USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 973 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 70 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 93 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.586) USER MOD Set 1.3: A 96 SER OG : rot 80:sc= -1.95 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -0.416 K(o=-0.37,f=-2.6!) USER MOD Set 2.2: A 87 TYR OH : rot 149:sc= 0.0422 USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0.0235 USER MOD Set 3.2: A 43 SER OG : rot 180:sc= -0.0259 USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0298 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 1:sc= 0.47 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.81! X(o=-1.8!,f=-1.4) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -5.11! C(o=-5.1!,f=-5.1!) USER MOD Single : A 64 THR OG1 : rot 23:sc= -1.42 USER MOD Single : A 68 ASN : amide:sc= -5.46! C(o=-5.5!,f=-6.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 71 THR OG1 : rot 33:sc= 1 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 54:sc= 0.0154 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.173 K(o=-0.17,f=-1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.658 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 105 GLN : amide:sc= -2.82! C(o=-2.8!,f=-4.6!) USER MOD Single : A 106 THR OG1 : rot 110:sc= -1.26 USER MOD Single : A 108 LYS NZ :NH3+ -143:sc=-0.00856 (180deg=-0.794) USER MOD Single : A 120 THR OG1 : rot 171:sc= 0.928 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 30:sc= 0.878 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.184 38.270 -16.006 1.00 0.00 N ATOM 2 CA GLY A 1 1.290 36.821 -16.054 1.00 0.00 C ATOM 3 C GLY A 1 0.011 36.161 -15.535 1.00 0.00 C ATOM 4 O GLY A 1 -0.627 36.672 -14.616 1.00 0.00 O ATOM 0 H1 GLY A 1 2.067 38.670 -15.629 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.019 38.638 -16.965 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.391 38.540 -15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.479 36.500 -17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.141 36.495 -15.456 1.00 0.00 H new ATOM 8 N SER A 2 -0.325 35.034 -16.146 1.00 0.00 N ATOM 9 CA SER A 2 -1.516 34.298 -15.758 1.00 0.00 C ATOM 10 C SER A 2 -1.474 32.886 -16.345 1.00 0.00 C ATOM 11 O SER A 2 -0.703 32.616 -17.265 1.00 0.00 O ATOM 12 CB SER A 2 -2.784 35.024 -16.211 1.00 0.00 C ATOM 13 OG SER A 2 -3.677 35.266 -15.127 1.00 0.00 O ATOM 0 H SER A 2 0.207 34.613 -16.907 1.00 0.00 H new ATOM 0 HA SER A 2 -1.537 34.231 -14.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.513 35.972 -16.676 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.290 34.429 -16.972 1.00 0.00 H new ATOM 0 HG SER A 2 -4.473 35.733 -15.457 1.00 0.00 H new ATOM 19 N SER A 3 -2.312 32.023 -15.789 1.00 0.00 N ATOM 20 CA SER A 3 -2.379 30.646 -16.247 1.00 0.00 C ATOM 21 C SER A 3 -3.468 29.893 -15.479 1.00 0.00 C ATOM 22 O SER A 3 -4.005 30.402 -14.496 1.00 0.00 O ATOM 23 CB SER A 3 -1.030 29.943 -16.081 1.00 0.00 C ATOM 24 OG SER A 3 -0.850 28.902 -17.037 1.00 0.00 O ATOM 0 H SER A 3 -2.950 32.251 -15.026 1.00 0.00 H new ATOM 0 HA SER A 3 -2.627 30.650 -17.308 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.226 30.672 -16.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.958 29.528 -15.076 1.00 0.00 H new ATOM 0 HG SER A 3 0.023 28.479 -16.899 1.00 0.00 H new ATOM 30 N GLY A 4 -3.761 28.692 -15.957 1.00 0.00 N ATOM 31 CA GLY A 4 -4.775 27.864 -15.328 1.00 0.00 C ATOM 32 C GLY A 4 -4.863 26.495 -16.006 1.00 0.00 C ATOM 33 O GLY A 4 -4.995 26.410 -17.226 1.00 0.00 O ATOM 0 H GLY A 4 -3.314 28.273 -16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.541 27.736 -14.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.742 28.363 -15.382 1.00 0.00 H new ATOM 37 N SER A 5 -4.787 25.457 -15.185 1.00 0.00 N ATOM 38 CA SER A 5 -4.857 24.097 -15.690 1.00 0.00 C ATOM 39 C SER A 5 -4.974 23.112 -14.525 1.00 0.00 C ATOM 40 O SER A 5 -4.253 23.227 -13.535 1.00 0.00 O ATOM 41 CB SER A 5 -3.633 23.764 -16.546 1.00 0.00 C ATOM 42 OG SER A 5 -2.414 24.085 -15.882 1.00 0.00 O ATOM 0 H SER A 5 -4.678 25.531 -14.174 1.00 0.00 H new ATOM 0 HA SER A 5 -5.742 24.011 -16.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.642 22.703 -16.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.689 24.312 -17.487 1.00 0.00 H new ATOM 0 HG SER A 5 -1.656 23.856 -16.460 1.00 0.00 H new ATOM 48 N SER A 6 -5.887 22.165 -14.683 1.00 0.00 N ATOM 49 CA SER A 6 -6.107 21.160 -13.656 1.00 0.00 C ATOM 50 C SER A 6 -7.066 20.085 -14.173 1.00 0.00 C ATOM 51 O SER A 6 -7.980 20.381 -14.942 1.00 0.00 O ATOM 52 CB SER A 6 -6.659 21.791 -12.377 1.00 0.00 C ATOM 53 OG SER A 6 -8.025 22.173 -12.515 1.00 0.00 O ATOM 0 H SER A 6 -6.483 22.072 -15.506 1.00 0.00 H new ATOM 0 HA SER A 6 -5.148 20.700 -13.418 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.562 21.084 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.063 22.666 -12.118 1.00 0.00 H new ATOM 0 HG SER A 6 -8.340 22.570 -11.676 1.00 0.00 H new ATOM 59 N GLY A 7 -6.825 18.860 -13.731 1.00 0.00 N ATOM 60 CA GLY A 7 -7.655 17.740 -14.139 1.00 0.00 C ATOM 61 C GLY A 7 -6.861 16.752 -14.996 1.00 0.00 C ATOM 62 O GLY A 7 -5.901 16.146 -14.523 1.00 0.00 O ATOM 0 H GLY A 7 -6.066 18.618 -13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.044 17.231 -13.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.514 18.106 -14.701 1.00 0.00 H new ATOM 66 N ARG A 8 -7.290 16.621 -16.243 1.00 0.00 N ATOM 67 CA ARG A 8 -6.631 15.717 -17.170 1.00 0.00 C ATOM 68 C ARG A 8 -6.692 14.281 -16.646 1.00 0.00 C ATOM 69 O ARG A 8 -6.648 14.055 -15.438 1.00 0.00 O ATOM 70 CB ARG A 8 -5.169 16.114 -17.381 1.00 0.00 C ATOM 71 CG ARG A 8 -4.889 16.416 -18.855 1.00 0.00 C ATOM 72 CD ARG A 8 -4.274 15.203 -19.555 1.00 0.00 C ATOM 73 NE ARG A 8 -4.844 15.060 -20.914 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.477 14.113 -21.787 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.537 13.218 -21.450 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.048 14.060 -22.998 1.00 0.00 N ATOM 0 H ARG A 8 -8.086 17.126 -16.633 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.154 15.781 -18.124 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.936 16.990 -16.776 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.517 15.309 -17.041 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.816 16.698 -19.355 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.213 17.267 -18.934 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.192 15.318 -19.616 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.467 14.301 -18.974 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.561 15.725 -21.204 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.101 13.258 -20.529 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.258 12.497 -22.115 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.762 14.741 -23.255 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.768 13.339 -23.663 1.00 0.00 H new ATOM 90 N ILE A 9 -6.793 13.348 -17.581 1.00 0.00 N ATOM 91 CA ILE A 9 -6.861 11.940 -17.229 1.00 0.00 C ATOM 92 C ILE A 9 -5.535 11.513 -16.596 1.00 0.00 C ATOM 93 O ILE A 9 -4.542 11.323 -17.296 1.00 0.00 O ATOM 94 CB ILE A 9 -7.260 11.102 -18.445 1.00 0.00 C ATOM 95 CG1 ILE A 9 -8.672 11.458 -18.917 1.00 0.00 C ATOM 96 CG2 ILE A 9 -7.114 9.607 -18.152 1.00 0.00 C ATOM 97 CD1 ILE A 9 -8.712 11.640 -20.435 1.00 0.00 C ATOM 0 H ILE A 9 -6.829 13.540 -18.582 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.640 11.770 -16.485 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.578 11.339 -19.262 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.367 10.671 -18.623 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.003 12.374 -18.428 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.404 9.034 -19.033 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.077 9.385 -17.900 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.757 9.336 -17.315 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.726 11.892 -20.745 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.034 12.444 -20.723 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.404 10.714 -20.921 1.00 0.00 H new ATOM 109 N GLY A 10 -5.563 11.374 -15.278 1.00 0.00 N ATOM 110 CA GLY A 10 -4.375 10.973 -14.543 1.00 0.00 C ATOM 111 C GLY A 10 -3.760 9.707 -15.144 1.00 0.00 C ATOM 112 O GLY A 10 -4.333 8.624 -15.037 1.00 0.00 O ATOM 0 H GLY A 10 -6.389 11.532 -14.701 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.643 11.780 -14.559 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.631 10.797 -13.498 1.00 0.00 H new ATOM 116 N ASP A 11 -2.602 9.886 -15.761 1.00 0.00 N ATOM 117 CA ASP A 11 -1.903 8.772 -16.379 1.00 0.00 C ATOM 118 C ASP A 11 -0.496 9.218 -16.782 1.00 0.00 C ATOM 119 O ASP A 11 -0.309 10.335 -17.262 1.00 0.00 O ATOM 120 CB ASP A 11 -2.628 8.297 -17.640 1.00 0.00 C ATOM 121 CG ASP A 11 -2.916 6.796 -17.694 1.00 0.00 C ATOM 122 OD1 ASP A 11 -3.614 6.318 -16.773 1.00 0.00 O ATOM 123 OD2 ASP A 11 -2.432 6.159 -18.654 1.00 0.00 O ATOM 0 H ASP A 11 -2.130 10.786 -15.846 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.865 7.957 -15.657 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.572 8.836 -17.723 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.029 8.568 -18.509 1.00 0.00 H new ATOM 128 N GLY A 12 0.457 8.322 -16.573 1.00 0.00 N ATOM 129 CA GLY A 12 1.841 8.610 -16.908 1.00 0.00 C ATOM 130 C GLY A 12 2.702 7.348 -16.814 1.00 0.00 C ATOM 131 O GLY A 12 2.973 6.858 -15.719 1.00 0.00 O ATOM 0 H GLY A 12 0.298 7.396 -16.176 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.897 9.019 -17.917 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.231 9.372 -16.233 1.00 0.00 H new ATOM 135 N SER A 13 3.108 6.859 -17.977 1.00 0.00 N ATOM 136 CA SER A 13 3.932 5.664 -18.039 1.00 0.00 C ATOM 137 C SER A 13 4.719 5.639 -19.351 1.00 0.00 C ATOM 138 O SER A 13 4.357 4.923 -20.283 1.00 0.00 O ATOM 139 CB SER A 13 3.080 4.400 -17.907 1.00 0.00 C ATOM 140 OG SER A 13 2.428 4.325 -16.642 1.00 0.00 O ATOM 0 H SER A 13 2.882 7.269 -18.883 1.00 0.00 H new ATOM 0 HA SER A 13 4.631 5.687 -17.203 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.334 4.381 -18.701 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.711 3.522 -18.042 1.00 0.00 H new ATOM 0 HG SER A 13 2.652 5.118 -16.111 1.00 0.00 H new ATOM 146 N PRO A 14 5.810 6.451 -19.382 1.00 0.00 N ATOM 147 CA PRO A 14 6.651 6.529 -20.564 1.00 0.00 C ATOM 148 C PRO A 14 7.531 5.284 -20.693 1.00 0.00 C ATOM 149 O PRO A 14 7.751 4.570 -19.716 1.00 0.00 O ATOM 150 CB PRO A 14 7.454 7.808 -20.392 1.00 0.00 C ATOM 151 CG PRO A 14 7.374 8.155 -18.914 1.00 0.00 C ATOM 152 CD PRO A 14 6.269 7.313 -18.297 1.00 0.00 C ATOM 0 HA PRO A 14 6.075 6.557 -21.489 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.488 7.665 -20.704 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.045 8.611 -21.005 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.326 7.955 -18.423 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.164 9.216 -18.782 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.640 6.727 -17.456 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.460 7.938 -17.918 1.00 0.00 H new ATOM 160 N SER A 15 8.011 5.061 -21.908 1.00 0.00 N ATOM 161 CA SER A 15 8.862 3.915 -22.178 1.00 0.00 C ATOM 162 C SER A 15 10.281 4.383 -22.509 1.00 0.00 C ATOM 163 O SER A 15 10.615 4.587 -23.675 1.00 0.00 O ATOM 164 CB SER A 15 8.301 3.070 -23.324 1.00 0.00 C ATOM 165 OG SER A 15 8.430 1.674 -23.070 1.00 0.00 O ATOM 0 H SER A 15 7.826 5.655 -22.716 1.00 0.00 H new ATOM 0 HA SER A 15 8.891 3.292 -21.284 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.250 3.316 -23.475 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.822 3.320 -24.248 1.00 0.00 H new ATOM 0 HG SER A 15 8.059 1.169 -23.823 1.00 0.00 H new ATOM 171 N HIS A 16 11.078 4.539 -21.462 1.00 0.00 N ATOM 172 CA HIS A 16 12.453 4.979 -21.627 1.00 0.00 C ATOM 173 C HIS A 16 13.319 4.384 -20.515 1.00 0.00 C ATOM 174 O HIS A 16 12.805 3.978 -19.473 1.00 0.00 O ATOM 175 CB HIS A 16 12.531 6.505 -21.687 1.00 0.00 C ATOM 176 CG HIS A 16 12.554 7.173 -20.333 1.00 0.00 C ATOM 177 ND1 HIS A 16 11.618 6.907 -19.349 1.00 0.00 N ATOM 178 CD2 HIS A 16 13.410 8.097 -19.810 1.00 0.00 C ATOM 179 CE1 HIS A 16 11.906 7.643 -18.287 1.00 0.00 C ATOM 180 NE2 HIS A 16 13.017 8.381 -18.574 1.00 0.00 N ATOM 0 H HIS A 16 10.798 4.369 -20.496 1.00 0.00 H new ATOM 0 HA HIS A 16 12.844 4.616 -22.578 1.00 0.00 H new ATOM 0 HB2 HIS A 16 13.427 6.791 -22.237 1.00 0.00 H new ATOM 0 HB3 HIS A 16 11.677 6.880 -22.251 1.00 0.00 H new ATOM 0 HD2 HIS A 16 14.263 8.525 -20.316 1.00 0.00 H new ATOM 0 HE1 HIS A 16 11.358 7.657 -17.357 1.00 0.00 H new ATOM 0 HE2 HIS A 16 13.471 9.042 -17.943 1.00 0.00 H new ATOM 188 N PRO A 17 14.652 4.351 -20.780 1.00 0.00 N ATOM 189 CA PRO A 17 15.594 3.813 -19.814 1.00 0.00 C ATOM 190 C PRO A 17 15.813 4.791 -18.658 1.00 0.00 C ATOM 191 O PRO A 17 15.479 5.970 -18.766 1.00 0.00 O ATOM 192 CB PRO A 17 16.861 3.540 -20.609 1.00 0.00 C ATOM 193 CG PRO A 17 16.739 4.362 -21.882 1.00 0.00 C ATOM 194 CD PRO A 17 15.296 4.823 -22.002 1.00 0.00 C ATOM 0 HA PRO A 17 15.234 2.901 -19.339 1.00 0.00 H new ATOM 0 HB2 PRO A 17 17.747 3.826 -20.042 1.00 0.00 H new ATOM 0 HB3 PRO A 17 16.958 2.479 -20.837 1.00 0.00 H new ATOM 0 HG2 PRO A 17 17.412 5.219 -21.849 1.00 0.00 H new ATOM 0 HG3 PRO A 17 17.023 3.767 -22.750 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.233 5.908 -22.089 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.819 4.404 -22.888 1.00 0.00 H new ATOM 202 N PRO A 18 16.389 4.252 -17.550 1.00 0.00 N ATOM 203 CA PRO A 18 16.656 5.064 -16.375 1.00 0.00 C ATOM 204 C PRO A 18 17.865 5.975 -16.602 1.00 0.00 C ATOM 205 O PRO A 18 18.956 5.499 -16.913 1.00 0.00 O ATOM 206 CB PRO A 18 16.867 4.068 -15.247 1.00 0.00 C ATOM 207 CG PRO A 18 17.170 2.737 -15.918 1.00 0.00 C ATOM 208 CD PRO A 18 16.798 2.860 -17.386 1.00 0.00 C ATOM 0 HA PRO A 18 15.838 5.744 -16.139 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.690 4.377 -14.602 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.979 3.996 -14.619 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.226 2.487 -15.811 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.603 1.934 -15.447 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.643 2.617 -18.030 1.00 0.00 H new ATOM 0 HD3 PRO A 18 15.990 2.177 -17.648 1.00 0.00 H new ATOM 216 N ILE A 19 17.630 7.268 -16.437 1.00 0.00 N ATOM 217 CA ILE A 19 18.686 8.250 -16.620 1.00 0.00 C ATOM 218 C ILE A 19 19.398 8.481 -15.286 1.00 0.00 C ATOM 219 O ILE A 19 18.766 8.470 -14.231 1.00 0.00 O ATOM 220 CB ILE A 19 18.126 9.528 -17.248 1.00 0.00 C ATOM 221 CG1 ILE A 19 17.615 9.264 -18.666 1.00 0.00 C ATOM 222 CG2 ILE A 19 19.161 10.655 -17.212 1.00 0.00 C ATOM 223 CD1 ILE A 19 18.763 8.875 -19.599 1.00 0.00 C ATOM 0 H ILE A 19 16.724 7.659 -16.179 1.00 0.00 H new ATOM 0 HA ILE A 19 19.434 7.879 -17.321 1.00 0.00 H new ATOM 0 HB ILE A 19 17.272 9.855 -16.654 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.872 