0 HG1 THR A 128 13.990 -10.367 -3.446 1.00 0.00 H new ATOM 0 HG21 THR A 128 14.095 -8.572 -6.120 1.00 0.00 H new ATOM 0 HG22 THR A 128 13.982 -7.046 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 128 15.164 -8.284 -4.727 1.00 0.00 H new ATOM 1773 N ASP A 129 15.198 -6.887 -2.245 1.00 0.00 N ATOM 1774 CA ASP A 129 16.542 -6.665 -1.697 1.00 0.00 C ATOM 1775 C ASP A 129 16.594 -7.095 -0.240 1.00 0.00 C ATOM 1776 O ASP A 129 17.633 -7.519 0.269 1.00 0.00 O ATOM 1777 CB ASP A 129 16.917 -5.187 -1.798 1.00 0.00 C ATOM 1778 CG ASP A 129 18.341 -4.908 -1.351 1.00 0.00 C ATOM 1779 OD1 ASP A 129 18.559 -4.648 -0.151 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.253 -4.932 -2.207 1.00 0.00 O ATOM 0 H ASP A 129 14.749 -6.042 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 129 17.250 -7.259 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 129 16.793 -4.855 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 129 16.229 -4.600 -1.190 1.00 0.00 H new ATOM 1785 N LEU A 130 15.446 -6.991 0.412 1.00 0.00 N ATOM 1786 CA LEU A 130 15.289 -7.386 1.811 1.00 0.00 C ATOM 1787 C LEU A 130 15.698 -8.843 2.045 1.00 0.00 C ATOM 1788 O LEU A 130 15.930 -9.254 3.184 1.00 0.00 O ATOM 1789 CB LEU A 130 13.848 -7.187 2.253 1.00 0.00 C ATOM 1790 CG LEU A 130 13.341 -5.745 2.198 1.00 0.00 C ATOM 1791 CD1 LEU A 130 12.233 -5.569 3.204 1.00 0.00 C ATOM 1792 CD2 LEU A 130 14.461 -4.749 2.467 1.00 0.00 C ATOM 0 H LEU A 130 14.592 -6.629 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 130 15.950 -6.752 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 130 13.205 -7.805 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 130 13.745 -7.552 3.275 1.00 0.00 H new ATOM 0 HG LEU A 130 12.963 -5.549 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 130 11.869 -4.542 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 130 11.417 -6.252 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.611 -5.785 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.065 -3.735 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 130 14.879 -4.930 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.242 -4.869 1.716 1.00 0.00 H new ATOM 1804 N GLN A 131 15.799 -9.614 0.959 1.00 0.00 N ATOM 1805 CA GLN A 131 16.140 -11.034 1.030 1.00 0.00 C ATOM 1806 C GLN A 131 17.494 -11.259 1.697 1.00 0.00 C ATOM 1807 O GLN A 131 17.780 -12.365 2.155 1.00 0.00 O ATOM 1808 CB GLN A 131 16.155 -11.655 -0.369 1.00 0.00 C ATOM 1809 CG GLN A 131 17.318 -11.187 -1.237 1.00 0.00 C ATOM 1810 CD GLN A 131 17.310 -11.802 -2.622 1.00 0.00 C ATOM 1811 OE1 GLN A 131 16.127 -12.067 -3.150 1.00 0.00 O flip ATOM 1812 NE2 GLN A 131 18.363 -12.027 -3.221 1.00 0.00 N flip ATOM 0 H GLN A 131 15.647 -9.272 0.010 1.00 0.00 H new ATOM 0 HA GLN A 131 15.374 -11.517 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 131 16.198 -12.740 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 131 15.218 -11.416 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 131 17.282 -10.101 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 131 18.257 -11.435 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 131 19.257 -11.809 -2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 131 18.341 -12.431 -4.157 1.00 0.00 H new ATOM 1821 N ARG A 132 18.328 -10.219 1.741 1.00 0.00 N ATOM 1822 CA ARG A 132 19.641 -10.316 2.362 1.00 0.00 C ATOM 1823 C ARG A 132 19.521 -10.847 3.786 1.00 0.00 C ATOM 1824 O ARG A 132 20.151 -11.841 4.145 1.00 0.00 O ATOM 1825 CB ARG A 132 20.333 -8.957 2.384 1.00 0.00 C ATOM 1826 CG ARG A 132 20.509 -8.323 1.019 1.00 0.00 C ATOM 1827 CD ARG A 132 21.238 -6.993 1.128 1.00 0.00 C ATOM 1828 NE ARG A 132 21.187 -6.226 -0.114 1.00 0.00 N ATOM 1829 CZ ARG A 132 22.225 -5.578 -0.641 1.00 0.00 C ATOM 1830 NH1 ARG A 132 23.429 -5.664 -0.082 1.00 0.00 N ATOM 1831 NH2 ARG A 132 22.056 -4.854 -1.739 1.00 0.00 N ATOM 0 H ARG A 132 18.113 -9.301 1.352 1.00 0.00 H new ATOM 0 HA ARG A 132 20.239 -11.008 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 132 19.757 -8.280 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 132 21.313 -9.069 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 132 21.069 -8.997 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 132 19.534 -8.171 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 132 20.797 -6.405 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 132 22.279 -7.173 1.398 1.00 0.00 H new ATOM 0 HE ARG A 132 20.297 -6.184 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 132 23.563 -6.229 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 132 24.218 -5.165 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 132 21.136 -4.796 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 132 22.846 -4.355 -2.148 1.00 0.00 H new ATOM 1845 N GLN A 133 18.701 -10.181 4.585 1.00 0.00 N ATOM 1846 CA GLN A 133 18.476 -10.590 5.961 1.00 0.00 C ATOM 1847 C GLN A 133 17.290 -11.545 6.056 1.00 0.00 C ATOM 1848 O GLN A 133 17.280 -12.455 6.883 1.00 0.00 O ATOM 1849 CB GLN A 133 18.238 -9.366 6.846 1.00 0.00 C ATOM 1850 CG GLN A 133 19.400 -8.383 6.858 1.00 0.00 C ATOM 1851 CD GLN A 133 20.706 -9.018 7.300 1.00 0.00 C ATOM 1852 OE1 GLN A 133 21.477 -9.522 6.482 1.00 0.00 O ATOM 1853 NE2 GLN A 133 20.965 -8.992 8.597 1.00 0.00 N ATOM 0 H GLN A 133 18.179 -9.352 4.302 1.00 0.00 H new ATOM 0 HA GLN A 133 19.367 -11.112 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 133 17.341 -8.850 6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 133 18.045 -9.698 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 133 19.525 -7.964 5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 133 19.161 -7.554 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.300 -8.565 9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 133 21.830 -9.399 8.953 1.00 0.00 H new ATOM 1862 N ALA A 134 16.305 -11.348 5.180 1.00 0.00 N ATOM 1863 CA ALA A 134 15.057 -12.113 5.230 1.00 0.00 C ATOM 1864 C ALA A 134 15.265 -13.593 4.911 1.00 0.00 C ATOM 1865 O ALA A 134 14.364 -14.406 5.107 1.00 0.00 O ATOM 1866 CB ALA A 134 14.033 -11.516 4.278 1.00 0.00 C ATOM 0 H ALA A 134 16.347 -10.664 4.425 1.00 0.00 H new ATOM 0 HA ALA A 134 14.687 -12.050 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 134 13.111 -12.095 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 134 13.829 -10.484 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 134 14.424 -11.540 3.261 1.00 0.00 H new ATOM 1872 