USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 90 THR OG1 : rot 180:sc= -0.0914 USER MOD Set 1.2: A 93 GLN : amide:sc= -1.87 X(o=-2,f=-2.3) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= -0.0534 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -1.9 (180deg=-4.86!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= -1.65 (180deg=-1.66) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 56:sc= -5.53! USER MOD Single : A 53 SER OG : rot 180:sc= -4.28! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 59 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.7) USER MOD Single : A 61 TYR OH : rot 180:sc=-0.00156 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.41) USER MOD Single : A 81 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.75) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 87 THR OG1 : rot -94:sc= 0.134 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -165:sc= -11.7! (180deg=-13.2!) USER MOD Single : A 95 TYR OH : rot -130:sc= -1.77! USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -14.2! C(o=-14!,f=-14!) USER MOD Single : A 99 HIS : +bothHN:sc= -4.92! C(o=-4.9!,f=-15!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0073 USER MOD Single : A 109 TYR OH : rot -100:sc= -1.26! USER MOD Single : A 110 SER OG : rot -150:sc= -1.6! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -3.656 10.229 10.907 1.00 0.00 N ATOM 2 CA GLY A 18 -3.430 10.662 9.498 1.00 0.00 C ATOM 3 C GLY A 18 -3.559 12.184 9.404 1.00 0.00 C ATOM 4 O GLY A 18 -2.867 12.829 8.642 1.00 0.00 O ATOM 0 HA2 GLY A 18 -2.441 10.349 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.154 10.184 8.839 1.00 0.00 H new ATOM 8 N GLU A 19 -4.443 12.762 10.170 1.00 0.00 N ATOM 9 CA GLU A 19 -4.617 14.242 10.122 1.00 0.00 C ATOM 10 C GLU A 19 -3.286 14.941 10.412 1.00 0.00 C ATOM 11 O GLU A 19 -2.952 15.939 9.804 1.00 0.00 O ATOM 12 CB GLU A 19 -5.639 14.556 11.216 1.00 0.00 C ATOM 13 CG GLU A 19 -6.536 15.708 10.763 1.00 0.00 C ATOM 14 CD GLU A 19 -6.528 16.811 11.824 1.00 0.00 C ATOM 15 OE1 GLU A 19 -5.453 17.300 12.132 1.00 0.00 O ATOM 16 OE2 GLU A 19 -7.595 17.146 12.309 1.00 0.00 O ATOM 0 H GLU A 19 -5.052 12.274 10.827 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.949 14.588 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.242 13.673 11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.127 14.822 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.184 16.103 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.553 15.350 10.604 1.00 0.00 H new ATOM 23 N LYS A 20 -2.526 14.428 11.342 1.00 0.00 N ATOM 24 CA LYS A 20 -1.220 15.067 11.674 1.00 0.00 C ATOM 25 C LYS A 20 -0.172 14.738 10.606 1.00 0.00 C ATOM 26 O LYS A 20 0.839 15.401 10.492 1.00 0.00 O ATOM 27 CB LYS A 20 -0.816 14.465 13.021 1.00 0.00 C ATOM 28 CG LYS A 20 -1.526 15.213 14.149 1.00 0.00 C ATOM 29 CD LYS A 20 -2.316 14.220 15.003 1.00 0.00 C ATOM 30 CE LYS A 20 -1.452 13.758 16.179 1.00 0.00 C ATOM 31 NZ LYS A 20 -2.312 12.807 16.938 1.00 0.00 N ATOM 0 H LYS A 20 -2.753 13.595 11.886 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.296 16.154 11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.077 13.407 13.051 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.264 14.530 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.797 15.739 14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.196 15.966 13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.230 14.687 15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.616 13.363 14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.539 13.274 15.832 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.150 14.600 16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.788 12.446 17.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.170 13.297 17.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.579 12.013 16.322 1.00 0.00 H new ATOM 45 N ILE A 21 -0.402 13.721 9.820 1.00 0.00 N ATOM 46 CA ILE A 21 0.587 13.360 8.764 1.00 0.00 C ATOM 47 C ILE A 21 0.588 14.424 7.663 1.00 0.00 C ATOM 48 O ILE A 21 1.522 14.534 6.896 1.00 0.00 O ATOM 49 CB ILE A 21 0.117 12.002 8.225 1.00 0.00 C ATOM 50 CG1 ILE A 21 0.640 10.880 9.132 1.00 0.00 C ATOM 51 CG2 ILE A 21 0.653 11.786 6.807 1.00 0.00 C ATOM 52 CD1 ILE A 21 0.433 11.256 10.602 1.00 0.00 C ATOM 0 H ILE A 21 -1.229 13.126 9.863 1.00 0.00 H new ATOM 0 HA ILE A 21 1.607 13.305 9.145 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.973 11.988 8.207 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.119 9.949 8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.699 10.708 8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.314 10.820 6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.284 12.577 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.743 11.807 6.823 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.807 10.454 11.239 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.974 12.176 10.822 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.630 11.405 10.793 1.00 0.00 H new ATOM 64 N ARG A 22 -0.446 15.213 7.584 1.00 0.00 N ATOM 65 CA ARG A 22 -0.488 16.271 6.535 1.00 0.00 C ATOM 66 C ARG A 22 0.124 17.561 7.077 1.00 0.00 C ATOM 67 O ARG A 22 0.981 18.157 6.457 1.00 0.00 O ATOM 68 CB ARG A 22 -1.971 16.457 6.211 1.00 0.00 C ATOM 69 CG ARG A 22 -2.562 15.130 5.714 1.00 0.00 C ATOM 70 CD ARG A 22 -1.576 14.445 4.759 1.00 0.00 C ATOM 71 NE ARG A 22 -1.421 15.393 3.621 1.00 0.00 N ATOM 72 CZ ARG A 22 -1.979 15.130 2.471 1.00 0.00 C ATOM 73 NH1 ARG A 22 -3.257 15.339 2.303 1.00 0.00 N ATOM 74 NH2 ARG A 22 -1.260 14.658 1.489 1.00 0.00 N ATOM 0 H ARG A 22 -1.261 15.173 8.197 1.00 0.00 H new ATOM 0 HA ARG A 22 0.080 16.001 5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.507 16.796 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.093 17.228 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.775 14.477 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.509 15.311 5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.620 14.255 5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.958 13.482 4.421 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.878 