8.467 -18.646 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.117 10.155 -19.049 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.738 11.552 -17.664 1.00 0.00 H new ATOM 0 HG22 ILE A 19 19.435 10.865 -16.178 1.00 0.00 H new ATOM 0 HG23 ILE A 19 20.048 10.352 -17.768 1.00 0.00 H new ATOM 0 HD11 ILE A 19 18.372 8.693 -20.600 1.00 0.00 H new ATOM 0 HD12 ILE A 19 19.492 9.684 -19.636 1.00 0.00 H new ATOM 0 HD13 ILE A 19 19.244 7.970 -19.227 1.00 0.00 H new ATOM 235 N LEU A 20 20.704 8.684 -15.376 1.00 0.00 N ATOM 236 CA LEU A 20 21.509 8.917 -14.190 1.00 0.00 C ATOM 237 C LEU A 20 21.193 10.305 -13.629 1.00 0.00 C ATOM 238 O LEU A 20 22.041 11.196 -13.654 1.00 0.00 O ATOM 239 CB LEU A 20 22.993 8.701 -14.497 1.00 0.00 C ATOM 240 CG LEU A 20 23.965 9.003 -13.355 1.00 0.00 C ATOM 241 CD1 LEU A 20 24.716 7.741 -12.927 1.00 0.00 C ATOM 242 CD2 LEU A 20 24.920 10.137 -13.734 1.00 0.00 C ATOM 0 H LEU A 20 21.225 8.692 -16.253 1.00 0.00 H new ATOM 0 HA LEU A 20 21.260 8.194 -13.413 1.00 0.00 H new ATOM 0 HB2 LEU A 20 23.133 7.664 -14.802 1.00 0.00 H new ATOM 0 HB3 LEU A 20 23.261 9.324 -15.350 1.00 0.00 H new ATOM 0 HG LEU A 20 23.388 9.342 -12.495 1.00 0.00 H new ATOM 0 HD11 LEU A 20 25.400 7.983 -12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 20 24.002 6.990 -12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 20 25.281 7.350 -13.773 1.00 0.00 H new ATOM 0 HD21 LEU A 20 25.600 10.332 -12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 20 25.494 9.850 -14.615 1.00 0.00 H new ATOM 0 HD23 LEU A 20 24.347 11.038 -13.952 1.00 0.00 H new ATOM 254 N GLU A 21 19.972 10.445 -13.135 1.00 0.00 N ATOM 255 CA GLU A 21 19.534 11.709 -12.569 1.00 0.00 C ATOM 256 C GLU A 21 19.510 11.627 -11.041 1.00 0.00 C ATOM 257 O GLU A 21 19.432 10.537 -10.476 1.00 0.00 O ATOM 258 CB GLU A 21 18.163 12.109 -13.118 1.00 0.00 C ATOM 259 CG GLU A 21 18.299 12.844 -14.453 1.00 0.00 C ATOM 260 CD GLU A 21 18.018 14.339 -14.287 1.00 0.00 C ATOM 261 OE1 GLU A 21 16.876 14.661 -13.894 1.00 0.00 O ATOM 262 OE2 GLU A 21 18.951 15.126 -14.557 1.00 0.00 O ATOM 0 H GLU A 21 19.272 9.703 -13.115 1.00 0.00 H new ATOM 0 HA GLU A 21 20.246 12.481 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.547 11.220 -13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.651 12.748 -12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.304 12.701 -14.850 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.606 12.418 -15.179 1.00 0.00 H new ATOM 269 N ARG A 22 19.580 12.793 -10.417 1.00 0.00 N ATOM 270 CA ARG A 22 19.567 12.867 -8.966 1.00 0.00 C ATOM 271 C ARG A 22 20.603 11.907 -8.377 1.00 0.00 C ATOM 272 O ARG A 22 20.343 10.712 -8.246 1.00 0.00 O ATOM 273 CB ARG A 22 18.185 12.521 -8.408 1.00 0.00 C ATOM 274 CG ARG A 22 17.661 13.641 -7.507 1.00 0.00 C ATOM 275 CD ARG A 22 16.187 13.423 -7.163 1.00 0.00 C ATOM 276 NE ARG A 22 15.339 13.758 -8.329 1.00 0.00 N ATOM 277 CZ ARG A 22 14.042 13.438 -8.433 1.00 0.00 C ATOM 278 NH1 ARG A 22 13.436 12.772 -7.441 1.00 0.00 N ATOM 279 NH2 ARG A 22 13.352 13.784 -9.528 1.00 0.00 N ATOM 0 H ARG A 22 19.646 13.695 -10.890 1.00 0.00 H new ATOM 0 HA ARG A 22 19.813 13.891 -8.684 1.00 0.00 H new ATOM 0 HB2 ARG A 22 17.488 12.355 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.240 11.590 -7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.250 13.681 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 22 17.783 14.602 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 22 16.023 12.386 -6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 22 15.909 14.043 -6.311 1.00 0.00 H new ATOM 0 HE ARG A 22 15.769 14.265 -9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.962 12.509 -6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.449 12.528 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.814 14.291 -10.283 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.365 13.540 -9.607 1.00 0.00 H new ATOM 293 N THR A 23 21.755 12.466 -8.037 1.00 0.00 N ATOM 294 CA THR A 23 22.831 11.674 -7.465 1.00 0.00 C ATOM 295 C THR A 23 22.526 11.336 -6.005 1.00 0.00 C ATOM 296 O THR A 23 22.384 10.166 -5.651 1.00 0.00 O ATOM 297 CB THR A 23 24.137 12.448 -7.649 1.00 0.00 C ATOM 298 OG1 THR A 23 24.609 12.034 -8.929 1.00 0.00 O ATOM 299 CG2 THR A 23 25.231 11.990 -6.683 1.00 0.00 C ATOM 0 H THR A 23 21.967 13.458 -8.147 1.00 0.00 H new ATOM 0 HA THR A 23 22.930 10.715 -7.974 1.00 0.00 H new ATOM 0 HB THR A 23 23.950 13.512 -7.507 1.00 0.00 H new ATOM 0 HG1 THR A 23 25.453 12.490 -9.130 1.00 0.00 H new ATOM 0 HG21 THR A 23 26.136 12.572 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 23 24.895 12.138 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 23 25.442 10.933 -6.847 1.00 0.00 H new ATOM 307 N LEU A 24 22.433 12.381 -5.196 1.00 0.00 N ATOM 308 CA LEU A 24 22.148 12.209 -3.781 1.00 0.00 C ATOM 309 C LEU A 24 20.961 11.258 -3.617 1.00 0.00 C ATOM 310 O LEU A 24 20.060 11.233 -4.455 1.00 0.00 O ATOM 311 CB LEU A 24 21.945 13.568 -3.107 1.00 0.00 C ATOM 312 CG LEU A 24 23.200 14.222 -2.525 1.00 0.00 C ATOM 313 CD1 LEU A 24 23.604 13.556 -1.208 1.00 0.00 C ATOM 314 CD2 LEU A 24 24.342 14.219 -3.543 1.00 0.00 C ATOM 0 H LEU A 24 22.550 13.350 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 24 22.997 11.751 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.508 14.251 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 21.216 13.448 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 24 22.971 15.264 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 24 24.499 14.039 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 24 22.792 13.654 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 24 23.809 12.500 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.222 14.689 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.580 13.192 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.039 14.773 -4.431 1.00 0.00 H new ATOM 326 N ASP A 25 20.998 10.499 -2.532 1.00 0.00 N ATOM 327 CA ASP A 25 19.936 9.548 -2.247 1.00 0.00 C ATOM 328 C ASP A 25 18.610 10.299 -2.105 1.00 0.00 C ATOM 329 O ASP A 25 18.598 11.510 -1.891 1.00 0.00 O ATOM 330 CB ASP A 25 20.201 8.804 -0.936 1.00 0.00 C ATOM 331 CG ASP A 25 20.266 7.281 -1.060 1.00 0.00 C ATOM 332 OD1 ASP A 25 19.189 6.655 -0.949 1.00 0.00 O ATOM 333 OD2 ASP A 25 21.391 6.775 -1.263 1.00 0.00 O ATOM 0 H ASP A 25 21.746 10.523 -1.839 1.00 0.00 H new ATOM 0 HA ASP A 25 19.895 8.831 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 25 21.142 9.160 -0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 25 19.417 9.063 -0.224 1.00 0.00 H new ATOM 338 N ASP A 26 17.526 9.548 -2.230 1.00 0.00 N ATOM 339 CA ASP A 26 16.198 10.126 -2.119 1.00 0.00 C ATOM 340 C ASP A 26 15.150 9.041 -2.373 1.00 0.00 C ATOM 341 O ASP A 26 15.424 8.057 -3.059 1.00 0.00 O ATOM 342 CB ASP A 26 15.991 11.234 -3.153 1.00 0.00 C ATOM 343 CG ASP A 26 16.694 11.007 -4.493 1.00 0.00 C ATOM 344 OD1 ASP A 26 16.596 9.869 -4.999 1.00 0.00 O ATOM 345 OD2 ASP A 26 17.314 11.977 -4.980 1.00 0.00 O ATOM 0 H ASP A 26 17.540 8.544 -2.407 1.00 0.00 H new ATOM 0 HA ASP A 26 16.096 10.544 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.922 11.346 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.342 12.175 -2.730 1.00 0.00 H new ATOM 350 N VAL A 27 13.972 9.256 -1.807 1.00 0.00 N ATOM 351 CA VAL A 27 12.882 8.308 -1.964 1.00 0.00 C ATOM 352 C VAL A 27 12.860 7.797 -3.406 1.00 0.00 C ATOM 353 O VAL A 27 13.387 8.448 -4.307 1.00 0.00 O ATOM 354 CB VAL A 27 11.562 8.953 -1.537 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.479 9.078 -0.015 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.375 10.315 -2.210 1.00 0.00 C ATOM 0 H VAL A 27 13.748 10.073 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 27 13.030 7.444 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 27 10.751 8.303 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.531 9.540 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.545 8.088 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.302 9.696 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.429 10.752 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.194 10.976 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.368 10.188 -3.293 1.00 0.00 H new ATOM 366 N PRO A 28 12.228 6.606 -3.584 1.00 0.00 N ATOM 367 CA PRO A 28 12.130 6.001 -4.901 1.00 0.00 C ATOM 368 C PRO A 28 11.088 6.721 -5.760 1.00 0.00 C ATOM 369 O PRO A 28 10.345 7.565 -5.262 1.00 0.00 O ATOM 370 CB PRO A 28 11.780 4.545 -4.640 1.00 0.00 C ATOM 371 CG PRO A 28 11.239 4.494 -3.220 1.00 0.00 C ATOM 372 CD PRO A 28 11.592 5.808 -2.540 1.00 0.00 C ATOM 0 HA PRO A 28 13.057 6.079 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.038 4.188 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.657 3.907 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.159 4.346 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.672 3.654 -2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.703 6.303 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.265 5.650 -1.697 1.00 0.00 H new ATOM 380 N GLY A 29 11.068 6.361 -7.035 1.00 0.00 N ATOM 381 CA GLY A 29 10.130 6.963 -7.967 1.00 0.00 C ATOM 382 C GLY A 29 8.812 6.186 -7.997 1.00 0.00 C ATOM 383 O GLY A 29 8.553 5.363 -7.121 1.00 0.00 O ATOM 0 H GLY A 29 11.686 5.660 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.940 7.997 -7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.567 6.984 -8.965 1.00 0.00 H new ATOM 387 N PRO A 30 7.993 6.484 -9.041 1.00 0.00 N ATOM 388 CA PRO A 30 6.708 5.823 -9.196 1.00 0.00 C ATOM 389 C PRO A 30 6.886 4.390 -9.700 1.00 0.00 C ATOM 390 O PRO A 30 7.654 4.146 -10.630 1.00 0.00 O ATOM 391 CB PRO A 30 5.929 6.700 -10.163 1.00 0.00 C ATOM 392 CG PRO A 30 6.963 7.561 -10.871 1.00 0.00 C ATOM 393 CD PRO A 30 8.267 7.454 -10.097 1.00 0.00 C ATOM 0 HA PRO A 30 6.172 5.719 -8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.371 6.094 -10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.204 7.317 -9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.100 7.225 -11.899 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.630 8.598 -10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.082 7.121 -10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.562 8.418 -9.682 1.00 0.00 H new ATOM 401 N PRO A 31 6.146 3.455 -9.047 1.00 0.00 N ATOM 402 CA PRO A 31 6.214 2.052 -9.419 1.00 0.00 C ATOM 403 C PRO A 31 5.456 1.792 -10.722 1.00 0.00 C ATOM 404 O PRO A 31 4.227 1.829 -10.747 1.00 0.00 O ATOM 405 CB PRO A 31 5.631 1.301 -8.233 1.00 0.00 C ATOM 406 CG PRO A 31 4.835 2.326 -7.442 1.00 0.00 C ATOM 407 CD PRO A 31 5.227 3.707 -7.941 1.00 0.00 C ATOM 0 HA PRO A 31 7.232 1.720 -9.622 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.993 0.482 -8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.420 0.863 -7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.765 2.162 -7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.044 2.232 -6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.355 4.271 -8.272 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.705 4.291 -7.155 1.00 0.00 H new ATOM 415 N MET A 32 6.220 1.536 -11.773 1.00 0.00 N ATOM 416 CA MET A 32 5.636 1.270 -13.077 1.00 0.00 C ATOM 417 C MET A 32 5.406 -0.229 -13.279 1.00 0.00 C ATOM 418 O MET A 32 5.986 -1.051 -12.572 1.00 0.00 O ATOM 419 CB MET A 32 6.567 1.796 -14.171 1.00 0.00 C ATOM 420 CG MET A 32 7.959 1.173 -14.053 1.00 0.00 C ATOM 421 SD MET A 32 8.803 1.261 -15.623 1.00 0.00 S ATOM 422 CE MET A 32 10.441 0.758 -15.123 1.00 0.00 C ATOM 0 H MET A 32 7.239 1.507 -11.749 1.00 0.00 H new ATOM 0 HA MET A 32 4.673 1.777 -13.133 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.146 1.571 -15.151 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.643 2.881 -14.098 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.537 1.696 -13.291 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.876 0.134 -13.734 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.102 0.758 -15.990 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.823 1.453 -14.375 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.400 -0.245 -14.698 1.00 0.00 H new ATOM 432 N GLY A 33 4.558 -0.539 -14.249 1.00 0.00 N ATOM 433 CA GLY A 33 4.244 -1.925 -14.553 1.00 0.00 C ATOM 434 C GLY A 33 3.025 -2.399 -13.758 1.00 0.00 C ATOM 435 O GLY A 33 2.986 -3.538 -13.296 1.00 0.00 O ATOM 0 H GLY A 33 4.079 0.145 -14.834 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.050 -2.032 -15.620 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.102 -2.555 -14.320 1.00 0.00 H new ATOM 439 N ILE A 34 2.061 -1.500 -13.623 1.00 0.00 N ATOM 440 CA ILE A 34 0.845 -1.812 -12.892 1.00 0.00 C ATOM 441 C ILE A 34 -0.164 -2.462 -13.842 1.00 0.00 C ATOM 442 O ILE A 34 -0.683 -1.807 -14.744 1.00 0.00 O ATOM 443 CB ILE A 34 0.309 -0.565 -12.186 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.455 0.314 -11.682 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.659 -0.943 -11.064 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.417 -0.489 -10.803 1.00 0.00 C ATOM 0 H ILE A 34 2.098 -0.556 -14.007 1.00 0.00 H new ATOM 0 HA ILE A 34 1.051 -2.534 -12.102 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.253 0.023 -12.911 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.996 0.734 -12.530 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.052 1.153 -11.114 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.025 -0.038 -10.579 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.500 -1.497 -11.481 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.143 -1.564 -10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.222 0.160 -10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.878 -0.887 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.837 -1.312 -11.381 1.00 0.00 H new ATOM 458 N LEU A 35 -0.411 -3.742 -13.605 1.00 0.00 N ATOM 459 CA LEU A 35 -1.348 -4.488 -14.428 1.00 0.00 C ATOM 460 C LEU A 35 -2.269 -5.311 -13.526 1.00 0.00 C ATOM 461 O LEU A 35 -1.869 -5.729 -12.440 1.00 0.00 O ATOM 462 CB LEU A 35 -0.600 -5.322 -15.470 1.00 0.00 C ATOM 463 CG LEU A 35 0.268 -4.541 -16.458 1.00 0.00 C ATOM 464 CD1 LEU A 35 1.156 -5.484 -17.273 1.00 0.00 C ATOM 465 CD2 LEU A 35 -0.591 -3.645 -17.353 1.00 0.00 C ATOM 0 H LEU A 35 0.021 -4.281 -12.855 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.983 -3.807 -14.995 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.034 -6.037 -14.946 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.331 -5.899 -16.037 1.00 0.00 H new ATOM 0 HG LEU A 35 0.930 -3.888 -15.889 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.763 -4.903 -17.968 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.808 -6.042 -16.601 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.531 -6.180 -17.