N ALA A 135 16.447 -13.940 4.423 1.00 0.00 N ATOM 1873 CA ALA A 135 16.764 -15.327 4.104 1.00 0.00 C ATOM 1874 C ALA A 135 17.226 -16.087 5.343 1.00 0.00 C ATOM 1875 O ALA A 135 17.760 -17.191 5.245 1.00 0.00 O ATOM 1876 CB ALA A 135 17.825 -15.394 3.019 1.00 0.00 C ATOM 0 H ALA A 135 17.203 -13.281 4.239 1.00 0.00 H new ATOM 0 HA ALA A 135 15.854 -15.801 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 135 18.049 -16.437 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 135 17.458 -14.899 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 135 18.730 -14.894 3.364 1.00 0.00 H new ATOM 1882 N GLY A 136 17.024 -15.487 6.508 1.00 0.00 N ATOM 1883 CA GLY A 136 17.405 -16.129 7.749 1.00 0.00 C ATOM 1884 C GLY A 136 18.846 -15.846 8.114 1.00 0.00 C ATOM 1885 O GLY A 136 19.415 -16.499 8.989 1.00 0.00 O ATOM 0 H GLY A 136 16.602 -14.565 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 136 16.753 -15.783 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 136 17.258 -17.205 7.660 1.00 0.00 H new ATOM 1889 N ARG A 137 19.437 -14.872 7.441 1.00 0.00 N ATOM 1890 CA ARG A 137 20.822 -14.514 7.690 1.00 0.00 C ATOM 1891 C ARG A 137 20.918 -13.595 8.900 1.00 0.00 C ATOM 1892 O ARG A 137 20.860 -12.373 8.777 1.00 0.00 O ATOM 1893 CB ARG A 137 21.433 -13.843 6.457 1.00 0.00 C ATOM 1894 CG ARG A 137 22.905 -13.499 6.613 1.00 0.00 C ATOM 1895 CD ARG A 137 23.459 -12.879 5.346 1.00 0.00 C ATOM 1896 NE ARG A 137 24.875 -12.540 5.469 1.00 0.00 N ATOM 1897 CZ ARG A 137 25.695 -12.396 4.426 1.00 0.00 C ATOM 1898 NH1 ARG A 137 25.245 -12.586 3.191 1.00 0.00 N ATOM 1899 NH2 ARG A 137 26.966 -12.066 4.618 1.00 0.00 N ATOM 0 H ARG A 137 18.979 -14.316 6.719 1.00 0.00 H new ATOM 0 HA ARG A 137 21.385 -15.424 7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 137 21.313 -14.503 5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 137 20.877 -12.931 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 137 23.034 -12.808 7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 137 23.468 -14.400 6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 137 23.324 -13.572 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 137 22.892 -11.980 5.106 1.00 0.00 H new ATOM 0 HE ARG A 137 25.258 -12.406 6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 137 24.270 -12.843 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 137 25.875 -12.475 2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 137 27.318 -11.922 5.564 1.00 0.00 H new ATOM 0 HH22 ARG A 137 27.591 -11.957 3.819 1.00 0.00 H new ATOM 1913 N ILE A 138 21.047 -14.196 10.070 1.00 0.00 N ATOM 1914 CA ILE A 138 21.142 -13.445 11.313 1.00 0.00 C ATOM 1915 C ILE A 138 22.360 -13.895 12.115 1.00 0.00 C ATOM 1916 O ILE A 138 22.960 -13.118 12.860 1.00 0.00 O ATOM 1917 CB ILE A 138 19.864 -13.630 12.172 1.00 0.00 C ATOM 1918 CG1 ILE A 138 19.906 -12.742 13.420 1.00 0.00 C ATOM 1919 CG2 ILE A 138 19.683 -15.094 12.567 1.00 0.00 C ATOM 1920 CD1 ILE A 138 19.896 -11.259 13.116 1.00 0.00 C ATOM 0 H ILE A 138 21.089 -15.208 10.187 1.00 0.00 H new ATOM 0 HA ILE A 138 21.245 -12.390 11.058 1.00 0.00 H new ATOM 0 HB ILE A 138 19.010 -13.327 11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 