16.248 3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.819 15.708 3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.694 15.134 1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.262 14.495 1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.696 14.453 0.590 1.00 0.00 H new ATOM 86 N LYS A 23 -0.293 17.990 8.237 1.00 0.00 N ATOM 87 CA LYS A 23 0.292 19.232 8.812 1.00 0.00 C ATOM 88 C LYS A 23 1.812 19.182 8.658 1.00 0.00 C ATOM 89 O LYS A 23 2.440 20.136 8.243 1.00 0.00 O ATOM 90 CB LYS A 23 -0.103 19.211 10.289 1.00 0.00 C ATOM 91 CG LYS A 23 -0.893 20.476 10.627 1.00 0.00 C ATOM 92 CD LYS A 23 -1.192 20.505 12.127 1.00 0.00 C ATOM 93 CE LYS A 23 -2.237 21.583 12.421 1.00 0.00 C ATOM 94 NZ LYS A 23 -3.364 20.860 13.071 1.00 0.00 N ATOM 0 H LYS A 23 -1.008 17.538 8.807 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.061 20.138 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.704 18.327 10.503 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.788 19.149 10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.323 21.360 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.823 20.499 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.557 19.531 12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.279 20.707 12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.834 22.355 13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.561 22.078 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.121 21.534 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.732 20.136 12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.027 20.404 13.943 1.00 0.00 H new ATOM 108 N LYS A 24 2.404 18.063 8.978 1.00 0.00 N ATOM 109 CA LYS A 24 3.879 17.926 8.841 1.00 0.00 C ATOM 110 C LYS A 24 4.231 17.510 7.412 1.00 0.00 C ATOM 111 O LYS A 24 5.088 18.092 6.777 1.00 0.00 O ATOM 112 CB LYS A 24 4.286 16.827 9.826 1.00 0.00 C ATOM 113 CG LYS A 24 3.491 16.971 11.124 1.00 0.00 C ATOM 114 CD LYS A 24 4.357 16.530 12.306 1.00 0.00 C ATOM 115 CE LYS A 24 5.009 15.184 11.987 1.00 0.00 C ATOM 116 NZ LYS A 24 5.799 14.842 13.203 1.00 0.00 N ATOM 0 H LYS A 24 1.925 17.234 9.330 1.00 0.00 H new ATOM 0 HA LYS A 24 4.396 18.863 9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.105 15.847 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.354 16.891 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.176 18.006 11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.586 16.366 11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.123 17.278 12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.748 16.447 13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.259 14.422 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.649 15.254 11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.277 13.929 13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.509 15.582 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.163 14.776 14.023 1.00 0.00 H new ATOM 130 N TYR A 25 3.578 16.497 6.901 1.00 0.00 N ATOM 131 CA TYR A 25 3.883 16.042 5.515 1.00 0.00 C ATOM 132 C TYR A 25 2.709 16.353 4.580 1.00 0.00 C ATOM 133 O TYR A 25 2.028 15.457 4.122 1.00 0.00 O ATOM 134 CB TYR A 25 4.087 14.527 5.627 1.00 0.00 C ATOM 135 CG TYR A 25 4.849 14.198 6.891 1.00 0.00 C ATOM 136 CD1 TYR A 25 6.203 14.534 7.002 1.00 0.00 C ATOM 137 CD2 TYR A 25 4.198 13.557 7.952 1.00 0.00 C ATOM 138 CE1 TYR A 25 6.907 14.229 8.173 1.00 0.00 C ATOM 139 CE2 TYR A 25 4.901 13.252 9.124 1.00 0.00 C ATOM 140 CZ TYR A 25 6.256 13.587 9.235 1.00 0.00 C ATOM 141 OH TYR A 25 6.949 13.286 10.389 1.00 0.00 O ATOM 0 H TYR A 25 2.850 15.969 7.383 1.00 0.00 H new ATOM 0 HA TYR A 25 4.759 16.544 5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.121 14.022 5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.633 14.160 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.705 15.029 6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.153 13.298 7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.952 14.489 8.258 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.398 12.758 9.942 1.00 0.00 H new ATOM 0 HH TYR A 25 6.349 12.843 11.025 1.00 0.00 H new ATOM 151 N PRO A 26 2.514 17.620 4.326 1.00 0.00 N ATOM 152 CA PRO A 26 1.411 18.056 3.432 1.00 0.00 C ATOM 153 C PRO A 26 1.728 17.700 1.978 1.00 0.00 C ATOM 154 O PRO A 26 0.878 17.765 1.113 1.00 0.00 O ATOM 155 CB PRO A 26 1.373 19.570 3.624 1.00 0.00 C ATOM 156 CG PRO A 26 2.752 19.934 4.074 1.00 0.00 C ATOM 157 CD PRO A 26 3.290 18.754 4.839 1.00 0.00 C ATOM 0 HA PRO A 26 0.459 17.577 3.661 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.112 20.080 2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.627 19.856 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.389 20.163 3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.730 20.824 4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.358 18.619 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.154 18.878 5.913 1.00 0.00 H new ATOM 165 N ASP A 27 2.948 17.324 1.702 1.00 0.00 N ATOM 166 CA ASP A 27 3.319 16.966 0.303 1.00 0.00 C ATOM 167 C ASP A 27 3.610 15.466 0.202 1.00 0.00 C ATOM 168 O ASP A 27 4.153 14.994 -0.777 1.00 0.00 O ATOM 169 CB ASP A 27 4.580 17.778 0.008 1.00 0.00 C ATOM 170 CG ASP A 27 4.294 18.778 -1.114 1.00 0.00 C ATOM 171 OD1 ASP A 27 3.304 18.598 -1.804 1.00 0.00 O ATOM 172 OD2 ASP A 27 5.070 19.706 -1.265 1.00 0.00 O ATOM 0 H ASP A 27 3.703 17.249 2.384 1.00 0.00 H new ATOM 0 HA ASP A 27 2.520 17.183 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.904 18.305 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.394 17.113 -0.282 1.00 0.00 H new ATOM 177 N ARG A 28 3.252 14.715 1.207 1.00 0.00 N ATOM 178 CA ARG A 28 3.507 13.246 1.168 1.00 0.00 C ATOM 179 C ARG A 28 2.200 12.491 0.905 1.00 0.00 C ATOM 180 O ARG A 28 1.229 13.058 0.441 1.00 0.00 O ATOM 181 CB ARG A 28 4.058 12.906 2.554 1.00 0.00 C ATOM 182 CG ARG A 28 5.581 13.060 2.550 1.00 0.00 C ATOM 183 CD ARG A 28 5.947 14.520 2.276 1.00 0.00 C ATOM 184 NE ARG A 28 7.060 14.821 3.217 1.00 0.00 N ATOM 185 CZ ARG A 28 8.075 15.539 2.821 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.990 16.842 2.818 1.00 0.00 N ATOM 187 