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.051 -3.101 -18.046 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.294 -4.259 -17.915 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.142 -2.936 -16.736 1.00 0.00 H new ATOM 477 N PHE A 36 -3.485 -5.521 -14.009 1.00 0.00 N ATOM 478 CA PHE A 36 -4.466 -6.288 -13.260 1.00 0.00 C ATOM 479 C PHE A 36 -4.799 -7.599 -13.974 1.00 0.00 C ATOM 480 O PHE A 36 -5.693 -7.641 -14.818 1.00 0.00 O ATOM 481 CB PHE A 36 -5.732 -5.432 -13.174 1.00 0.00 C ATOM 482 CG PHE A 36 -5.615 -4.242 -12.220 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.905 -4.397 -10.900 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.221 -3.028 -12.691 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.796 -3.293 -10.015 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.113 -1.924 -11.806 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.403 -2.079 -10.486 1.00 0.00 C ATOM 0 H PHE A 36 -3.813 -5.173 -14.910 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.072 -6.533 -12.274 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.977 -5.063 -14.170 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.562 -6.061 -12.854 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.218 -5.360 -10.525 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.990 -2.904 -13.739 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.025 -3.417 -8.967 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.800 -0.960 -12.181 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.321 -1.239 -9.812 1.00 0.00 H new ATOM 497 N PRO A 37 -4.042 -8.665 -13.600 1.00 0.00 N ATOM 498 CA PRO A 37 -4.247 -9.975 -14.196 1.00 0.00 C ATOM 499 C PRO A 37 -5.512 -10.636 -13.644 1.00 0.00 C ATOM 500 O PRO A 37 -6.344 -11.125 -14.406 1.00 0.00 O ATOM 501 CB PRO A 37 -2.982 -10.755 -13.877 1.00 0.00 C ATOM 502 CG PRO A 37 -2.317 -10.018 -12.726 1.00 0.00 C ATOM 503 CD PRO A 37 -2.974 -8.652 -12.605 1.00 0.00 C ATOM 0 HA PRO A 37 -4.408 -9.927 -15.273 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.216 -11.783 -13.599 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.323 -10.802 -14.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.429 -10.579 -11.798 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.247 -9.912 -12.908 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.369 -8.490 -11.602 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.261 -7.851 -12.800 1.00 0.00 H new ATOM 511 N GLU A 38 -5.617 -10.628 -12.323 1.00 0.00 N ATOM 512 CA GLU A 38 -6.766 -11.220 -11.660 1.00 0.00 C ATOM 513 C GLU A 38 -7.562 -10.146 -10.916 1.00 0.00 C ATOM 514 O GLU A 38 -7.054 -9.529 -9.980 1.00 0.00 O ATOM 515 CB GLU A 38 -6.335 -12.340 -10.711 1.00 0.00 C ATOM 516 CG GLU A 38 -7.517 -12.838 -9.877 1.00 0.00 C ATOM 517 CD GLU A 38 -7.050 -13.803 -8.785 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.644 -13.297 -7.717 1.00 0.00 O ATOM 519 OE2 GLU A 38 -7.110 -15.024 -9.044 1.00 0.00 O ATOM 0 H GLU A 38 -4.925 -10.221 -11.694 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.411 -11.661 -12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.917 -13.167 -11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.546 -11.979 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.029 -11.990 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.239 -13.337 -10.524 1.00 0.00 H new ATOM 526 N VAL A 39 -8.796 -9.956 -11.358 1.00 0.00 N ATOM 527 CA VAL A 39 -9.666 -8.967 -10.745 1.00 0.00 C ATOM 528 C VAL A 39 -11.087 -9.528 -10.660 1.00 0.00 C ATOM 529 O VAL A 39 -11.659 -9.936 -11.670 1.00 0.00 O ATOM 530 CB VAL A 39 -9.589 -7.650 -11.520 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.671 -6.674 -11.052 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.198 -7.024 -11.401 1.00 0.00 C ATOM 0 H VAL A 39 -9.214 -10.470 -12.133 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.340 -8.750 -9.728 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.769 -7.870 -12.572 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.594 -5.746 -11.619 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.654 -7.117 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.537 -6.463 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.171 -6.089 -11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.977 -6.825 -10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.454 -7.711 -11.805 1.00 0.00 H new ATOM 542 N ARG A 40 -11.616 -9.530 -9.445 1.00 0.00 N ATOM 543 CA ARG A 40 -12.959 -10.034 -9.215 1.00 0.00 C ATOM 544 C ARG A 40 -13.852 -8.927 -8.651 1.00 0.00 C ATOM 545 O ARG A 40 -13.503 -7.749 -8.716 1.00 0.00 O ATOM 546 CB ARG A 40 -12.945 -11.215 -8.241 1.00 0.00 C ATOM 547 CG ARG A 40 -11.608 -11.955 -8.297 1.00 0.00 C ATOM 548 CD ARG A 40 -11.571 -13.098 -7.280 1.00 0.00 C ATOM 549 NE ARG A 40 -12.025 -14.355 -7.915 1.00 0.00 N ATOM 550 CZ ARG A 40 -12.258 -15.493 -7.247 1.00 0.00 C ATOM 551 NH1 ARG A 40 -12.081 -15.539 -5.920 1.00 0.00 N ATOM 552 NH2 ARG A 40 -12.668 -16.585 -7.907 1.00 0.00 N ATOM 0 H ARG A 40 -11.139 -9.191 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.355 -10.372 -10.173 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.125 -10.857 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.755 -11.902 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.449 -12.351 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.794 -11.258 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.559 -13.220 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.209 -12.860 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.170 -14.355 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.769 -14.708 -5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.258 -16.405 -5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.803 -16.550 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.845 -17.451 -7.399 1.00 0.00 H new ATOM 566 N THR A 41 -14.987 -9.345 -8.109 1.00 0.00 N ATOM 567 CA THR A 41 -15.932 -8.403 -7.534 1.00 0.00 C ATOM 568 C THR A 41 -15.373 -7.808 -6.240 1.00 0.00 C ATOM 569 O THR A 41 -14.755 -6.745 -6.258 1.00 0.00 O ATOM 570 CB THR A 41 -17.265 -9.129 -7.342 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.890 -10.476 -7.065 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.072 -9.226 -8.638 1.00 0.00 C ATOM 0 H THR A 41 -15.273 -10.323 -8.056 1.00 0.00 H new ATOM 0 HA THR A 41 -16.099 -7.555 -8.199 1.00 0.00 H new ATOM 0 HB THR A 41 -17.854 -8.610 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.695 -11.017 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.008 -9.750 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.287 -8.224 -9.009 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.497 -9.774 -9.385 1.00 0.00 H new ATOM 580 N THR A 42 -15.608 -8.521 -5.148 1.00 0.00 N ATOM 581 CA THR A 42 -15.135 -8.077 -3.848 1.00 0.00 C ATOM 582 C THR A 42 -13.717 -8.592 -3.592 1.00 0.00 C ATOM 583 O THR A 42 -13.273 -8.656 -2.447 1.00 0.00 O ATOM 584 CB THR A 42 -16.147 -8.534 -2.795 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.168 -9.953 -2.928 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.577 -8.107 -3.133 1.00 0.00 C ATOM 0 H THR A 42 -16.120 -9.403 -5.137 1.00 0.00 H new ATOM 0 HA THR A 42 -15.065 -6.990 -3.803 1.00 0.00 H new ATOM 0 HB THR A 42 -15.868 -8.129 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.798 -10.333 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.255 -8.456 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.627 -7.020 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.870 -8.540 -4.090 1.00 0.00 H new ATOM 594 N SER A 43 -13.046 -8.946 -4.678 1.00 0.00 N ATOM 595 CA SER A 43 -11.687 -9.453 -4.586 1.00 0.00 C ATOM 596 C SER A 43 -10.948 -9.213 -5.903 1.00 0.00 C ATOM 597 O SER A 43 -11.511 -9.408 -6.979 1.00 0.00 O ATOM 598 CB SER A 43 -11.678 -10.943 -4.236 1.00 0.00 C ATOM 599 OG SER A 43 -12.996 -11.479 -4.148 1.00 0.00 O ATOM 0 H SER A 43 -13.418 -8.892 -5.626 1.00 0.00 H new ATOM 0 HA SER A 43 -11.175 -8.916 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.114 -11.490 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.163 -11.089 -3.287 1.00 0.00 H new ATOM 0 HG SER A 43 -12.947 -12.432 -3.925 1.00 0.00 H new ATOM 605 N VAL A 44 -9.698 -8.792 -5.775 1.00 0.00 N ATOM 606 CA VAL A 44 -8.876 -8.523 -6.943 1.00 0.00 C ATOM 607 C VAL A 44 -7.416 -8.846 -6.619 1.00 0.00 C ATOM 608 O VAL A 44 -7.088 -9.177 -5.480 1.00 0.00 O ATOM 609 CB VAL A 44 -9.080 -7.078 -7.404 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.554 -6.679 -7.320 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.204 -6.117 -6.599 1.00 0.00 C ATOM 0 H VAL A 44 -9.235 -8.631 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.173 -9.161 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.775 -7.013 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.671 -5.648 -7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.146 -7.336 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.897 -6.769 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.368 -5.097 -6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.463 -6.186 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.155 -6.382 -6.733 1.00 0.00 H new ATOM 621 N ARG A 45 -6.579 -8.740 -7.640 1.00 0.00 N ATOM 622 CA ARG A 45 -5.162 -9.018 -7.478 1.00 0.00 C ATOM 623 C ARG A 45 -4.365 -8.396 -8.627 1.00 0.00 C ATOM 624 O ARG A 45 -4.433 -8.868 -9.761 1.00 0.00 O ATOM 625 CB ARG A 45 -4.897 -10.524 -7.439 1.00 0.00 C ATOM 626 CG ARG A 45 -3.401 -10.814 -7.294 1.00 0.00 C ATOM 627 CD ARG A 45 -3.011 -12.078 -8.063 1.00 0.00 C ATOM 628 NE ARG A 45 -3.008 -13.244 -7.151 1.00 0.00 N ATOM 629 CZ ARG A 45 -1.974 -13.584 -6.370 1.00 0.00 C ATOM 630 NH1 ARG A 45 -0.853 -12.850 -6.384 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.060 -14.659 -5.574 1.00 0.00 N ATOM 0 H ARG A 45 -6.855 -8.465 -8.583 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.844 -8.581 -6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.440 -10.971 -6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.274 -10.987 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.825 -9.966 -7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.150 -10.933 -6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.712 -12.247 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.025 -11.952 -8.509 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.846 -13.825 -7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.787 -12.032 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.066 -13.109 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.913 -15.218 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.273 -14.918 -4.979 1.00 0.00 H new ATOM 645 N LEU A 46 -3.627 -7.347 -8.294 1.00 0.00 N ATOM 646 CA LEU A 46 -2.818 -6.657 -9.283 1.00 0.00 C ATOM 647 C LEU A 46 -1.339 -6.945 -9.018 1.00 0.00 C ATOM 648 O LEU A 46 -0.989 -7.509 -7.982 1.00 0.00 O ATOM 649 CB LEU A 46 -3.159 -5.165 -9.307 1.00 0.00 C ATOM 650 CG LEU A 46 -2.339 -4.275 -8.371 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.326 -2.826 -8.863 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.842 -4.386 -6.930 1.00 0.00 C ATOM 0 H LEU A 46 -3.573 -6.958 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.041 -7.028 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.033 -4.800 -10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.213 -5.049 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.308 -4.627 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.736 -2.215 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.886 -2.784 -9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.347 -2.446 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.242 -3.744 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.885 -4.074 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.757 -5.419 -6.593 1.00 0.00 H new ATOM 664 N ILE A 47 -0.511 -6.546 -9.972 1.00 0.00 N ATOM 665 CA ILE A 47 0.922 -6.755 -9.855 1.00 0.00 C ATOM 666 C ILE A 47 1.657 -5.506 -10.344 1.00 0.00 C ATOM 667 O ILE A 47 1.255 -4.891 -11.331 1.00 0.00 O ATOM 668 CB ILE A 47 1.338 -8.037 -10.579 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.493 -7.792 -12.082 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.361 -9.176 -10.282 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.157 -7.394 -12.713 1.00 0.00 C ATOM 0 H ILE A 47 -0.805 -6.079 -10.830 1.00 0.00 H new ATOM 0 HA ILE A 47 1.201 -6.901 -8.812 1.00 0.00 H new ATOM 0 HB ILE A 47 2.313 -8.342 -10.200 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.228 -7.005 -12.252 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.873 -8.693 -12.564 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.680 -10.075 -10.809 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.344 -9.370 -9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.638 -8.895 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.295 -7.226 -13.781 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.569 -8.193 -12.562 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.208 -6.479 -12.246 1.00 0.00 H new ATOM 683 N TRP A 48 2.722 -5.167 -9.632 1.00 0.00 N ATOM 684 CA TRP A 48 3.516 -4.002 -9.982 1.00 0.00 C ATOM 685 C TRP A 48 4.988 -4.420 -9.992 1.00 0.00 C ATOM 686 O TRP A 48 5.310 -5.579 -9.737 1.00 0.00 O ATOM 687 CB TRP A 48 3.232 -2.838 -9.030 1.00 0.00 C ATOM 688 CG TRP A 48 3.701 -3.080 -7.594 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.817 -2.629 -7.004 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.018 -3.853 -6.585 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.902 -3.053 -5.693 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.773 -3.821 -5.430 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.801 -4.555 -6.645 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.397 -4.473 -4.250 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.440 -5.201 -5.457 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.189 -5.179 -4.287 1.00 0.00 C ATOM 0 H TRP A 48 3.053 -5.679 -8.814 1.00 0.00 H new ATOM 0 HA TRP A 48 3.250 -3.638 -10.974 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.718 -1.941 -9.414 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.160 -2.641 -9.023 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.556 -2.012 -7.493 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.655 -2.842 -5.038 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.193 -4.593 -7.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.006 -4.433 -3.