138 19.050 -12.979 14.052 1.00 0.00 H new ATOM 0 HG13 ILE A 138 20.802 -12.980 13.994 1.00 0.00 H new ATOM 0 HG21 ILE A 138 18.780 -15.200 13.169 1.00 0.00 H new ATOM 0 HG22 ILE A 138 19.594 -15.705 11.669 1.00 0.00 H new ATOM 0 HG23 ILE A 138 20.546 -15.424 13.146 1.00 0.00 H new ATOM 0 HD11 ILE A 138 19.927 -10.696 14.049 1.00 0.00 H new ATOM 0 HD12 ILE A 138 20.766 -11.006 12.510 1.00 0.00 H new ATOM 0 HD13 ILE A 138 18.987 -11.006 12.570 1.00 0.00 H new ATOM 1932 N GLU A 139 22.736 -15.146 11.922 1.00 0.00 N ATOM 1933 CA GLU A 139 23.765 -15.773 12.727 1.00 0.00 C ATOM 1934 C GLU A 139 25.098 -15.784 11.988 1.00 0.00 C ATOM 1935 O GLU A 139 25.148 -15.591 10.773 1.00 0.00 O ATOM 1936 CB GLU A 139 23.321 -17.195 13.080 1.00 0.00 C ATOM 1937 CG GLU A 139 23.033 -18.054 11.860 1.00 0.00 C ATOM 1938 CD GLU A 139 22.465 -19.413 12.209 1.00 0.00 C ATOM 1939 OE1 GLU A 139 21.359 -19.468 12.784 1.00 0.00 O ATOM 1940 OE2 GLU A 139 23.113 -20.432 11.893 1.00 0.00 O ATOM 0 H GLU A 139 22.338 -15.753 11.205 1.00 0.00 H new ATOM 0 HA GLU A 139 23.907 -15.202 13.645 1.00 0.00 H new ATOM 0 HB2 GLU A 139 24.097 -17.673 13.677 1.00 0.00 H new ATOM 0 HB3 GLU A 139 22.426 -17.146 13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 139 22.331 -17.529 11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 139 23.954 -18.187 11.292 1.00 0.00 H new ATOM 1947 N SER A 140 26.172 -15.996 12.724 1.00 0.00 N ATOM 1948 CA SER A 140 27.501 -16.022 12.145 1.00 0.00 C ATOM 1949 C SER A 140 28.318 -17.159 12.747 1.00 0.00 C ATOM 1950 O SER A 140 29.090 -16.968 13.689 1.00 0.00 O ATOM 1951 CB SER A 140 28.193 -14.677 12.365 1.00 0.00 C ATOM 1952 OG SER A 140 27.431 -13.628 11.790 1.00 0.00 O ATOM 0 H SER A 140 26.149 -16.154 13.731 1.00 0.00 H new ATOM 0 HA SER A 140 27.418 -16.196 11.072 1.00 0.00 H new ATOM 0 HB2 SER A 140 28.322 -14.498 13.432 1.00 0.00 H new ATOM 0 HB3 SER A 140 29.189 -14.697 11.922 1.00 0.00 H new ATOM 0 HG SER A 140 27.886 -12.773 11.940 1.00 0.00 H new ATOM 1958 N ILE A 141 28.123 -18.348 12.205 1.00 0.00 N ATOM 1959 CA ILE A 141 28.831 -19.529 12.664 1.00 0.00 C ATOM 1960 C ILE A 141 29.951 -19.871 11.691 1.00 0.00 C ATOM 1961 O ILE A 141 31.129 -19.652 12.034 1.00 0.00 O ATOM 1962 CB ILE A 141 27.878 -20.736 12.808 1.00 0.00 C ATOM 1963 CG1 ILE A 141 26.754 -20.407 13.797 1.00 0.00 C ATOM 1964 CG2 ILE A 141 28.645 -21.973 13.257 1.00 0.00 C ATOM 1965 CD1 ILE A 141 25.729 -21.511 13.949 1.00 0.00 C ATOM 1966 OXT ILE A 141 29.641 -20.316 10.565 1.00 0.00 O ATOM 0 H ILE A 141 27.473 -18.521 11.438 1.00 0.00 H new ATOM 0 HA ILE A 141 29.251 -19.310 13.646 1.00 0.00 H new ATOM 0 HB ILE A 141 27.433 -20.947 11.836 1.00 0.00 H new ATOM 0 HG12 ILE A 141 27.192 -20.194 14.772 1.00 0.00 H new ATOM 0 HG13 ILE A 141 26.249 -19.498 13.469 1.00 0.00 H new ATOM 0 HG21 ILE A 141 27.957 -22.813 13.353 1.00 0.00 H new ATOM 0 HG22 ILE A 141 29.411 -22.214 12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 141 29.117 -21.779 14.220 1.00 0.00 H new ATOM 0 HD11 ILE A 141 24.967 -21.204 14.665 1.00 0.00 H new ATOM 0 HD12 ILE A 141 25.262 -21.709 12.984 1.00 0.00 H new ATOM 0 HD13 ILE A 141 26.219 -22.416 14.308 1.00 0.00 H new TER 1978 ILE A 141