NH2 ARG A 28 9.174 14.955 2.429 1.00 0.00 N ATOM 0 H ARG A 28 2.794 15.054 2.053 1.00 0.00 H new ATOM 0 HA ARG A 28 4.199 12.964 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.617 13.563 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.786 11.886 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.991 12.745 3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.020 12.415 1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.256 14.662 1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.096 15.179 2.447 1.00 0.00 H new ATOM 0 HE ARG A 28 7.029 14.466 4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.131 17.298 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.783 17.404 2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.240 13.937 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.967 15.516 2.119 1.00 0.00 H new ATOM 199 N VAL A 29 2.164 11.221 1.201 1.00 0.00 N ATOM 200 CA VAL A 29 0.916 10.438 0.969 1.00 0.00 C ATOM 201 C VAL A 29 0.735 9.393 2.074 1.00 0.00 C ATOM 202 O VAL A 29 1.420 8.384 2.099 1.00 0.00 O ATOM 203 CB VAL A 29 1.109 9.762 -0.391 1.00 0.00 C ATOM 204 CG1 VAL A 29 0.092 8.628 -0.551 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.897 10.787 -1.507 1.00 0.00 C ATOM 0 H VAL A 29 2.943 10.692 1.593 1.00 0.00 H new ATOM 0 HA VAL A 29 0.027 11.068 0.981 1.00 0.00 H new ATOM 0 HB VAL A 29 2.120 9.358 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.231 8.148 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.238 7.894 0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.918 9.033 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.035 10.305 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.113 11.191 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.619 11.597 -1.399 1.00 0.00 H new ATOM 215 N PRO A 30 -0.192 9.677 2.952 1.00 0.00 N ATOM 216 CA PRO A 30 -0.494 8.760 4.079 1.00 0.00 C ATOM 217 C PRO A 30 -1.275 7.543 3.571 1.00 0.00 C ATOM 218 O PRO A 30 -2.491 7.514 3.596 1.00 0.00 O ATOM 219 CB PRO A 30 -1.360 9.606 5.007 1.00 0.00 C ATOM 220 CG PRO A 30 -1.984 10.638 4.122 1.00 0.00 C ATOM 221 CD PRO A 30 -1.034 10.877 2.977 1.00 0.00 C ATOM 0 HA PRO A 30 0.398 8.374 4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.119 8.999 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.762 10.069 5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.951 10.295 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.162 11.561 4.674 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.569 11.008 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.440 11.777 3.134 1.00 0.00 H new ATOM 229 N VAL A 31 -0.587 6.548 3.091 1.00 0.00 N ATOM 230 CA VAL A 31 -1.282 5.347 2.569 1.00 0.00 C ATOM 231 C VAL A 31 -1.587 4.356 3.699 1.00 0.00 C ATOM 232 O VAL A 31 -0.841 4.230 4.650 1.00 0.00 O ATOM 233 CB VAL A 31 -0.302 4.731 1.557 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.433 5.832 0.790 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.725 3.846 2.272 1.00 0.00 C ATOM 0 H VAL A 31 0.431 6.517 3.038 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.240 5.597 2.114 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.877 4.123 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.123 5.380 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.290 6.447 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.990 6.454 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.410 3.419 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.287 4.446 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.209 3.043 2.798 1.00 0.00 H new ATOM 245 N ILE A 32 -2.662 3.632 3.580 1.00 0.00 N ATOM 246 CA ILE A 32 -3.004 2.621 4.619 1.00 0.00 C ATOM 247 C ILE A 32 -2.906 1.236 3.980 1.00 0.00 C ATOM 248 O ILE A 32 -3.154 1.074 2.802 1.00 0.00 O ATOM 249 CB ILE A 32 -4.440 2.948 5.058 1.00 0.00 C ATOM 250 CG1 ILE A 32 -4.398 3.924 6.237 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.166 1.671 5.495 1.00 0.00 C ATOM 252 CD1 ILE A 32 -3.879 5.284 5.766 1.00 0.00 C ATOM 0 H ILE A 32 -3.322 3.696 2.805 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.338 2.636 5.482 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.973 3.394 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.394 4.033 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.754 3.531 7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.182 1.917 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.200 0.969 4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.633 1.217 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.851 5.975 6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.875 5.169 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.541 5.679 4.995 1.00 0.00 H new ATOM 264 N VAL A 33 -2.528 0.239 4.724 1.00 0.00 N ATOM 265 CA VAL A 33 -2.402 -1.109 4.110 1.00 0.00 C ATOM 266 C VAL A 33 -3.252 -2.142 4.861 1.00 0.00 C ATOM 267 O VAL A 33 -3.528 -2.012 6.037 1.00 0.00 O ATOM 268 CB VAL A 33 -0.896 -1.424 4.178 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.602 -2.536 5.193 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.424 -1.862 2.791 1.00 0.00 C ATOM 0 H VAL A 33 -2.303 0.296 5.717 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.769 -1.140 3.084 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.366 -0.528 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.470 -2.734 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.935 -2.223 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.132 -3.443 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.642 -2.089 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.975 -2.751 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.602 -1.059 2.076 1.00 0.00 H new ATOM 280 N GLU A 34 -3.660 -3.167 4.169 1.00 0.00 N ATOM 281 CA GLU A 34 -4.487 -4.234 4.794 1.00 0.00 C ATOM 282 C GLU A 34 -4.323 -5.524 3.992 1.00 0.00 C ATOM 283 O GLU A 34 -3.391 -5.669 3.229 1.00 0.00 O ATOM 284 CB GLU A 34 -5.927 -3.722 4.709 1.00 0.00 C ATOM 285 CG GLU A 34 -6.756 -4.339 5.837 1.00 0.00 C ATOM 286 CD GLU A 34 -7.728 -3.294 6.387 1.00 0.00 C ATOM 287 OE1 GLU A 34 -7.696 -2.174 5.904 