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.514 -5.756 -5.449 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.841 -5.704 -3.410 1.00 0.00 H new ATOM 707 N GLN A 49 5.843 -3.452 -10.289 1.00 0.00 N ATOM 708 CA GLN A 49 7.273 -3.704 -10.336 1.00 0.00 C ATOM 709 C GLN A 49 8.036 -2.567 -9.653 1.00 0.00 C ATOM 710 O GLN A 49 7.492 -1.482 -9.454 1.00 0.00 O ATOM 711 CB GLN A 49 7.749 -3.895 -11.777 1.00 0.00 C ATOM 712 CG GLN A 49 7.693 -5.370 -12.182 1.00 0.00 C ATOM 713 CD GLN A 49 8.561 -5.633 -13.414 1.00 0.00 C ATOM 714 OE1 GLN A 49 9.679 -6.113 -13.327 1.00 0.00 O ATOM 715 NE2 GLN A 49 7.986 -5.293 -14.564 1.00 0.00 N ATOM 0 H GLN A 49 5.572 -2.491 -10.500 1.00 0.00 H new ATOM 0 HA GLN A 49 7.477 -4.628 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.127 -3.305 -12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.769 -3.525 -11.879 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.033 -5.992 -11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.662 -5.654 -12.392 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.047 -4.896 -14.567 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.484 -5.430 -15.443 1.00 0.00 H new ATOM 724 N PRO A 50 9.316 -2.863 -9.302 1.00 0.00 N ATOM 725 CA PRO A 50 10.159 -1.878 -8.646 1.00 0.00 C ATOM 726 C PRO A 50 10.639 -0.817 -9.639 1.00 0.00 C ATOM 727 O PRO A 50 10.753 -1.087 -10.833 1.00 0.00 O ATOM 728 CB PRO A 50 11.298 -2.679 -8.036 1.00 0.00 C ATOM 729 CG PRO A 50 11.304 -4.014 -8.762 1.00 0.00 C ATOM 730 CD PRO A 50 9.993 -4.138 -9.522 1.00 0.00 C ATOM 0 HA PRO A 50 9.628 -1.316 -7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.250 -2.162 -8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.149 -2.817 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.149 -4.072 -9.448 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.413 -4.834 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.166 -4.317 -10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.397 -4.972 -9.151 1.00 0.00 H new ATOM 738 N PRO A 51 10.913 0.398 -9.093 1.00 0.00 N ATOM 739 CA PRO A 51 11.377 1.500 -9.918 1.00 0.00 C ATOM 740 C PRO A 51 12.843 1.309 -10.314 1.00 0.00 C ATOM 741 O PRO A 51 13.710 1.172 -9.453 1.00 0.00 O ATOM 742 CB PRO A 51 11.147 2.745 -9.077 1.00 0.00 C ATOM 743 CG PRO A 51 10.998 2.258 -7.644 1.00 0.00 C ATOM 744 CD PRO A 51 10.788 0.754 -7.683 1.00 0.00 C ATOM 0 HA PRO A 51 10.842 1.571 -10.865 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.983 3.438 -9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.254 3.277 -9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.886 2.504 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.154 2.749 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.530 0.235 -7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.808 0.481 -7.291 1.00 0.00 H new ATOM 752 N ALA A 52 13.074 1.305 -11.619 1.00 0.00 N ATOM 753 CA ALA A 52 14.419 1.133 -12.140 1.00 0.00 C ATOM 754 C ALA A 52 15.392 1.981 -11.319 1.00 0.00 C ATOM 755 O ALA A 52 16.560 1.624 -11.169 1.00 0.00 O ATOM 756 CB ALA A 52 14.442 1.495 -13.626 1.00 0.00 C ATOM 0 H ALA A 52 12.352 1.418 -12.331 1.00 0.00 H new ATOM 0 HA ALA A 52 14.733 0.093 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.451 1.366 -14.016 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.757 0.845 -14.170 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.134 2.533 -13.752 1.00 0.00 H new ATOM 762 N ALA A 53 14.875 3.089 -10.807 1.00 0.00 N ATOM 763 CA ALA A 53 15.684 3.991 -10.005 1.00 0.00 C ATOM 764 C ALA A 53 15.121 4.045 -8.583 1.00 0.00 C ATOM 765 O ALA A 53 14.339 4.936 -8.255 1.00 0.00 O ATOM 766 CB ALA A 53 15.724 5.368 -10.669 1.00 0.00 C ATOM 0 H ALA A 53 13.906 3.382 -10.932 1.00 0.00 H new ATOM 0 HA ALA A 53 16.711 3.631 -9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.331 6.045 -10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.158 5.279 -11.665 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.711 5.763 -10.749 1.00 0.00 H new ATOM 772 N PRO A 54 15.552 3.055 -7.756 1.00 0.00 N ATOM 773 CA PRO A 54 15.100 2.982 -6.377 1.00 0.00 C ATOM 774 C PRO A 54 15.786 4.045 -5.518 1.00 0.00 C ATOM 775 O PRO A 54 15.180 4.589 -4.595 1.00 0.00 O ATOM 776 CB PRO A 54 15.419 1.563 -5.934 1.00 0.00 C ATOM 777 CG PRO A 54 16.452 1.041 -6.918 1.00 0.00 C ATOM 778 CD PRO A 54 16.478 1.983 -8.111 1.00 0.00 C ATOM 0 HA PRO A 54 14.035 3.188 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.808 1.550 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.524 0.941 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.435 0.992 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.199 0.029 -7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.482 2.369 -8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.165 1.475 -9.023 1.00 0.00 H new ATOM 786 N ASN A 55 17.041 4.311 -5.851 1.00 0.00 N ATOM 787 CA ASN A 55 17.815 5.300 -5.122 1.00 0.00 C ATOM 788 C ASN A 55 17.535 5.158 -3.624 1.00 0.00 C ATOM 789 O ASN A 55 17.404 6.155 -2.916 1.00 0.00 O ATOM 790 CB ASN A 55 17.431 6.720 -5.542 1.00 0.00 C ATOM 791 CG ASN A 55 17.044 6.769 -7.021 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.881 6.812 -7.907 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.732 6.759 -7.237 1.00 0.00 N ATOM 0 H ASN A 55 17.541 3.858 -6.616 1.00 0.00 H new ATOM 0 HA ASN A 55 18.869 5.132 -5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.598 7.070 -4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.266 7.396 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.372 6.788 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.086 6.722 -6.449 1.00 0.00 H new ATOM 800 N GLY A 56 17.452 3.910 -3.186 1.00 0.00 N ATOM 801 CA GLY A 56 17.190 3.625 -1.786 1.00 0.00 C ATOM 802 C GLY A 56 16.690 2.190 -1.603 1.00 0.00 C ATOM 803 O GLY A 56 15.768 1.758 -2.293 1.00 0.00 O ATOM 0 H GLY A 56 17.562 3.085 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.100 3.774 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.448 4.324 -1.401 1.00 0.00 H new ATOM 807 N ILE A 57 17.321 1.492 -0.670 1.00 0.00 N ATOM 808 CA ILE A 57 16.952 0.116 -0.388 1.00 0.00 C ATOM 809 C ILE A 57 15.496 0.069 0.083 1.00 0.00 C ATOM 810 O ILE A 57 15.175 0.552 1.167 1.00 0.00 O ATOM 811 CB ILE A 57 17.938 -0.512 0.599 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.197 -1.000 -0.119 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.270 -1.627 1.407 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.622 -0.015 -1.211 1.00 0.00 C ATOM 0 H ILE A 57 18.085 1.854 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 57 17.015 -0.488 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 57 18.249 0.257 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.006 -1.122 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.012 -1.980 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.993 -2.057 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.429 -1.217 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.912 -2.403 0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.520 -0.386 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.820 0.086 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.830 0.957 -0.764 1.00 0.00 H new ATOM 826 N ILE A 58 14.655 -0.518 -0.757 1.00 0.00 N ATOM 827 CA ILE A 58 13.242 -0.634 -0.440 1.00 0.00 C ATOM 828 C ILE A 58 13.079 -1.401 0.874 1.00 0.00 C ATOM 829 O ILE A 58 13.661 -2.471 1.048 1.00 0.00 O ATOM 830 CB ILE A 58 12.480 -1.254 -1.613 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.736 -0.478 -2.906 1.00 0.00 C ATOM 832 CG2 ILE A 58 10.986 -1.366 -1.298 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.358 0.996 -2.745 1.00 0.00 C ATOM 0 H ILE A 58 14.925 -0.918 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 58 12.803 0.352 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 58 12.854 -2.266 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.788 -0.559 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.159 -0.918 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.467 -1.810 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.846 -1.995 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.580 -0.373 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.550 1.525 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.300 1.075 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.954 1.440 -1.948 1.00 0.00 H new ATOM 845 N LEU A 59 12.286 -0.824 1.765 1.00 0.00 N ATOM 846 CA LEU A 59 12.040 -1.440 3.057 1.00 0.00 C ATOM 847 C LEU A 59 10.662 -2.105 3.046 1.00 0.00 C ATOM 848 O LEU A 59 10.407 -3.025 3.822 1.00 0.00 O ATOM 849 CB LEU A 59 12.220 -0.417 4.181 1.00 0.00 C ATOM 850 CG LEU A 59 13.475 0.454 4.100 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.497 1.489 5.226 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.740 -0.406 4.086 1.00 0.00 C ATOM 0 H LEU A 59 11.806 0.064 1.617 1.00 0.00 H new ATOM 0 HA LEU A 59 12.772 -2.224 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.348 0.237 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.232 -0.950 5.132 1.00 0.00 H new ATOM 0 HG LEU A 59 13.450 1.003 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.399 2.095 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.620 2.131 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.487 0.979 6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.617 0.238 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.786 -1.000 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.719 -1.070 3.221 1.00 0.00 H new ATOM 864 N ALA A 60 9.810 -1.614 2.158 1.00 0.00 N ATOM 865 CA ALA A 60 8.465 -2.149 2.036 1.00 0.00 C ATOM 866 C ALA A 60 7.682 -1.321 1.015 1.00 0.00 C ATOM 867 O ALA A 60 8.254 -0.481 0.322 1.00 0.00 O ATOM 868 CB ALA A 60 7.794 -2.164 3.411 1.00 0.00 C ATOM 0 H ALA A 60 10.025 -0.851 1.516 1.00 0.00 H new ATOM 0 HA ALA A 60 8.493 -3.177 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.785 -2.565 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.373 -2.789 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.746 -1.148 3.804 1.00 0.00 H new ATOM 874 N TYR A 61 6.386 -1.587 0.954 1.00 0.00 N ATOM 875 CA TYR A 61 5.519 -0.878 0.029 1.00 0.00 C ATOM 876 C TYR A 61 4.146 -0.619 0.653 1.00 0.00 C ATOM 877 O TYR A 61 3.853 -1.110 1.742 1.00 0.00 O ATOM 878 CB TYR A 61 5.350 -1.798 -1.182 1.00 0.00 C ATOM 879 CG TYR A 61 6.494 -1.710 -2.194 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.651 -2.435 -1.992 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.369 -0.907 -3.309 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.728 -2.353 -2.944 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.446 -0.824 -4.261 1.00 0.00 C ATOM 884 CZ TYR A 61 8.572 -1.551 -4.032 1.00 0.00 C ATOM 885 OH TYR A 61 9.589 -1.474 -4.932 1.00 0.00 O ATOM 0 H TYR A 61 5.915 -2.284 1.531 1.00 0.00 H new ATOM 0 HA TYR A 61 5.950 0.087 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.264 -2.827 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.414 -1.552 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.748 -3.064 -1.120 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.463 -0.341 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.639 -2.915 -2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.361 -0.198 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 61 9.338 -0.865 -5.658 1.00 0.00 H new ATOM 895 N GLN A 62 3.341 0.151 -0.064 1.00 0.00 N ATOM 896 CA GLN A 62 2.006 0.481 0.405 1.00 0.00 C ATOM 897 C GLN A 62 1.005 0.412 -0.750 1.00 0.00 C ATOM 898 O GLN A 62 1.305 0.841 -1.863 1.00 0.00 O ATOM 899 CB GLN A 62 1.983 1.859 1.069 1.00 0.00 C ATOM 900 CG GLN A 62 0.657 2.096 1.795 1.00 0.00 C ATOM 901 CD GLN A 62 0.626 3.483 2.441 1.00 0.00 C ATOM 902 OE1 GLN A 62 1.117 3.697 3.537 1.00 0.00 O ATOM 903 NE2 GLN A 62 0.023 4.410 1.702 1.00 0.00 N ATOM 0 H GLN A 62 3.588 0.556 -0.967 1.00 0.00 H new ATOM 0 HA GLN A 62 1.715 -0.253 1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.808 1.940 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.132 2.632 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.169 2.000 1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.515 1.332 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.367 4.163 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.050 5.368 2.045 1.00 0.00 H new ATOM 912 N ILE A 63 -0.165 -0.131 -0.445 1.00 0.00 N ATOM 913 CA ILE A 63 -1.212 -0.262 -1.444 1.00 0.00 C ATOM 914 C ILE A 63 -2.532 0.249 -0.863 1.00 0.00 C ATOM 915 O ILE A 63 -3.043 -0.307 0.107 1.00 0.00 O ATOM 916 CB ILE A 63 -1.283 -1.700 -1.961 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.485 -1.858 -3.256 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.736 -2.152 -2.124 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.205 -3.222 -3.313 1.00 0.00 C ATOM 0 H ILE A 63 -0.411 -0.485 0.479 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.987 0.354 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.823 -2.353 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.150 -1.747 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.261 -1.066 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.759 -3.177 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.243 -2.101 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.242 -1.499 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.765 -3.308 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.887 -3.320 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.545 -4.011 -3.267 1.00 0.00 H new ATOM 931 N THR A 64 -3.045 1.303 -1.481 1.00 0.00 N ATOM 932 CA THR A 64 -4.295 1.895 -1.037 1.00 0.00 C ATOM 933 C THR A 64 -5.383 1.700 -2.095 1.00 0.00 C ATOM 934 O THR A 64 -5.172 1.996 -3.270 1.00 0.00 O ATOM 935 CB THR A 64 -4.030 3.364 -0.703 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.690 3.950 -1.956 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.774 3.553 0.150 1.00 0.00 C ATOM 0 H THR A 64 -2.618 1.762 -2.285 1.00 0.00 H new ATOM 0 HA THR A 64 -4.668 1.404 -0.138 1.00 0.00 H new ATOM 0 HB THR A 64 -4.891 3.777 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.062 3.408 -2.682 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.632 4.613 0.358 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.887 3.011 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.907 3.170 -0.389 1.00 0.00 H new ATOM 945 N HIS A 65 -6.524 1.202 -1.641 1.00 0.00 N ATOM 946 CA HIS A 65 -7.645 0.963 -2.533 1.00 0.00 C ATOM 947 C HIS A 65 -8.886 1.685 -2.003 1.00 0.00 C ATOM 948 O HIS A 65 -9.231 1.552 -0.830 1.00 0.00 O ATOM 949 CB HIS A 65 -7.871 -0.537 -2.733 1.00 0.00 C ATOM 950 CG HIS A 65 -7.897 -1.330 -1.448 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.810 -1.090 -0.437 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.113 -2.362 -1.022 1.00 0.00 C ATOM 953 CE1 HIS A 65 -8.577 -1.944 0.549 1.00 0.00 C ATOM 954 NE2 HIS A 65 -7.525 -2.731 0.184 1.00 0.00 N ATOM 0 H HIS A 65 -6.696 0.957 -0.666 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.423 1.372 -3.519 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.814 -0.685 -3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.083 -0.930 -3.375 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -9.539 -0.377 -0.449 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.296 -2.804 -1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.124 -2.006 1.478 1.00 0.00 H new ATOM 962 N ARG A 66 -9.522 2.432 -2.893 1.00 0.00 N ATOM 963 CA ARG A 66 -10.717 3.174 -2.529 1.00 0.00 C ATOM 964 C ARG A 66 -11.495 3.577 -3.784 1.00 0.00 C ATOM 965 O ARG A 66 -10.902 3.987 -4.780 1.00 0.00 O ATOM 966 CB ARG A 66 -10.363 4.431 -1.731 1.00 0.00 C ATOM 967 CG ARG A 66 -9.849 5.538 -2.653 1.00 0.00 C ATOM 968 CD ARG A 66 -9.023 6.563 -1.872 1.00 0.00 C ATOM 969 NE ARG A 66 -9.010 7.856 -2.591 1.00 0.00 N ATOM 970 CZ ARG A 66 -10.085 8.643 -2.741 1.00 0.00 C ATOM 971 NH1 ARG A 66 -11.264 8.273 -2.223 1.00 0.00 N ATOM 972 NH2 ARG A 66 -9.980 9.800 -3.408 1.00 0.00 N ATOM 0 H ARG A 66 -9.233 2.539 -3.865 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.334 2.525 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.242 4.782 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.604 4.192 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.240 5.103 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.691 6.035 -3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.442 6.696 -0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.004 6.199 -1.743 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.128 8.168 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.344 7.392 -1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.082 8.872 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.082 10.082 -3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.798 10.399 -3.522 1.00 0.00 H new ATOM 986 N LEU A 67 -12.810 3.445 -3.694 1.00 0.00 N ATOM 987 CA LEU A 67 -13.675 3.789 -4.809 1.00 0.00 C ATOM 988 C LEU A 67 -13.135 5.045 -5.498 1.00 0.00 C ATOM 989 O LEU A 67 -12.845 6.042 -4.840 1.00 0.00 O ATOM 990 CB LEU A 67 -15.126 3.920 -4.342 1.00 0.00 C ATOM 991 CG LEU A 67 -15.927 2.618 -4.271 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.650 2.346 -5.592 1.00 0.00 C ATOM 993 CD2 LEU A 67 -15.034 1.447 -3.854 1.00 0.00 C ATOM 0 H LEU A 67 -13.298 3.104 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.675 2.991 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.129 4.380 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.643 4.605 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.692 2.729 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.212 1.415 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.335 3.166 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.919 2.263 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.628 0.534 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.232 1.324 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.606 1.648 -2.872 1.00 0.00 H new ATOM 1005 N ASN A 68 -13.017 4.954 -6.815 1.00 0.00 N ATOM 1006 CA ASN A 68 -12.518 6.070 -7.600 1.00 0.00 C ATOM 1007 C ASN A 68 -13.502 7.237 -7.502 1.00 0.00 C ATOM 1008 O ASN A 68 -13.196 8.349 -7.930 1.00 0.00 O ATOM 1009 CB ASN A 68 -12.381 5.688 -9.075 1.00 0.00 C ATOM 1010 CG ASN A 68 -11.675 6.793 -9.864 1.00 0.00 C ATOM 1011 OD1 ASN A 68 -10.947 7.609 -9.324 1.00 0.00 O ATOM 1012 ND2 ASN A 68 -11.930 6.772 -11.169 1.00 0.00 N ATOM 0 H ASN A 68 -13.258 4.125 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.540 6.348 -7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.820 4.758 -9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.368 5.506 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.506 7.468 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.550 6.060 -11.556 1.00 0.00 H new ATOM 1019 N THR A 69 -14.664 6.945 -6.937 1.00 0.00 N ATOM 1020 CA THR A 69 -15.695 7.956 -6.778 1.00 0.00 C ATOM 1021 C THR A 69 -16.890 7.383 -6.014 1.00 0.00 C ATOM 1022 O THR A 69 -17.637 6.563 -6.547 1.00 0.00 O ATOM 1023 CB THR A 69 -16.057 8.484 -8.167 1.00 0.00 C ATOM 1024 OG1 THR A 69 -17.480 8.566 -8.148 1.00 0.00 O ATOM 1025 CG2 THR A 69 -15.757 7.472 -9.275 1.00 0.00 C ATOM 0 H THR A 69 -14.914 6.022 -6.583 1.00 0.00 H new ATOM 0 HA THR A 69 -15.339 8.794 -6.179 1.00 0.00 H new ATOM 0 HB THR A 69 -15.508 9.406 -8.359 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.800 8.901 -9.011 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.032 7.897 -10.240 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.693 7.235 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.332 6.562 -9.102 1.00 0.00 H new ATOM 1033 N THR A 70 -17.035 7.838 -4.778 1.00 0.00 N ATOM 1034 CA THR A 70 -18.128 7.381 -3.936 1.00 0.00 C ATOM 1035 C THR A 70 -18.127 8.136 -2.606 1.00 0.00 C ATOM 1036 O THR A 70 -17.379 9.098 -2.434 1.00 0.00 O ATOM 1037 CB THR A 70 -17.998 5.865 -3.775 1.00 0.00 C ATOM 1038 OG1 THR A 70 -19.346 5.404 -3.736 1.00 0.00 O ATOM 1039 CG2 THR A 70 -17.429 5.468 -2.411 1.00 0.00 C ATOM 0 H THR A 70 -16.414 8.518 -4.339 1.00 0.00 H new ATOM 0 HA THR A 70 -19.095 7.592 -4.393 1.00 0.00 H new ATOM 0 HB THR A 70 -17.359 5.469 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.467 4.813 -2.964 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.357 4.382 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.438 5.905 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.086 5.834 -1.622 1.00 0.00 H new ATOM 1047 N THR A 71 -18.974 7.672 -1.698 1.00 0.00 N ATOM 1048 CA THR A 71 -19.080 8.292 -0.388 1.00 0.00 C ATOM 1049 C THR A 71 -18.645 7.311 0.702 1.00 0.00 C ATOM 1050 O THR A 71 -19.366 6.366 1.017 1.00 0.00 O ATOM 1051 CB THR A 71 -20.516 8.793 -0.217 1.00 0.00 C ATOM 1052 OG1 THR A 71 -21.310 7.615 -0.335 1.00 0.00 O ATOM 1053 CG2 THR A 71 -20.973 9.669 -1.385 1.00 0.00 C ATOM 0 H THR A 71 -19.593 6.874 -1.844 1.00 0.00 H new ATOM 0 HA THR A 71 -18.410 9.147 -0.299 1.00 0.00 H new ATOM 0 HB THR A 71 -20.596 9.357 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 71 -20.816 6.850 0.028 1.00 0.00 H new ATOM 0 HG21 THR A 71 -21.998 9.998 -1.214 1.00 0.00 H new ATOM 0 HG22 THR A 71 -20.321 10.539 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 71 -20.926 9.095 -2.310 1.00 0.00 H new ATOM 1061 N ALA A 72 -17.466 7.570 1.250 1.00 0.00 N ATOM 1062 CA ALA A 72 -16.926 6.722 2.299 1.00 0.00 C ATOM 1063 C ALA A 72 -16.300 7.599 3.385 1.00 0.00 C ATOM 1064 O ALA A 72 -16.487 8.814 3.392 1.00 0.00 O ATOM 1065 CB ALA A 72 -15.923 5.737 1.694 1.00 0.00 C ATOM 0 H ALA A 72 -16.870 8.355 0.987 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.718 6.135 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.518 5.101 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.424 5.119 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.111 6.289 1.220 1.00 0.00 H new ATOM 1071 N ASN A 73 -15.568 6.947 4.278 1.00 0.00 N ATOM 1072 CA ASN A 73 -14.913 7.652 5.367 1.00 0.00 C ATOM 1073 C ASN A 73 -13.424 7.801 5.049 1.00 0.00 C ATOM 1074 O ASN A 73 -12.901 8.914 5.013 1.00 0.00 O ATOM 1075 CB ASN A 73 -15.042 6.878 6.680 1.00 0.00 C ATOM 1076 CG ASN A 73 -15.295 7.827 7.853 1.00 0.00 C ATOM 1077 OD1 ASN A 73 -16.415 8.218 8.138 1.00 0.00 O ATOM 1078 ND2 ASN A 73 -14.195 8.174 8.515 1.00 0.00 N ATOM 0 H ASN A 73 -15.414 5.939 4.269 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.391 8.626 5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.859 6.161 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.132 6.306 6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.258 8.804 9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.288 7.810 8.223 1.00 0.00 H new ATOM 1085 N THR A 74 -12.783 6.663 4.827 1.00 0.00 N ATOM 1086 CA THR A 74 -11.364 6.652 4.514 1.00 0.00 C ATOM 1087 C THR A 74 -10.997 5.382 3.745 1.00 0.00 C ATOM 1088 O THR A 74 -11.800 4.455 3.651 1.00 0.00 O ATOM 1089 CB THR A 74 -10.589 6.815 5.823 1.00 0.00 C ATOM 1090 OG1 THR A 74 -9.951 8.082 5.694 1.00 0.00 O ATOM 1091 CG2 THR A 74 -9.430 5.824 5.945 1.00 0.00 C ATOM 0 H THR A 74 -13.220 5.742 4.858 1.00 0.00 H new ATOM 0 HA THR A 74 -11.098 7.480 3.857 1.00 0.00 H new ATOM 0 HB THR A 74 -11.268 6.684 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.620 8.764 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.914 5.983 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.817 4.806 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.733 5.977 5.121 1.00 0.00 H new ATOM 1099 N ALA A 75 -9.783 5.380 3.214 1.00 0.00 N ATOM 1100 CA ALA A 75 -9.300 4.238 2.456 1.00 0.00 C ATOM 1101 C ALA A 75 -8.466 3.339 3.371 1.00 0.00 C ATOM 1102 O ALA A 75 -7.863 3.814 4.332 1.00 0.00 O ATOM 1103 CB ALA A 75 -8.507 4.729 1.242 1.00 0.00 C ATOM 0 H ALA A 75 -9.120 6.151 3.294 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.135 3.645 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.145 3.873 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.152 5.339 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.659 5.326 1.578 1.00 0.00 H new ATOM 1109 N THR A 76 -8.460 2.056 3.041 1.00 0.00 N ATOM 1110 CA THR A 76 -7.711 1.086 3.822 1.00 0.00 C ATOM 1111 C THR A 76 -6.282 0.961 3.288 1.00 0.00 C ATOM 1112 O THR A 76 -6.050 0.305 2.274 1.00 0.00 O ATOM 1113 CB THR A 76 -8.484 -0.234 3.804 1.00 0.00 C ATOM 1114 OG1 THR A 76 -9.671 0.049 4.539 1.00 0.00 O ATOM 1115 CG2 THR A 76 -7.793 -1.328 4.620 1.00 0.00 C ATOM 0 H THR A 76 -8.962 1.665 2.243 1.00 0.00 H new ATOM 0 HA THR A 76 -7.610 1.406 4.859 1.00 0.00 H new ATOM 0 HB THR A 76 -8.604 -0.570 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.232 -0.753 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.383 -2.244 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.800 -1.515 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.703 -1.006 5.657 1.00 0.00 H new ATOM 1123 N VAL A 77 -5.362 1.601 3.995 1.00 0.00 N ATOM 1124 CA VAL A 77 -3.963 1.570 3.605 1.00 0.00 C ATOM 1125 C VAL A 77 -3.303 0.320 4.192 1.00 0.00 C ATOM 1126 O VAL A 77 -3.482 0.013 5.369 1.00 0.00 O ATOM 1127 CB VAL A 77 -3.272 2.867 4.031 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -1.765 2.793 3.780 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -3.888 4.074 3.322 1.00 0.00 C ATOM 0 H VAL A 77 -5.558 2.144 4.836 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.869 1.509 2.521 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.427 2.993 5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.298 3.727 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.341 1.967 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.581 2.632 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.379 4.983 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.779 3.958 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.946 4.143 3.574 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.552 -0.367 3.343 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.864 -1.576 3.762 1.00 0.00 C ATOM 1141 C GLU A 78 -0.385 -1.506 3.376 1.00 0.00 C ATOM 1142 O GLU A 78 -0.049 -1.110 2.261 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.528 -2.819 3.167 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.635 -4.051 3.334 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.408 -5.204 3.976 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.483 -5.539 3.434 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -1.906 -5.725 4.996 1.00 0.00 O ATOM 0 H GLU A 78 -2.405 -0.109 2.367 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.933 -1.652 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.487 -2.992 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.733 -2.655 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.252 -4.362 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.772 -3.799 3.951 1.00 0.00 H new ATOM 1154 N VAL A 79 0.459 -1.896 4.319 1.00 0.00 N ATOM 1155 CA VAL A 79 1.894 -1.883 4.092 1.00 0.00 C ATOM 1156 C VAL A 79 2.355 -3.284 3.685 1.00 0.00 C ATOM 1157 O VAL A 79 2.000 -4.270 4.330 1.00 0.00 O ATOM 1158 CB VAL A 79 2.616 -1.353 5.333 1.00 0.00 C ATOM 1159 CG1 VAL A 79 3.992 -2.005 5.487 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.733 0.172 5.290 1.00 0.00 C ATOM 0 H VAL A 79 0.177 -2.223 5.243 1.00 0.00 H new ATOM 0 HA VAL A 79 2.145 -1.208 3.274 1.00 0.00 H new ATOM 0 HB VAL A 79 2.020 -1.618 6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.484 -1.611 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.874 -3.084 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.599 -1.785 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.250 0.523 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.296 0.469 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.737 0.612 5.251 1.00 0.00 H new ATOM 1170 N LEU A 80 3.138 -3.328 2.617 1.00 0.00 N ATOM 1171 CA LEU A 80 3.651 -4.592 2.117 1.00 0.00 C ATOM 1172 C LEU A 80 5.163 -4.649 2.343 1.00 0.00 C ATOM 1173 O LEU A 80 5.773 -3.659 2.745 1.00 0.00 O ATOM 1174 CB LEU A 80 3.240 -4.797 0.658 1.00 0.00 C ATOM 1175 CG LEU A 80 1.758 -5.089 0.413 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.228 -4.280 -0.772 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.516 -6.589 0.238 1.00 0.00 C ATOM 0 H LEU A 80 3.430 -2.509 2.084 1.00 0.00 H new ATOM 0 HA LEU A 80 3.214 -5.425 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.512 -3.904 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.825 -5.621 0.249 1.00 0.00 H new ATOM 0 HG LEU A 80 1.198 -4.774 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.173 -4.506 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.345 -3.216 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.788 -4.540 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.455 -6.769 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.089 -6.953 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.831 -7.116 1.139 1.00 0.00 H new ATOM 1189 N ALA A 81 5.725 -5.819 2.075 1.00 0.00 N ATOM 1190 CA ALA A 81 7.155 -6.018 2.245 1.00 0.00 C ATOM 1191 C ALA A 81 7.895 -5.405 1.054 1.00 0.00 C ATOM 1192 O ALA A 81 7.279 -5.048 0.052 1.00 0.00 O ATOM 1193 CB ALA A 81 7.446 -7.512 2.406 1.00 0.00 C ATOM 0 H ALA A 81 5.217 -6.638 1.742 1.00 0.00 H new ATOM 0 HA ALA A 81 7.509 -5.518 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.518 -7.662 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.920 -7.893 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.108 -8.046 1.518 1.00 0.00 H new ATOM 1199 N PRO A 82 9.243 -5.301 1.208 1.00 0.00 N ATOM 1200 CA PRO A 82 10.074 -4.737 0.158 1.00 0.00 C ATOM 1201 C PRO A 82 10.248 -5.728 -0.995 1.00 0.00 C ATOM 1202 O PRO A 82 10.830 -5.391 -2.025 1.00 0.00 O ATOM 1203 CB PRO A 82 11.385 -4.384 0.841 1.00 0.00 C ATOM 1204 CG PRO A 82 11.410 -5.184 2.133 1.00 0.00 C ATOM 1205 CD PRO A 82 10.007 -5.714 2.381 1.00 0.00 C ATOM 0 HA PRO A 82 9.630 -3.854 -0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.236 -4.637 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.445 -3.314 1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.121 -6.007 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.734 -4.557 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.007 -6.798 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.583 -5.300 3.296 1.00 0.00 H new ATOM 1213 N SER A 83 9.733 -6.930 -0.782 1.00 0.00 N ATOM 1214 CA SER A 83 9.824 -7.972 -1.791 1.00 0.00 C ATOM 1215 C SER A 83 8.425 -8.349 -2.282 1.00 0.00 C ATOM 1216 O SER A 83 8.175 -9.502 -2.630 1.00 0.00 O ATOM 1217 CB SER A 83 10.545 -9.206 -1.244 1.00 0.00 C ATOM 1218 OG SER A 83 11.543 -9.683 -2.142 1.00 0.00 O ATOM 0 H SER A 83 9.252 -7.206 0.074 1.00 0.00 H new ATOM 0 HA SER A 83 10.404 -7.587 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.006 -8.962 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.819 -9.997 -1.056 1.00 0.00 H new ATOM 0 HG SER A 83 11.981 -10.470 -1.756 1.00 0.00 H new ATOM 1224 N