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.486 -3.631 7.282 1.00 0.00 O ATOM 0 H GLU A 34 -3.452 -3.313 3.181 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.201 -4.447 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.943 -2.635 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.360 -3.980 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.307 -5.204 5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.100 -4.695 6.632 1.00 0.00 H new ATOM 295 N LYS A 35 -5.211 -6.461 4.146 1.00 0.00 N ATOM 296 CA LYS A 35 -5.076 -7.727 3.372 1.00 0.00 C ATOM 297 C LYS A 35 -6.402 -8.107 2.718 1.00 0.00 C ATOM 298 O LYS A 35 -7.461 -7.671 3.123 1.00 0.00 O ATOM 299 CB LYS A 35 -4.667 -8.786 4.391 1.00 0.00 C ATOM 300 CG LYS A 35 -3.436 -9.534 3.880 1.00 0.00 C ATOM 301 CD LYS A 35 -2.257 -8.564 3.774 1.00 0.00 C ATOM 302 CE LYS A 35 -1.958 -7.970 5.152 1.00 0.00 C ATOM 303 NZ LYS A 35 -1.997 -9.129 6.088 1.00 0.00 N ATOM 0 H LYS A 35 -6.018 -6.409 4.767 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.345 -7.628 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.449 -8.318 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.488 -9.484 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.188 -10.352 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.645 -9.977 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.378 -9.084 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.490 -7.768 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.983 -7.482 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.697 -7.217 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.312 -8.978 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.952 -9.219 6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.754 -9.999 5.573 1.00 0.00 H new ATOM 317 N ALA A 36 -6.344 -8.931 1.712 1.00 0.00 N ATOM 318 CA ALA A 36 -7.592 -9.365 1.023 1.00 0.00 C ATOM 319 C ALA A 36 -8.455 -10.172 1.996 1.00 0.00 C ATOM 320 O ALA A 36 -8.133 -10.272 3.163 1.00 0.00 O ATOM 321 CB ALA A 36 -7.116 -10.241 -0.139 1.00 0.00 C ATOM 0 H ALA A 36 -5.482 -9.325 1.334 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.197 -8.529 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.978 -10.602 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.475 -9.655 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.555 -11.090 0.251 1.00 0.00 H new ATOM 327 N PRO A 37 -9.526 -10.726 1.493 1.00 0.00 N ATOM 328 CA PRO A 37 -10.426 -11.528 2.353 1.00 0.00 C ATOM 329 C PRO A 37 -9.763 -12.860 2.714 1.00 0.00 C ATOM 330 O PRO A 37 -9.611 -13.736 1.887 1.00 0.00 O ATOM 331 CB PRO A 37 -11.663 -11.740 1.484 1.00 0.00 C ATOM 332 CG PRO A 37 -11.177 -11.605 0.077 1.00 0.00 C ATOM 333 CD PRO A 37 -9.998 -10.665 0.103 1.00 0.00 C ATOM 0 HA PRO A 37 -10.665 -11.044 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.103 -12.722 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.433 -11.002 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.887 -12.576 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.966 -11.216 -0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.222 -10.978 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.289 -9.652 -0.176 1.00 0.00 H new ATOM 341 N LYS A 38 -9.366 -13.014 3.948 1.00 0.00 N ATOM 342 CA LYS A 38 -8.711 -14.282 4.375 1.00 0.00 C ATOM 343 C LYS A 38 -7.372 -14.466 3.652 1.00 0.00 C ATOM 344 O LYS A 38 -7.029 -15.555 3.236 1.00 0.00 O ATOM 345 CB LYS A 38 -9.695 -15.380 3.983 1.00 0.00 C ATOM 346 CG LYS A 38 -10.224 -16.063 5.245 1.00 0.00 C ATOM 347 CD LYS A 38 -11.701 -16.412 5.056 1.00 0.00 C ATOM 348 CE LYS A 38 -12.289 -16.885 6.388 1.00 0.00 C ATOM 349 NZ LYS A 38 -12.213 -18.372 6.333 1.00 0.00 N ATOM 0 H LYS A 38 -9.468 -12.313 4.681 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.489 -14.294 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.521 -14.956 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.204 -16.110 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.649 -16.966 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.102 -15.405 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.248 -15.541 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.808 -17.192 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.723 -16.491 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.318 -16.546 6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.598 -18.772 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.767 -18.718 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.221 -18.665 6.225 1.00 0.00 H new ATOM 363 N ALA A 39 -6.610 -13.414 3.506 1.00 0.00 N ATOM 364 CA ALA A 39 -5.294 -13.543 2.817 1.00 0.00 C ATOM 365 C ALA A 39 -4.378 -14.475 3.616 1.00 0.00 C ATOM 366 O ALA A 39 -4.743 -14.965 4.665 1.00 0.00 O ATOM 367 CB ALA A 39 -4.721 -12.126 2.784 1.00 0.00 C ATOM 0 H ALA A 39 -6.841 -12.476 3.833 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.388 -13.964 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.749 -12.138 2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.399 -11.472 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.606 -11.756 3.803 1.00 0.00 H new ATOM 373 N ARG A 40 -3.192 -14.727 3.130 1.00 0.00 N ATOM 374 CA ARG A 40 -2.268 -15.631 3.873 1.00 0.00 C ATOM 375 C ARG A 40 -0.815 -15.173 3.710 1.00 0.00 C ATOM 376 O ARG A 40 0.104 -15.967 3.770 1.00 0.00 O ATOM 377 CB ARG A 40 -2.471 -17.010 3.248 1.00 0.00 C ATOM 378 CG ARG A 40 -1.956 -17.000 1.808 1.00 0.00 C ATOM 379 CD ARG A 40 -1.729 -18.439 1.339 1.00 0.00 C ATOM 380 NE ARG A 40 -0.867 -18.318 0.131 1.00 0.00 N ATOM 381 CZ ARG A 40 -0.877 -19.259 -0.774 1.00 0.00 C ATOM 382 NH1 ARG A 40 -1.351 -20.439 -0.484 1.00 0.00 N ATOM 383 NH2 ARG A 40 -0.411 -19.018 -1.969 1.00 0.00 N ATOM 0 H ARG A 40 -2.825 -14.349 2.257 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.475 -15.634 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.942 -17.765 3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.528 -17.277 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.675 -16.503 1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.026 -16.435 1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.244 -19.034 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.673 -18.931 1.103 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.269 -17.500 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.714 -20.627 0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.358 -21.174 -1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.040 -18.095 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.418 -19.752 -2.677 1.00 0.00 H new ATOM 395 N ILE A 41 -0.595 -13.901 3.516 1.00 0.00 N ATOM 396 CA ILE A 41 0.804 -13.409 3.365 1.00 0.00 C ATOM 397 C ILE A 41 1.413 -13.145 4.750 1.00 0.00 C ATOM 398 O ILE A 41 0.778 -13.366 5.763 1.00 0.00 O ATOM 399 CB ILE A 41 0.728 -12.135 2.496 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.126 -11.035 3.150 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.116 -12.491 1.141 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.562 -10.526 4.406 1.00 0.00 C ATOM 0 H ILE A 41 -1.319 -13.185 3.456 1.00 0.00 H new ATOM 0 HA ILE A 41 1.452 -14.140 2.882 1.00 0.00 H new ATOM 0 HB ILE A 41 1.742 -11.751 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.277 -10.214 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.112 -11.427 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.059 -11.596 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.738 -13.237 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.886 -12.894 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.047 -9.747 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.690 -11.349 5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.538 -10.117 4.146 1.00 0.00 H new ATOM 414 N GLY A 42 2.647 -12.712 4.815 1.00 0.00 N ATOM 415 CA GLY A 42 3.284 -12.487 6.152 1.00 0.00 C ATOM 416 C GLY A 42 2.646 -11.306 6.876 1.00 0.00 C ATOM 417 O GLY A 42 2.240 -10.329 6.285 1.00 0.00 O ATOM 0 H GLY A 42 3.238 -12.506 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.186 -13.386 6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.351 -12.305 6.023 1.00 0.00 H new ATOM 421 N ASP A 43 2.578 -11.396 8.166 1.00 0.00 N ATOM 422 CA ASP A 43 1.977 -10.292 8.968 1.00 0.00 C ATOM 423 C ASP A 43 3.032 -9.244 9.325 1.00 0.00 C ATOM 424 O ASP A 43 4.218 -9.484 9.241 1.00 0.00 O ATOM 425 CB ASP A 43 1.442 -10.958 10.233 1.00 0.00 C ATOM 426 CG ASP A 43 0.197 -10.213 10.717 1.00 0.00 C ATOM 427 OD1 ASP A 43 -0.872 -10.483 10.194 1.00 0.00 O ATOM 428 OD2 ASP A 43 0.333 -9.386 11.604 1.00 0.00 O ATOM 0 H ASP A 43 2.914 -12.191 8.710 1.00 0.00 H new ATOM 0 HA ASP A 43 1.194 -9.774 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.199 -12.001 10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.206 -10.953 11.010 1.00 0.00 H new ATOM 433 N LEU A 44 2.594 -8.086 9.734 1.00 0.00 N ATOM 434 CA LEU A 44 3.548 -7.000 10.113 1.00 0.00 C ATOM 435 C LEU A 44 2.879 -6.062 11.123 1.00 0.00 C ATOM 436 O LEU A 44 1.704 -5.772 11.028 1.00 0.00 O ATOM 437 CB LEU A 44 3.833 -6.243 8.814 1.00 0.00 C ATOM 438 CG LEU A 44 5.342 -6.040 8.612 1.00 0.00 C ATOM 439 CD1 LEU A 44 5.861 -4.979 9.583 1.00 0.00 C ATOM 440 CD2 LEU A 44 6.091 -7.355 8.845 1.00 0.00 C ATOM 0 H LEU A 44 1.608 -7.841 9.823 1.00 0.00 H new ATOM 0 HA LEU A 44 4.459 -7.390 10.567 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.421 -6.796 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.332 -5.275 8.836 1.00 0.00 H new ATOM 0 HG LEU A 44 5.514 -5.709 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.932 -4.841 9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.345 -4.036 9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.677 -5.302 10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.159 -7.196 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.912 -7.700 9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.736 -8.106 8.139 1.00 0.00 H new ATOM 452 N ASP A 45 3.617 -5.582 12.080 1.00 0.00 N ATOM 453 CA ASP A 45 3.024 -4.657 13.089 1.00 0.00 C ATOM 454 C ASP A 45 3.026 -3.222 12.551 1.00 0.00 C ATOM 455 O ASP A 45 3.336 -2.286 13.260 1.00 0.00 O ATOM 456 CB ASP A 45 3.933 -4.771 14.314 1.00 0.00 C ATOM 457 CG ASP A 45 3.077 -4.898 15.576 1.00 0.00 C ATOM 458 OD1 ASP A 45 1.887 -4.646 15.490 1.00 0.00 O ATOM 459 OD2 ASP A 45 3.628 -5.245 16.607 1.00 0.00 O ATOM 0 H ASP A 45 4.607 -5.789 12.210 1.00 0.00 H new ATOM 0 HA ASP A 45 1.990 -4.909 13.325 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.586 -5.638 14.216 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.577 -3.894 14.385 1.00 0.00 H new ATOM 464 N LYS A 46 2.686 -3.044 11.302 1.00 0.00 N ATOM 465 CA LYS A 46 2.673 -1.671 10.719 1.00 0.00 C ATOM 466 C LYS A 46 1.801 -1.645 9.453 1.00 0.00 C ATOM 467 O LYS A 46 2.194 -2.143 8.417 1.00 0.00 O ATOM 468 CB LYS A 46 4.133 -1.386 10.362 1.00 0.00 C ATOM 469 CG LYS A 46 4.887 -0.937 11.616 1.00 0.00 C ATOM 470 CD LYS A 46 5.679 -2.115 12.184 1.00 0.00 C ATOM 471 CE LYS A 46 7.177 -1.843 12.032 1.00 0.00 C ATOM 472 NZ LYS A 46 7.467 -2.088 10.592 1.00 0.00 N ATOM 0 H LYS A 46 2.417 -3.790 10.661 1.00 0.00 H new ATOM 0 HA LYS A 46 2.264 -0.931 11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.598 -2.280 9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.187 -0.613 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.561 -0.115 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.185 -0.564 12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.430 -2.262 13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.410 -3.033 11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.424 -0.820 12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.765 -2.502 12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.461 -1.857 10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.293 -3.089 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.849 -1.490 10.007 1.00 0.00 H new ATOM 486 N LYS A 47 0.621 -1.076 9.518 1.00 0.00 N ATOM 487 CA LYS A 47 -0.250 -1.040 8.303 1.00 0.00 C ATOM 488 C LYS A 47 -0.473 0.403 7.842 1.00 0.00 C ATOM 489 O LYS A 47 -1.583 0.821 7.579 1.00 0.00 O ATOM 490 CB LYS A 47 -1.572 -1.691 8.728 1.00 0.00 C ATOM 491 CG LYS A 47 -2.314 -0.791 9.723 1.00 0.00 C ATOM 492 CD LYS