ALA A 84 7.549 -7.355 -2.294 1.00 0.00 N ATOM 1225 CA ALA A 84 6.182 -7.567 -2.737 1.00 0.00 C ATOM 1226 C ALA A 84 6.022 -7.030 -4.161 1.00 0.00 C ATOM 1227 O ALA A 84 6.176 -5.833 -4.397 1.00 0.00 O ATOM 1228 CB ALA A 84 5.217 -6.904 -1.752 1.00 0.00 C ATOM 0 H ALA A 84 7.760 -6.400 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 84 5.947 -8.631 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.191 -7.063 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.350 -7.341 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.422 -5.834 -1.706 1.00 0.00 H new ATOM 1234 N ARG A 85 5.715 -7.942 -5.072 1.00 0.00 N ATOM 1235 CA ARG A 85 5.533 -7.576 -6.466 1.00 0.00 C ATOM 1236 C ARG A 85 4.043 -7.464 -6.795 1.00 0.00 C ATOM 1237 O ARG A 85 3.663 -6.790 -7.751 1.00 0.00 O ATOM 1238 CB ARG A 85 6.177 -8.606 -7.395 1.00 0.00 C ATOM 1239 CG ARG A 85 7.146 -7.934 -8.370 1.00 0.00 C ATOM 1240 CD ARG A 85 8.552 -7.844 -7.772 1.00 0.00 C ATOM 1241 NE ARG A 85 9.347 -9.028 -8.168 1.00 0.00 N ATOM 1242 CZ ARG A 85 10.606 -9.254 -7.770 1.00 0.00 C ATOM 1243 NH1 ARG A 85 11.221 -8.380 -6.963 1.00 0.00 N ATOM 1244 NH2 ARG A 85 11.251 -10.356 -8.180 1.00 0.00 N ATOM 0 H ARG A 85 5.588 -8.934 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 85 6.017 -6.612 -6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.709 -9.352 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.402 -9.133 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.179 -8.498 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.786 -6.935 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.044 -6.934 -8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.491 -7.784 -6.685 1.00 0.00 H new ATOM 0 HE ARG A 85 8.909 -9.715 -8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.731 -7.542 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.180 -8.553 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.783 -11.022 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.210 -10.528 -7.877 1.00 0.00 H new ATOM 1258 N GLN A 86 3.238 -8.135 -5.983 1.00 0.00 N ATOM 1259 CA GLN A 86 1.798 -8.120 -6.176 1.00 0.00 C ATOM 1260 C GLN A 86 1.082 -8.104 -4.824 1.00 0.00 C ATOM 1261 O GLN A 86 1.701 -8.337 -3.787 1.00 0.00 O ATOM 1262 CB GLN A 86 1.346 -9.311 -7.023 1.00 0.00 C ATOM 1263 CG GLN A 86 1.447 -10.616 -6.230 1.00 0.00 C ATOM 1264 CD GLN A 86 2.157 -11.699 -7.045 1.00 0.00 C ATOM 1265 OE1 GLN A 86 2.154 -11.696 -8.265 1.00 0.00 O ATOM 1266 NE2 GLN A 86 2.763 -12.623 -6.305 1.00 0.00 N ATOM 0 H GLN A 86 3.556 -8.692 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 86 1.532 -7.211 -6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.318 -9.159 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.961 -9.378 -7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.990 -10.440 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.449 -10.958 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.726 -12.566 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.264 -13.389 -6.755 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.212 -7.826 -4.880 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.020 -7.777 -3.673 1.00 0.00 C ATOM 1277 C TYR A 87 -2.461 -8.202 -3.959 1.00 0.00 C ATOM 1278 O TYR A 87 -2.963 -8.003 -5.064 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.012 -6.315 -3.221 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.122 -5.966 -2.227 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -1.945 -6.210 -0.881 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.301 -5.407 -2.678 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -2.990 -5.881 0.054 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.346 -5.078 -1.743 1.00 0.00 C ATOM 1285 CZ TYR A 87 -4.138 -5.331 -0.423 1.00 0.00 C ATOM 1286 OH TYR A 87 -5.125 -5.021 0.460 1.00 0.00 O ATOM 0 H TYR A 87 -0.721 -7.632 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.621 -8.452 -2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.047 -6.091 -2.766 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.108 -5.674 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.023 -6.648 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.440 -5.216 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.864 -6.067 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.273 -4.641 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.622 -4.241 0.135 1.00 0.00 H new ATOM 1296 N THR A 88 -3.086 -8.782 -2.945 1.00 0.00 N ATOM 1297 CA THR A 88 -4.460 -9.237 -3.073 1.00 0.00 C ATOM 1298 C THR A 88 -5.402 -8.318 -2.294 1.00 0.00 C ATOM 1299 O THR A 88 -5.236 -8.131 -1.089 1.00 0.00 O ATOM 1300 CB THR A 88 -4.518 -10.696 -2.617 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.444 -11.322 -3.313 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.766 -11.420 -3.128 1.00 0.00 C ATOM 0 H THR A 88 -2.666 -8.947 -2.030 1.00 0.00 H new ATOM 0 HA THR A 88 -4.797 -9.191 -4.108 1.00 0.00 H new ATOM 0 HB THR A 88 -4.495 -10.736 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.408 -12.272 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.758 -12.452 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.657 -10.916 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.773 -11.409 -4.218 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.370 -7.769 -3.012 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.339 -6.874 -2.403 1.00 0.00 C ATOM 1312 C ALA A 89 -8.679 -7.598 -2.263 1.00 0.00 C ATOM 1313 O ALA A 89 -9.308 -7.944 -3.262 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.450 -5.597 -3.238 1.00 0.00 C ATOM 0 H ALA A 89 -6.504 -7.927 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.017 -6.583 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.177 -4.926 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.478 -5.105 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.774 -5.849 -4.248 1.00 0.00 H new ATOM 1320 N THR A 90 -9.076 -7.806 -1.017 1.00 0.00 N ATOM 1321 CA THR A 90 -10.330 -8.483 -0.734 1.00 0.00 C ATOM 1322 C THR A 90 -11.295 -7.540 -0.013 1.00 0.00 C ATOM 1323 O THR A 90 -10.872 -6.554 0.589 1.00 0.00 O ATOM 1324 CB THR A 90 -10.014 -9.752 0.061 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.260 -9.283 1.177 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.048 -10.680 -0.677 1.00 0.00 C ATOM 0 H THR A 90 -8.551 -7.518 -0.191 1.00 0.00 H new ATOM 0 HA THR A 90 -10.837 -8.776 -1.654 1.00 0.00 H new ATOM 0 HB THR A 90 -10.940 -10.287 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.014 -10.041 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.857 -11.565 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.488 -10.981 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.110 -10.157 -0.860 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.574 -7.874 -0.099 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.603 -7.069 0.537 1.00 0.00 C ATOM 1336 C GLY A 91 -13.779 -5.733 -0.187 1.00 0.00 C ATOM 1337 O GLY A 91 -13.530 -4.674 0.387 1.00 0.00 O ATOM 0 H GLY A 91 -12.921 -8.692 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.547 -7.614 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.338 -6.890 1.579 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.208 -5.826 -1.438 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.420 -4.638 -2.246 1.00 0.00 C ATOM 1343 C LEU A 92 -15.853 -4.641 -2.783 1.00 0.00 C ATOM 1344 O LEU A 92 -16.508 -5.682 -2.807 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.354 -4.536 -3.339 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.940 -4.962 -2.939 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.180 -5.533 -4.137 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.185 -3.806 -2.279 1.00 0.00 C ATOM 0 H LEU A 92 -14.414 -6.706 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.308 -3.740 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.670 -5.146 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.316 -3.504 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.020 -5.758 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.178 -5.828 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.711 -6.403 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.109 -4.775 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.183 -4.136 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.114 -2.972 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.719 -3.486 -1.385 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.297 -3.465 -3.201 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.640 -3.319 -3.735 1.00 0.00 C ATOM 1362 C LYS A 93 -17.610 -3.549 -5.248 1.00 0.00 C ATOM 1363 O LYS A 93 -16.843 -2.905 -5.962 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.234 -1.968 -3.331 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.554 -1.709 -4.060 1.00 0.00 C ATOM 1366 CD LYS A 93 -19.620 -0.272 -4.581 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.594 0.732 -3.426 1.00 0.00 C ATOM 1368 NZ LYS A 93 -19.683 2.116 -3.941 1.00 0.00 N ATOM 0 H LYS A 93 -15.750 -2.604 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.303 -4.073 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.399 -1.947 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.526 -1.172 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.657 -2.406 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.389 -1.893 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -18.780 -0.085 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.529 -0.135 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -20.424 0.536 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -18.676 0.610 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.180 2.759 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.250 2.164 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -20.682 2.399 -4.004 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.476 -4.494 -5.703 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.555 -4.817 -7.117 1.00 0.00 C ATOM 1384 C PRO A 94 -19.292 -3.721 -7.889 1.00 0.00 C ATOM 1385 O PRO A 94 -19.976 -2.890 -7.294 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.262 -6.162 -7.174 1.00 0.00 C ATOM 1387 CG PRO A 94 -19.963 -6.321 -5.834 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.398 -5.277 -4.886 1.00 0.00 C ATOM 0 HA PRO A 94 -17.575 -4.877 -7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.978 -6.193 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.550 -6.971 -7.341 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.039 -6.190 -5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.804 -7.323 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.188 -4.651 -4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.884 -5.743 -4.045 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.127 -3.755 -9.203 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.768 -2.775 -10.063 1.00 0.00 C ATOM 1398 C GLU A 95 -19.311 -1.363 -9.692 1.00 0.00 C ATOM 1399 O GLU A 95 -20.127 -0.448 -9.593 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.292 -2.894 -9.991 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.802 -3.978 -10.942 1.00 0.00 C ATOM 1402 CD GLU A 95 -23.007 -4.709 -10.345 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -24.104 -4.110 -10.371 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -22.803 -5.850 -9.876 1.00 0.00 O ATOM 0 H GLU A 95 -18.559 -4.446 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.469 -2.974 -11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.594 -3.129 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.748 -1.937 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -22.080 -3.529 -11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.004 -4.692 -11.147 1.00 0.00 H new ATOM 1411 N SER A 96 -18.007 -1.230 -9.496 1.00 0.00 N ATOM 1412 CA SER A 96 -17.431 0.055 -9.137 1.00 0.00 C ATOM 1413 C SER A 96 -15.991 0.144 -9.647 1.00 0.00 C ATOM 1414 O SER A 96 -15.505 -0.773 -10.306 1.00 0.00 O ATOM 1415 CB SER A 96 -17.473 0.274 -7.624 1.00 0.00 C ATOM 1416 OG SER A 96 -18.515 1.168 -7.242 1.00 0.00 O ATOM 0 H SER A 96 -17.333 -1.991 -9.579 1.00 0.00 H new ATOM 0 HA SER A 96 -18.025 0.839 -9.607 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.615 -0.684 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.515 0.670 -7.288 1.00 0.00 H new ATOM 0 HG SER A 96 -19.369 0.687 -7.224 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.350 1.257 -9.322 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.976 1.477 -9.738 1.00 0.00 C ATOM 1424 C VAL A 97 -13.107 1.726 -8.504 1.00 0.00 C ATOM 1425 O VAL A 97 -13.424 2.583 -7.680 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.913 2.620 -10.753 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.507 2.757 -11.339 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -14.952 2.427 -11.860 1.00 0.00 C ATOM 0 H VAL A 97 -15.757 2.016 -8.775 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.583 0.592 -10.239 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.149 3.546 -10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.490 3.577 -12.057 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.797 2.962 -10.538 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.230 1.830 -11.840 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.887 3.253 -12.568 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.761 1.488 -12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.950 2.403 -11.422 1.00 0.00 H new ATOM 1438 N TYR A 98 -12.028 0.962 -8.415 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.111 1.089 -7.295 1.00 0.00 C ATOM 1440 C TYR A 98 -9.731 1.551 -7.766 1.00 0.00 C ATOM 1441 O TYR A 98 -9.175 0.994 -8.711 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.988 -0.310 -6.689 1.00 0.00 C ATOM 1443 CG TYR A 98 -12.042 -0.622 -5.624 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.375 -0.696 -5.974 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.659 -0.830 -4.315 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.367 -0.990 -4.972 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.651 -1.124 -3.313 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.956 -1.189 -3.691 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.892 -1.467 -2.744 1.00 0.00 O ATOM 0 H TYR A 98 -11.768 0.253 -9.100 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.480 1.823 -6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.063 -1.048 -7.487 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.997 -0.418 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.674 -0.533 -6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.616 -0.772 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.413 -1.051 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.365 -1.289 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.453 -1.586 -1.876 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.217 2.565 -7.084 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.912 3.108 -7.421 1.00 0.00 C ATOM 1461 C LEU A 99 -6.854 2.484 -6.509 