A 47 -1.837 -1.094 11.144 1.00 0.00 C ATOM 493 CE LYS A 47 -1.383 0.204 11.818 1.00 0.00 C ATOM 494 NZ LYS A 47 -2.175 0.280 13.077 1.00 0.00 N ATOM 0 H LYS A 47 0.227 -0.639 10.351 1.00 0.00 H new ATOM 0 HA LYS A 47 0.203 -1.566 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.196 -1.868 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.377 -2.663 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.135 0.257 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.389 -0.956 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.641 -1.553 11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.015 -1.810 11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.313 0.188 12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.572 1.067 11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.920 1.144 13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.189 0.300 12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.970 -0.551 13.667 1.00 0.00 H new ATOM 508 N LYS A 48 0.579 1.163 7.735 1.00 0.00 N ATOM 509 CA LYS A 48 0.441 2.576 7.284 1.00 0.00 C ATOM 510 C LYS A 48 1.795 3.092 6.799 1.00 0.00 C ATOM 511 O LYS A 48 2.712 3.266 7.577 1.00 0.00 O ATOM 512 CB LYS A 48 -0.017 3.347 8.522 1.00 0.00 C ATOM 513 CG LYS A 48 0.909 3.023 9.696 1.00 0.00 C ATOM 514 CD LYS A 48 1.669 4.285 10.109 1.00 0.00 C ATOM 515 CE LYS A 48 1.412 4.574 11.590 1.00 0.00 C ATOM 516 NZ LYS A 48 1.679 6.031 11.749 1.00 0.00 N ATOM 0 H LYS A 48 1.533 0.866 7.941 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.263 2.686 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.006 4.418 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.044 3.080 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.329 2.643 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.611 2.239 9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.737 4.153 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.348 5.131 9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.387 4.328 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.067 3.981 12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.524 6.306 12.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.664 6.235 11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.036 6.571 11.135 1.00 0.00 H new ATOM 530 N TYR A 49 1.938 3.335 5.525 1.00 0.00 N ATOM 531 CA TYR A 49 3.248 3.832 5.021 1.00 0.00 C ATOM 532 C TYR A 49 3.154 5.310 4.651 1.00 0.00 C ATOM 533 O TYR A 49 2.173 5.767 4.097 1.00 0.00 O ATOM 534 CB TYR A 49 3.555 2.999 3.777 1.00 0.00 C ATOM 535 CG TYR A 49 3.794 1.560 4.163 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.733 0.765 4.614 1.00 0.00 C ATOM 537 CD2 TYR A 49 5.080 1.021 4.070 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.961 -0.568 4.973 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.309 -0.312 4.427 1.00 0.00 C ATOM 540 CZ TYR A 49 4.249 -1.107 4.880 1.00 0.00 C ATOM 541 OH TYR A 49 4.472 -2.420 5.235 1.00 0.00 O ATOM 0 H TYR A 49 1.213 3.212 4.818 1.00 0.00 H new ATOM 0 HA TYR A 49 4.028 3.738 5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.725 3.062 3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.433 3.398 3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.739 1.181 4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.898 1.634 3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.143 -1.181 5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.303 -0.728 4.353 1.00 0.00 H new ATOM 0 HH TYR A 49 3.880 -3.004 4.716 1.00 0.00 H new ATOM 551 N LEU A 50 4.182 6.050 4.935 1.00 0.00 N ATOM 552 CA LEU A 50 4.188 7.497 4.587 1.00 0.00 C ATOM 553 C LEU A 50 5.148 7.710 3.419 1.00 0.00 C ATOM 554 O LEU A 50 6.339 7.863 3.603 1.00 0.00 O ATOM 555 CB LEU A 50 4.692 8.211 5.842 1.00 0.00 C ATOM 556 CG LEU A 50 3.509 8.838 6.582 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.634 7.733 7.175 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.029 9.735 7.707 1.00 0.00 C ATOM 0 H LEU A 50 5.027 5.714 5.397 1.00 0.00 H new ATOM 0 HA LEU A 50 3.209 7.872 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.209 7.505 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.414 8.981 5.570 1.00 0.00 H new ATOM 0 HG LEU A 50 2.919 9.433 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.791 8.180 7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.263 7.093 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.223 7.137 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.187 10.182 8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.619 9.140 8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.652 10.523 7.285 1.00 0.00 H new ATOM 570 N VAL A 51 4.648 7.695 2.215 1.00 0.00 N ATOM 571 CA VAL A 51 5.552 7.870 1.044 1.00 0.00 C ATOM 572 C VAL A 51 5.186 9.130 0.260 1.00 0.00 C ATOM 573 O VAL A 51 4.058 9.574 0.285 1.00 0.00 O ATOM 574 CB VAL A 51 5.330 6.620 0.192 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.532 5.370 1.055 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.904 6.630 -0.362 1.00 0.00 C ATOM 0 H VAL A 51 3.661 7.570 1.992 1.00 0.00 H new ATOM 0 HA VAL A 51 6.594 7.986 1.343 1.00 0.00 H new ATOM 0 HB VAL A 51 6.043 6.611 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.374 4.479 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.547 5.362 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.819 5.378 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.744 5.740 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.193 6.638 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.758 7.519 -0.975 1.00 0.00 H new ATOM 586 N PRO A 52 6.167 9.663 -0.414 1.00 0.00 N ATOM 587 CA PRO A 52 5.961 10.889 -1.220 1.00 0.00 C ATOM 588 C PRO A 52 5.124 10.565 -2.465 1.00 0.00 C ATOM 589 O PRO A 52 5.177 9.475 -2.994 1.00 0.00 O ATOM 590 CB PRO A 52 7.381 11.317 -1.588 1.00 0.00 C ATOM 591 CG PRO A 52 8.193 10.064 -1.521 1.00 0.00 C ATOM 592 CD PRO A 52 7.549 9.175 -0.489 1.00 0.00 C ATOM 0 HA PRO A 52 5.419 11.675 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.415 11.756 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.758 12.069 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.220 9.570 -2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.224 10.287 -1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.587 8.127 -0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.053 9.252 0.475 1.00 0.00 H new ATOM 600 N SER A 53 4.336 11.501 -2.919 1.00 0.00 N ATOM 601 CA SER A 53 3.475 11.255 -4.111 1.00 0.00 C ATOM 602 C SER A 53 4.319 10.996 -5.365 1.00 0.00 C ATOM 603 O SER A 53 3.825 10.517 -6.366 1.00 0.00 O ATOM 604 CB SER A 53 2.664 12.540 -4.271 1.00 0.00 C ATOM 605 OG SER A 53 1.444 12.419 -3.550 1.00 0.00 O ATOM 0 H SER A 53 4.251 12.433 -2.512 1.00 0.00 H new ATOM 0 HA SER A 53 2.847 10.374 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.235 13.392 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.460 12.726 -5.325 1.00 0.00 H new ATOM 0 HG SER A 53 0.922 13.243 -3.649 1.00 0.00 H new ATOM 611 N ASP A 54 5.582 11.315 -5.326 1.00 0.00 N ATOM 612 CA ASP A 54 6.444 11.093 -6.522 1.00 0.00 C ATOM 613 C ASP A 54 6.950 9.647 -6.571 1.00 0.00 C ATOM 614 O ASP A 54 7.506 9.212 -7.560 1.00 0.00 O ATOM 615 CB ASP A 54 7.612 12.064 -6.348 1.00 0.00 C ATOM 616 CG ASP A 54 8.552 11.957 -7.551 1.00 0.00 C ATOM 617 OD1 ASP A 54 9.124 10.896 -7.739 1.00 0.00 O ATOM 618 OD2 ASP A 54 8.682 12.937 -8.264 1.00 0.00 O ATOM 0 H ASP A 54 6.056 11.720 -4.518 1.00 0.00 H new ATOM 0 HA ASP A 54 5.901 11.261 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.239 13.084 -6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.153 11.837 -5.429 1.00 0.00 H new ATOM 623 N LEU A 55 6.777 8.899 -5.514 1.00 0.00 N ATOM 624 CA LEU A 55 7.267 7.488 -5.517 1.00 0.00 C ATOM 625 C LEU A 55 6.566 6.665 -6.593 1.00 0.00 C ATOM 626 O LEU A 55 5.382 6.800 -6.830 1.00 0.00 O ATOM 627 CB LEU A 55 6.909 6.910 -4.146 1.00 0.00 C ATOM 628 CG LEU A 55 8.156 6.804 -3.272 1.00 0.00 C ATOM 629 CD1 LEU A 55 7.854 5.901 -2.075 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.313 6.195 -4.070 1.00 0.00 C ATOM 0 H LEU A 55 6.321 9.201 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 55 8.338 7.459 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.168 7.544 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.456 5.926 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 55 8.437 7.801 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.741 5.821 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.036 6.327 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.570 4.910 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.196 6.125 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.033 5.199 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.534 6.827 -4.930 1.00 0.00 H new ATOM 642 N THR A 56 7.293 5.792 -7.225 1.00 0.00 N ATOM 643 CA THR A 56 6.682 4.922 -8.266 1.00 0.00 C ATOM 644 C THR A 56 6.185 3.625 -7.619 1.00 0.00 C ATOM 645 O THR A 56 6.676 3.208 -6.586 1.00 0.00 O ATOM 646 CB THR A 56 7.809 4.632 -9.261 1.00 0.00 C ATOM 647 OG1 THR A 56 9.042 4.533 -8.561 1.00 0.00 O ATOM 648 CG2 THR A 56 7.891 5.764 -10.287 1.00 0.00 C ATOM 0 H THR A 56 8.289 5.642 -7.066 1.00 0.00 H new ATOM 0 HA THR A 56 5.828 5.390 -8.756 1.00 0.00 H new ATOM 0 HB THR A 56 7.607 3.693 -9.776 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.765 4.346 -9.196 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.694 5.556 -10.995 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.945 5.838 -10.823 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.093 6.705 -9.775 1.00 0.00 H new ATOM 656 N VAL A 57 5.218 2.984 -8.211 1.00 0.00 N ATOM 657 CA VAL A 57 4.702 1.717 -7.620 1.00 0.00 C ATOM 658 C VAL A 57 5.857 0.737 -7.392 1.00 0.00 C ATOM 659 O VAL A 57 5.758 -0.183 -6.604 1.00 0.00 O ATOM 660 CB VAL A 57 3.720 1.168 -8.655 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.431 -0.304 -8.357 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.416 1.965 -8.591 1.00 0.00 C ATOM 0 H VAL A 57 4.763 3.280 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 57 4.223 1.872 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 57 4.155 1.258 -9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.731 -0.694 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.359 -0.873 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.996 -0.395 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.715 1.575 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.983 1.875 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.620 3.014 -8.804 1.00 0.00 H new ATOM 672 N GLY A 58 6.953 0.927 -8.078 1.00 0.00 N ATOM 673 CA GLY A 58 8.114 0.009 -7.902 1.00 0.00 C ATOM 674 C GLY A 58 8.763 0.250 -6.535 1.00 0.00 C ATOM 675 O GLY A 58 9.134 -0.677 -5.844 1.00 0.00 O ATOM 0 H GLY A 58 7.093 1.679 -8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.785 -1.027 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.843 0.174 -8.695 1.00 0.00 H new ATOM 679 N GLN A 59 8.901 1.487 -6.138 1.00 0.00 N ATOM 680 CA GLN A 59 9.526 1.779 -4.814 1.00 0.00 C ATOM 681 C GLN A 59 8.613 1.296 -3.687 1.00 0.00 C ATOM 682 O GLN A 59 9.047 0.646 -2.749 1.00 0.00 O ATOM 683 CB GLN A 59 9.669 3.300 -4.771 1.00 0.00 C ATOM 684 CG GLN A 59 10.473 3.771 -5.984 1.00 0.00 C ATOM 685 CD GLN A 59 11.658 4.616 -5.515 1.00 0.00 C ATOM 686 OE1 GLN A 59 11.931 5.661 -6.073 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.379 4.207 -4.508 1.00 0.00 N ATOM 0 H GLN A 59 8.609 2.306 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 59 10.485 1.276 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.685 3.769 -4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.168 3.603 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.828 2.912 -6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.838 4.355 -6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.150 3.330 -4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.172 4.764 -4.189 1.00 0.00 H new ATOM 696 N PHE A 60 7.347 1.601 -3.767 1.00 0.00 N ATOM 697 CA PHE A 60 6.420 1.147 -2.696 1.00 0.00 C ATOM 698 C PHE A 60 6.422 -0.382 -2.626 1.00 0.00 C ATOM 699 O PHE A 60 6.540 -0.961 -1.568 1.00 0.00 O ATOM 700 CB PHE A 60 5.035 1.664 -3.095 1.00 0.00 C ATOM 701 CG PHE A 60 4.083 1.442 -1.944 