1.00 0.00 C ATOM 1462 O LEU A 99 -6.944 2.586 -5.287 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.939 4.637 -7.375 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.577 5.333 -7.383 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.908 5.245 -6.009 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.683 4.775 -8.492 1.00 0.00 C ATOM 0 H LEU A 99 -9.681 3.024 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.644 2.848 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.513 4.996 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.476 4.944 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.735 6.390 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.941 5.748 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.542 5.726 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.764 4.198 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.721 5.287 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.529 3.708 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.161 4.932 -9.459 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.874 1.851 -7.138 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.800 1.211 -6.399 1.00 0.00 C ATOM 1480 C PHE A 100 -3.530 2.064 -6.427 1.00 0.00 C ATOM 1481 O PHE A 100 -2.919 2.239 -7.480 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.518 -0.126 -7.088 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.360 -1.289 -6.559 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.659 -1.415 -6.940 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -4.809 -2.195 -5.708 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.441 -2.495 -6.449 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.591 -3.275 -5.217 1.00 0.00 C ATOM 1488 CZ PHE A 100 -6.890 -3.401 -5.598 1.00 0.00 C ATOM 0 H PHE A 100 -5.802 1.768 -8.152 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.093 1.078 -5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.699 -0.017 -8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.463 -0.370 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.096 -0.695 -7.615 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.777 -2.094 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.473 -2.596 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.154 -3.995 -4.542 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.485 -4.221 -5.224 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.171 2.573 -5.258 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.985 3.403 -5.135 1.00 0.00 C ATOM 1500 C ARG A 101 -0.827 2.592 -4.552 1.00 0.00 C ATOM 1501 O ARG A 101 -0.838 2.246 -3.372 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.252 4.615 -4.240 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.468 5.837 -4.724 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.330 7.099 -4.664 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.841 7.300 -3.290 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.607 8.334 -2.916 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -3.956 9.267 -3.812 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -4.025 8.434 -1.647 1.00 0.00 N ATOM 0 H ARG A 101 -3.681 2.427 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.721 3.753 -6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.318 4.841 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.972 4.382 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.578 5.970 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.127 5.673 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.744 7.964 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.163 7.013 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.595 6.608 -2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.639 9.190 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.539 10.054 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.760 7.723 -0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.608 9.221 -1.363 1.00 0.00 H new ATOM 1522 N ILE A 102 0.146 2.311 -5.407 1.00 0.00 N ATOM 1523 CA ILE A 102 1.310 1.547 -4.991 1.00 0.00 C ATOM 1524 C ILE A 102 2.451 2.508 -4.651 1.00 0.00 C ATOM 1525 O ILE A 102 2.686 3.477 -5.370 1.00 0.00 O ATOM 1526 CB ILE A 102 1.676 0.508 -6.053 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.586 -0.558 -6.177 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.049 -0.106 -5.769 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.544 -1.137 -7.593 1.00 0.00 C ATOM 0 H ILE A 102 0.152 2.599 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 102 1.090 0.980 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 102 1.742 1.014 -7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.770 -1.357 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.382 -0.124 -5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.285 -0.841 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.806 0.678 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.035 -0.593 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.239 -1.892 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.335 -0.339 -8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.506 -1.592 -7.829 1.00 0.00 H new ATOM 1541 N THR A 103 3.129 2.205 -3.554 1.00 0.00 N ATOM 1542 CA THR A 103 4.240 3.030 -3.109 1.00 0.00 C ATOM 1543 C THR A 103 5.290 2.173 -2.400 1.00 0.00 C ATOM 1544 O THR A 103 4.976 1.103 -1.881 1.00 0.00 O ATOM 1545 CB THR A 103 3.676 4.149 -2.232 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.534 4.610 -2.948 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.598 5.369 -2.175 1.00 0.00 C ATOM 0 H THR A 103 2.931 1.400 -2.960 1.00 0.00 H new ATOM 0 HA THR A 103 4.756 3.488 -3.953 1.00 0.00 H new ATOM 0 HB THR A 103 3.511 3.771 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.106 5.337 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.151 6.134 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.564 5.076 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.736 5.768 -3.180 1.00 0.00 H new ATOM 1555 N ALA A 104 6.516 2.675 -2.401 1.00 0.00 N ATOM 1556 CA ALA A 104 7.615 1.969 -1.765 1.00 0.00 C ATOM 1557 C ALA A 104 8.084 2.760 -0.542 1.00 0.00 C ATOM 1558 O ALA A 104 7.874 3.970 -0.463 1.00 0.00 O ATOM 1559 CB ALA A 104 8.737 1.747 -2.781 1.00 0.00 C ATOM 0 H ALA A 104 6.773 3.563 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 104 7.291 0.988 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.561 1.217 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.361 1.155 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.090 2.710 -3.150 1.00 0.00 H new ATOM 1565 N GLN A 105 8.711 2.046 0.381 1.00 0.00 N ATOM 1566 CA GLN A 105 9.212 2.666 1.595 1.00 0.00 C ATOM 1567 C GLN A 105 10.735 2.543 1.665 1.00 0.00 C ATOM 1568 O GLN A 105 11.278 1.444 1.562 1.00 0.00 O ATOM 1569 CB GLN A 105 8.555 2.055 2.835 1.00 0.00 C ATOM 1570 CG GLN A 105 9.197 2.590 4.116 1.00 0.00 C ATOM 1571 CD GLN A 105 8.131 2.969 5.147 1.00 0.00 C ATOM 1572 OE1 GLN A 105 7.926 4.127 5.469 1.00 0.00 O ATOM 1573 NE2 GLN A 105 7.466 1.929 5.644 1.00 0.00 N ATOM 0 H GLN A 105 8.883 1.043 0.312 1.00 0.00 H new ATOM 0 HA GLN A 105 8.953 3.725 1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.489 2.283 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.649 0.970 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.862 1.836 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 105 9.809 3.461 3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.688 0.984 5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.734 2.077 6.339 1.00 0.00 H new ATOM 1582 N THR A 106 11.382 3.685 1.841 1.00 0.00 N ATOM 1583 CA THR A 106 12.832 3.719 1.926 1.00 0.00 C ATOM 1584 C THR A 106 13.275 4.382 3.232 1.00 0.00 C ATOM 1585 O THR A 106 12.461 4.602 4.127 1.00 0.00 O ATOM 1586 CB THR A 106 13.363 4.424 0.676 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.451 5.498 0.470 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.222 3.567 -0.584 1.00 0.00 C ATOM 0 H THR A 106 10.929 4.595 1.927 1.00 0.00 H new ATOM 0 HA THR A 106 13.250 2.713 1.951 1.00 0.00 H new ATOM 0 HB THR A 106 14.412 4.683 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 106 12.897 6.348 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.614 4.114 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.782 2.640 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.170 3.336 -0.751 1.00 0.00 H new ATOM 1596 N ARG A 107 14.564 4.682 3.299 1.00 0.00 N ATOM 1597 CA ARG A 107 15.124 5.316 4.480 1.00 0.00 C ATOM 1598 C ARG A 107 14.742 6.797 4.520 1.00 0.00 C ATOM 1599 O ARG A 107 14.892 7.453 5.549 1.00 0.00 O ATOM 1600 CB ARG A 107 16.649 5.189 4.503 1.00 0.00 C ATOM 1601 CG ARG A 107 17.284 6.005 3.375 1.00 0.00 C ATOM 1602 CD ARG A 107 18.806 5.853 3.379 1.00 0.00 C ATOM 1603 NE ARG A 107 19.443 7.143 3.723 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.746 7.406 3.556 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.559 6.469 3.049 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.237 8.606 3.897 1.00 0.00 N ATOM 0 H ARG A 107 15.236 4.498 2.554 1.00 0.00 H new ATOM 0 HA ARG A 107 14.715 4.808 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.032 5.532 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.932 4.141 4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.885 5.678 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.020 7.056 3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.101 5.089 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 107 19.149 5.519 2.400 1.00 0.00 H new ATOM 0 HE ARG A 107 18.853 7.879 4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.186 5.556 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.551 6.669 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.618 9.319 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.229 8.806 3.770 1.00 0.00 H new ATOM 1620 N LYS A 108 14.257 7.281 3.385 1.00 0.00 N ATOM 1621 CA LYS A 108 13.852 8.672 3.277 1.00 0.00 C ATOM 1622 C LYS A 108 12.359 8.790 3.587 1.00 0.00 C ATOM 1623 O LYS A 108 11.923 9.762 4.203 1.00 0.00 O ATOM 1624 CB LYS A 108 14.244 9.239 1.912 1.00 0.00 C ATOM 1625 CG LYS A 108 15.699 8.903 1.575 1.00 0.00 C ATOM 1626 CD LYS A 108 16.651 9.477 2.626 1.00 0.00 C ATOM 1627 CE LYS A 108 16.661 11.007 2.581 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.333 11.484 1.352 1.00 0.00 N ATOM 0 H LYS A 108 14.136 6.734 2.533 1.00 0.00 H new ATOM 0 HA LYS A 108 14.379 9.280 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.586 8.833 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.107 10.320 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.823 7.822 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.951 9.304 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.349 9.141 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.659 9.098 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.639 11.385 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 108 17.174 11.399 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.880 12.342 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.973 10.745 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.619 11.701 0.628 1.00 0.00 H new ATOM 1642 N GLY A 109 11.614 7.787 3.144 1.00 0.00 N ATOM 1643 CA GLY A 109 10.179 7.766 3.366 1.00 0.00 C ATOM 1644 C GLY A 109 9.455 7.077 2.208 1.00 0.00 C ATOM 1645 O GLY A 109 9.904 6.041 1.719 1.00 0.00 O ATOM 0 H GLY A 109 11.978 6.983 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.959 7.245 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.809 8.786 3.475 1.00 0.00 H new ATOM 1649 N TRP A 110 8.346 7.679 1.802 1.00 0.00 N ATOM 1650 CA TRP A 110 7.556 7.136 0.711 1.00 0.00 C ATOM 1651 C TRP A 110 7.690 8.081 -0.485 1.00 0.00 C ATOM 1652 O TRP A 110 7.263 9.232 -0.422 1.00 0.00 O ATOM 1653 CB TRP A 110 6.104 6.918 1.141 1.00 0.00 C ATOM 1654 CG TRP A 110 5.935 5.891 2.263 1.00 0.00 C ATOM 1655 CD1 TRP A 110 6.038 6.089 3.584 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.626 4.490 2.107 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.819 4.923 4.288 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.561 3.920 3.362 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.410 3.730 0.944 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.279 2.565 3.574 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.129 2.378 1.173 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.060 1.788 2.430 1.00 0.00 C ATOM 0 H TRP A 110 7.976 8.538 2.210 1.00 0.00 H new ATOM 0 HA TRP A 110 7.924 6.152 0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.686 7.870 1.468 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.524 6.595 0.276 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.264 7.041 4.040 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.842 4.817 5.302 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.457 4.156 -0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.233 2.142 4.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.953 1.749 0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.838 0.735 2.524 1.00 0.00 H new ATOM 1673 N GLY A 111 8.285 7.558 -1.548 1.00 0.00 N ATOM 1674 CA GLY A 111 8.481 8.340 -2.756 1.00 0.00 C ATOM 1675 C GLY A 111 7.180 8.451 -3.554 1.00 0.00 C ATOM 1676 O GLY A 111 6.098 8.538 -2.976 1.00 0.00 O ATOM 0 H GLY A 111 8.637 6.602 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.838 9.336 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.252 7.877 -3.372 1.00 0.00 H new ATOM 1680 N GLU A 112 7.328 8.444 -4.871 1.00 0.00 N ATOM 1681 CA GLU A 112 6.179 8.543 -5.754 1.00 0.00 C ATOM 1682 C GLU A 112 5.236 7.358 -5.533 1.00 0.00 C ATOM 1683 O GLU A 112 5.591 6.397 -4.851 1.00 0.00 O ATOM 1684 CB GLU A 112 6.617 8.629 -7.217 1.00 0.00 C ATOM 1685 CG GLU A 112 6.395 10.037 -7.774 1.00 0.00 C ATOM 1686 CD GLU A 112 7.715 10.805 -7.868 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.229 11.182 -6.793 1.00 0.00 O ATOM 1688 OE2 GLU A 112 8.179 10.997 -9.012 1.00 0.00 O ATOM 0 H GLU A 112 8.227 8.371 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 112 5.641 9.460 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.671 8.363 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.057 7.907 -7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.936 9.973 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.699 10.580 -7.134 1.00 0.00 H new ATOM 1695 N ALA A 113 4.055 7.465 -6.123 1.00 0.00 N ATOM 1696 CA ALA A 113 3.059 6.414 -5.999 1.00 0.00 C ATOM 1697 C ALA A 113 2.359 6.219 -7.345 1.00 0.00 C ATOM 1698 O ALA A 113 1.952 7.189 -7.983 1.00 0.00 O ATOM 1699 CB ALA A 113 2.079 6.768 -4.878 1.00 0.00 C ATOM 0 H ALA A 113 3.765 8.263 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 113 3.531 5.468 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.332 5.980 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.622 6.866 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.584 7.711 -5.111 1.00 0.00 H new ATOM 1705 N ALA A 114 2.239 4.959 -7.737 1.00 0.00 N ATOM 1706 CA ALA A 114 1.595 4.625 -8.996 1.00 0.00 C ATOM 1707 C ALA A 114 0.119 4.315 -8.742 1.00 0.00 C ATOM 1708 O ALA A 114 -0.206 3.416 -7.968 1.00 0.00 O ATOM 1709 CB ALA A 114 2.332 3.456 -9.652 1.00 0.00 C ATOM 0 H ALA A 114 2.577 4.157 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 114 1.641 5.467 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.849 3.205 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.368 3.738 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.304 2.591 -8.990 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.736 5.077 -9.409 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.170 4.895 -9.265 1.00 0.00 C ATOM 1717 C GLU A 115 -2.714 4.037 -10.409 1.00 0.00 C ATOM 1718 O GLU A 115 -2.477 4.334 -11.579 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.891 6.243 -9.201 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.901 6.792 -7.773 1.00 0.00 C ATOM 1721 CD GLU A 115 -3.599 8.152 -7.713 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -3.513 8.879 -8.726 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.203 8.434 -6.656 1.00 0.00 O ATOM 0 H GLU A 115 -0.463 5.822 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.357 4.375 -8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.399 6.954 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.915 6.129 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.409 6.089 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.878 6.888 -7.409 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.432 2.990 -10.031 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.011 2.086 -11.011 1.00 0.00 C ATOM 1732 C ALA A 116 -5.470 1.809 -10.643 1.00 0.00 C ATOM 1733 O ALA A 116 -5.755 1.293 -9.564 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.175 0.807 -11.083 1.00 0.00 C ATOM 0 H ALA A 116 -3.626 2.747 -9.060 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.001 2.538 -12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.609 0.129 -11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.155 1.055 -11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.164 0.324 -10.106 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.357 2.164 -11.562 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.779 1.960 -11.348 1.00 0.00 C ATOM 1742 C LEU A 117 -8.170 0.566 -11.843 1.00 0.00 C ATOM 1743 O LEU A 117 -7.661 0.099 -12.861 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.585 3.090 -11.992 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.540 4.440 -11.273 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.288 5.579 -12.263 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.810 4.666 -10.450 1.00 0.00 C ATOM 0 H LEU A 117 -6.117 2.592 -12.456 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.014 1.998 -10.284 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.225 3.231 -13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.625 2.773 -12.063 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.703 4.428 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.261 6.528 -11.727 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.335 5.419 -12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.089 5.603 -13.002 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.752 5.633 -9.949 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.678 4.650 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.906 3.877 -9.705 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.071 -0.060 -11.100 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.537 -1.391 -11.451 1.00 0.00 C ATOM 1761 C VAL A 118 -11.006 -1.535 -11.050 1.00 0.00 C ATOM 1762 O VAL A 118 -11.365 -1.301 -9.897 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.635 -2.446 -10.808 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.580 -2.268 -9.289 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.094 -3.858 -11.177 1.00 0.00 C ATOM 0 H VAL A 118 -9.491 0.330 -10.256 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.479 -1.545 -12.528 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.627 -2.308 -11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.932 -3.031 -8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.185 -1.280 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.583 -2.367 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.436 -4.589 -10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.115 -4.012 -10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.058 -3.981 -12.259 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.817 -1.919 -12.025 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.240 -2.097 -11.789 1.00 0.00 C ATOM 1777 C VAL A 119 -13.488 -3.501 -11.234 1.00 0.00 C ATOM 1778 O VAL A 119 -12.797 -4.449 -11.601 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.023 -1.814 -13.072 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.380 -2.521 -13.053 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.192 -0.309 -13.291 1.00 0.00 C ATOM 0 H VAL A 119 -11.516 -2.112 -12.980 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.596 -1.385 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.449 -2.212 -13.909 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.917 -2.303 -13.976 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.229 -3.597 -12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.963 -2.167 -12.203 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.752 -0.136 -14.210 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.733 0.123 -12.449 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.211 0.160 -13.370 1.00 0.00 H new ATOM 1791 N THR A 120 -14.478 -3.589 -10.357 1.00 0.00 N ATOM 1792 CA THR A 120 -14.827 -4.861 -9.748 1.00 0.00 C ATOM 1793 C THR A 120 -16.017 -5.492 -10.473 1.00 0.00 C ATOM 1794 O THR A 120 -17.118 -4.945 -10.459 1.00 0.00 O ATOM 1795 CB THR A 120 -15.082 -4.618 -8.259 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.830 -3.406 -8.228 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.801 -4.285 -7.492 1.00 0.00 C ATOM 0 H THR A 120 -15.049 -2.800 -10.054 1.00 0.00 H new ATOM 0 HA THR A 120 -14.013 -5.580 -9.840 1.00 0.00 H new ATOM 0 HB THR A 120 -15.547 -5.502 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.169 -3.254 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.038 -4.122 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.098 -5.113 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.353 -3.382 -7.907 1.00 0.00 H new ATOM 1805 N THR A 121 -15.754 -6.634 -11.091 1.00 0.00 N ATOM 1806 CA THR A 121 -16.790 -7.345 -11.821 1.00 0.00 C ATOM 1807 C THR A 121 -16.244 -8.663 -12.374 1.00 0.00 C ATOM 1808 O THR A 121 -15.040 -8.911 -12.322 1.00 0.00 O ATOM 1809 CB THR A 121 -17.333 -6.410 -12.903 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.227 -7.228 -13.653 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.261 -6.004 -13.917 1.00 0.00 C ATOM 0 H THR A 121 -14.839 -7.084 -11.101 1.00 0.00 H new ATOM 0 HA THR A 121 -17.616 -7.621 -11.166 1.00 0.00 H new ATOM 0 HB THR A 121 -17.748 -5.517 -12.436 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.626 -6.700 -14.376 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.698 -5.341 -14.663 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.451 -5.487 -13.403 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.869 -6.895 -14.409 1.00 0.00 H new ATOM 1819 N GLU A 122 -17.155 -9.473 -12.893 1.00 0.00 N ATOM 1820 CA GLU A 122 -16.779 -10.759 -13.456 1.00 0.00 C ATOM 1821 C GLU A 122 -16.477 -10.617 -14.949 1.00 0.00 C ATOM 1822 O GLU A 122 -15.658 -11.355 -15.493 1.00 0.00 O ATOM 1823 CB GLU A 122 -17.871 -11.803 -13.214 1.00 0.00 C ATOM 1824 CG GLU A 122 -18.163 -11.955 -11.720 1.00 0.00 C ATOM 1825 CD GLU A 122 -19.571 -12.510 -11.490 1.00 0.00 C ATOM 1826 OE1 GLU A 122 -19.702 -13.753 -11.515 1.00 0.00 O ATOM 1827 OE2 GLU A 122 -20.483 -11.679 -11.295 1.00 0.00 O ATOM 0 H GLU A 122 -18.152 -9.264 -12.936 1.00 0.00 H new ATOM 0 HA GLU A 122 -15.875 -11.104 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -18.781 -11.511 -13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -17.560 -12.763 -13.627 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -17.428 -12.621 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -18.064 -10.988 -11.226 1.00 0.00 H new ATOM 1834 N LYS A 123 -17.156 -9.663 -15.569 1.00 0.00 N ATOM 1835 CA LYS A 123 -16.971 -9.415 -16.989 1.00 0.00 C ATOM 1836 C LYS A 123 -15.559 -8.875 -17.228 1.00 0.00 C ATOM 1837 O LYS A 123 -14.884 -8.456 -16.289 1.00 0.00 O ATOM 1838 CB LYS A 123 -18.077 -8.501 -17.522 1.00 0.00 C ATOM 1839 CG LYS A 123 -18.588 -8.993 -18.878 1.00 0.00 C ATOM 1840 CD LYS A 123 -18.377 -7.933 -19.960 1.00 0.00 C ATOM 1841 CE LYS A 123 -19.660 -7.707 -20.763 1.00 0.00 C ATOM 1842 NZ LYS A 123 -19.530 -6.507 -21.619 1.00 0.00 N ATOM 0 H LYS A 123 -17.835 -9.053 -15.114 1.00 0.00 H new ATOM 0 HA LYS A 123 -17.058 -10.344 -17.552 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -18.901 -8.467 -16.809 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -17.698 -7.484 -17.619 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.068 -9.910 -19.156 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -19.648 -9.237 -18.805 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -18.062 -6.996 -19.500 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.575 -8.245 -20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -19.868 -8.581 -21.380 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -20.505 -7.587 -20.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -20.409 -6.368 -22.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -19.353 -5.673 -21.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.737 -6.636 -22.279 1.00 0.00 H new ATOM 1856 N ARG A 124 -15.155 -8.902 -18.489 1.00 0.00 N ATOM 1857 CA ARG A 124 -13.836 -8.421 -18.864 1.00 0.00 C ATOM 1858 C ARG A 124 -12.756 -9.177 -18.088 1.00 0.00 C ATOM 1859 O ARG A 124 -12.591 -8.973 -16.887 1.00 0.00 O ATOM 1860 CB ARG A 124 -13.698 -6.922 -18.587 1.00 0.00 C ATOM 1861 CG ARG A 124 -14.392 -6.098 -19.674 1.00 0.00 C ATOM 1862 CD ARG A 124 -13.658 -4.778 -19.913 1.00 0.00 C ATOM 1863 NE ARG A 124 -14.635 -3.683 -20.106 1.00 0.00 N ATOM 1864 CZ ARG A 124 -14.302 -2.429 -20.441 1.00 0.00 C ATOM 1865 NH1 ARG A 124 -13.015 -2.104 -20.623 1.00 0.00 N ATOM 1866 NH2 ARG A 124 -15.256 -1.500 -20.594 1.00 0.00 N ATOM 0 H ARG A 124 -15.718 -9.250 -19.265 1.00 0.00 H new ATOM 0 HA ARG A 124 -13.710 -8.595 -19.933 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -14.131 -6.687 -17.615 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -12.643 -6.653 -18.539 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -14.430 -6.670 -20.601 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -15.423 -5.897 -19.381 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -13.011 -4.554 -19.065 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -13.016 -4.863 -20.790 1.00 0.00 H new ATOM 0 HE ARG A 124 -15.624 -3.896 -19.976 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.289 -2.811 -20.507 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.761 -1.150 -20.878 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -16.236 -1.747 -20.455 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -15.002 -0.546 -20.849 1.00 0.00 H new ATOM 1880 N SER A 125 -12.047 -10.035 -18.808 1.00 0.00 N ATOM 1881 CA SER A 125 -10.987 -10.823 -18.202 1.00 0.00 C ATOM 1882 C SER A 125 -9.975 -11.245 -19.269 1.00 0.00 C ATOM 1883 O SER A 125 -10.301 -12.019 -20.168 1.00 0.00 O ATOM 1884 CB SER A 125 -11.553 -12.054 -17.491 1.00 0.00 C ATOM 1885 OG SER A 125 -12.025 -13.033 -18.412 1.00 0.00 O ATOM 0 H SER A 125 -12.186 -10.201 -19.805 1.00 0.00 H new ATOM 0 HA SER A 125 -10.485 -10.206 -17.457 1.00 0.00 H new ATOM 0 HB2 SER A 125 -10.782 -12.494 -16.858 1.00 0.00 H new ATOM 0 HB3 SER A 125 -12.369 -11.750 -16.835 1.00 0.00 H new ATOM 0 HG SER A 125 -11.507 -12.978 -19.242 1.00 0.00 H new ATOM 1891 N GLY A 126 -8.767 -10.719 -19.134 1.00 0.00 N ATOM 1892 CA GLY A 126 -7.705 -11.032 -20.075 1.00 0.00 C ATOM 1893 C GLY A 126 -7.206 -9.768 -20.779 1.00 0.00 C ATOM 1894 O GLY A 126 -7.864 -8.730 -20.739 1.00 0.00 O ATOM 0 H GLY A 126 -8.500 -10.078 -18.387 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -6.878 -11.511 -19.550 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -8.068 -11.745 -20.815 1.00 0.00 H new ATOM 1898 N PRO A 127 -6.017 -9.901 -21.426 1.00 0.00 N ATOM 1899 CA PRO A 127 -5.423 -8.783 -22.138 1.00 0.00 C ATOM 1900 C PRO A 127 -6.151 -8.525 -23.458 1.00 0.00 C ATOM 1901 O PRO A 127 -6.613 -7.413 -23.710 1.00 0.00 O ATOM 1902 CB PRO A 127 -3.965 -9.168 -22.329 1.00 0.00 C ATOM 1903 CG PRO A 127 -3.902 -10.674 -22.133 1.00 0.00 C ATOM 1904 CD PRO A 127 -5.210 -11.116 -21.495 1.00 0.00 C ATOM 0 HA PRO A 127 -5.505 -7.844 -21.590 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -3.614 -8.889 -23.322 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -3.328 -8.654 -21.610 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.754 -11.177 -23.088 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -3.058 -10.941 -21.498 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -5.702 -11.885 -22.091 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -5.044 -11.538 -20.504 1.00 0.00 H new ATOM 1912 N SER A 128 -6.230 -9.571 -24.268 1.00 0.00 N ATOM 1913 CA SER A 128 -6.894 -9.471 -25.556 1.00 0.00 C ATOM 1914 C SER A 128 -6.342 -8.278 -26.339 1.00 0.00 C ATOM 1915 O SER A 128 -6.787 -7.147 -26.148 1.00 0.00 O ATOM 1916 CB SER A 128 -8.409 -9.340 -25.387 1.00 0.00 C ATOM 1917 OG SER A 128 -8.956 -10.413 -24.626 1.00 0.00 O ATOM 0 H SER A 128 -5.845 -10.492 -24.057 1.00 0.00 H new ATOM 0 HA SER A 128 -6.696 -10.386 -26.114 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.639 -8.394 -24.897 1.00 0.00 H new ATOM 0 HB3 SER A 128 -8.882 -9.313 -26.369 1.00 0.00 H new ATOM 0 HG SER A 128 -9.925 -10.292 -24.539 1.00 0.00 H new ATOM 1923 N SER A 129 -5.381 -8.571 -27.202 1.00 0.00 N ATOM 1924 CA SER A 129 -4.763 -7.536 -28.014 1.00 0.00 C ATOM 1925 C SER A 129 -5.309 -7.597 -29.442 1.00 0.00 C ATOM 1926 O SER A 129 -5.972 -8.562 -29.817 1.00 0.00 O ATOM 1927 CB SER A 129 -3.240 -7.677 -28.021 1.00 0.00 C ATOM 1928 OG SER A 129 -2.820 -8.903 -28.613 1.00 0.00 O ATOM 0 H SER A 129 -5.015 -9.510 -27.357 1.00 0.00 H new ATOM 0 HA SER A 129 -5.008 -6.567 -27.579 1.00 0.00 H new ATOM 0 HB2 SER A 129 -2.801 -6.842 -28.567 1.00 0.00 H new ATOM 0 HB3 SER A 129 -2.866 -7.621 -26.999 1.00 0.00 H new ATOM 0 HG SER A 129 -1.841 -8.954 -28.600 1.00 0.00 H new ATOM 1934 N GLY A 130 -5.008 -6.553 -30.201 1.00 0.00 N ATOM 1935 CA GLY A 130 -5.459 -6.475 -31.580 1.00 0.00 C ATOM 1936 C GLY A 130 -6.831 -5.804 -31.671 1.00 0.00 C ATOM 1937 O GLY A 130 -7.095 -4.827 -30.973 1.00 0.00 O ATOM 0 H GLY A 130 -4.457 -5.754 -29.887 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.736 -5.914 -32.172 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.511 -7.477 -32.007 1.00 0.00 H new TER 1941 GLY A 130