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.409 1.922 -0.671 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.886 0.745 -2.143 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.541 1.708 0.404 1.00 0.00 C ATOM 705 CE2 PHE A 60 2.018 0.527 -1.065 1.00 0.00 C ATOM 706 CZ PHE A 60 2.347 1.009 0.208 1.00 0.00 C ATOM 0 H PHE A 60 6.919 2.139 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 60 6.714 1.521 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.085 2.724 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.680 1.144 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.333 2.459 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.632 0.376 -3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.793 2.083 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.095 -0.013 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.678 0.840 1.039 1.00 0.00 H new ATOM 716 N TYR A 61 6.310 -1.043 -3.745 1.00 0.00 N ATOM 717 CA TYR A 61 6.319 -2.529 -3.726 1.00 0.00 C ATOM 718 C TYR A 61 7.514 -3.030 -2.921 1.00 0.00 C ATOM 719 O TYR A 61 7.523 -4.141 -2.423 1.00 0.00 O ATOM 720 CB TYR A 61 6.440 -2.933 -5.192 1.00 0.00 C ATOM 721 CG TYR A 61 5.392 -3.971 -5.513 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.470 -5.247 -4.944 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.341 -3.653 -6.380 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.496 -6.207 -5.243 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.366 -4.612 -6.679 1.00 0.00 C ATOM 726 CZ TYR A 61 3.443 -5.890 -6.110 1.00 0.00 C ATOM 727 OH TYR A 61 2.482 -6.836 -6.404 1.00 0.00 O ATOM 0 H TYR A 61 6.213 -0.619 -4.667 1.00 0.00 H new ATOM 0 HA TYR A 61 5.428 -2.952 -3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.312 -2.061 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.435 -3.331 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.281 -5.491 -4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.282 -2.668 -6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.557 -7.192 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.555 -4.367 -7.348 1.00 0.00 H new ATOM 0 HH TYR A 61 1.823 -6.452 -7.020 1.00 0.00 H new ATOM 737 N PHE A 62 8.520 -2.218 -2.781 1.00 0.00 N ATOM 738 CA PHE A 62 9.714 -2.640 -2.003 1.00 0.00 C ATOM 739 C PHE A 62 9.452 -2.488 -0.501 1.00 0.00 C ATOM 740 O PHE A 62 9.625 -3.416 0.262 1.00 0.00 O ATOM 741 CB PHE A 62 10.831 -1.697 -2.450 1.00 0.00 C ATOM 742 CG PHE A 62 12.156 -2.414 -2.364 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.397 -3.537 -3.164 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.143 -1.955 -1.485 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.626 -4.202 -3.084 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.372 -2.620 -1.405 1.00 0.00 C ATOM 747 CZ PHE A 62 14.614 -3.744 -2.204 1.00 0.00 C ATOM 0 H PHE A 62 8.567 -1.277 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 62 9.969 -3.686 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.652 -1.362 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.845 -0.807 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.635 -3.890 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.957 -1.088 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.812 -5.069 -3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.134 -2.266 -0.727 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.562 -4.257 -2.142 1.00 0.00 H new ATOM 757 N LEU A 63 9.062 -1.318 -0.064 1.00 0.00 N ATOM 758 CA LEU A 63 8.828 -1.130 1.405 1.00 0.00 C ATOM 759 C LEU A 63 7.744 -2.079 1.952 1.00 0.00 C ATOM 760 O LEU A 63 7.701 -2.336 3.138 1.00 0.00 O ATOM 761 CB LEU A 63 8.454 0.348 1.629 1.00 0.00 C ATOM 762 CG LEU A 63 7.323 0.816 0.702 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.968 0.395 1.270 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.378 2.344 0.610 1.00 0.00 C ATOM 0 H LEU A 63 8.897 -0.497 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 63 9.735 -1.380 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.151 0.489 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.334 0.971 1.466 1.00 0.00 H new ATOM 0 HG LEU A 63 7.446 0.367 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.174 0.732 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.932 -0.691 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.831 0.843 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.582 2.698 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.248 2.773 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.343 2.650 0.206 1.00 0.00 H new ATOM 776 N ILE A 64 6.891 -2.637 1.126 1.00 0.00 N ATOM 777 CA ILE A 64 5.873 -3.591 1.684 1.00 0.00 C ATOM 778 C ILE A 64 6.429 -5.010 1.615 1.00 0.00 C ATOM 779 O ILE A 64 6.247 -5.803 2.514 1.00 0.00 O ATOM 780 CB ILE A 64 4.615 -3.511 0.813 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.380 -2.085 0.327 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.406 -3.976 1.635 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.981 -1.976 -0.279 1.00 0.00 C ATOM 0 H ILE A 64 6.852 -2.482 0.119 1.00 0.00 H new ATOM 0 HA ILE A 64 5.641 -3.336 2.718 1.00 0.00 H new ATOM 0 HB ILE A 64 4.749 -4.153 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.484 -1.385 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.131 -1.814 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.507 -3.922 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.562 -5.004 1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.290 -3.333 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.813 -0.956 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.894 -2.665 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.237 -2.229 0.476 1.00 0.00 H new ATOM 795 N ARG A 65 7.097 -5.329 0.538 1.00 0.00 N ATOM 796 CA ARG A 65 7.672 -6.701 0.379 1.00 0.00 C ATOM 797 C ARG A 65 8.197 -7.225 1.720 1.00 0.00 C ATOM 798 O ARG A 65 7.732 -8.226 2.228 1.00 0.00 O ATOM 799 CB ARG A 65 8.819 -6.535 -0.618 1.00 0.00 C ATOM 800 CG ARG A 65 8.567 -7.424 -1.837 1.00 0.00 C ATOM 801 CD ARG A 65 8.942 -6.662 -3.111 1.00 0.00 C ATOM 802 NE ARG A 65 10.248 -7.240 -3.533 1.00 0.00 N ATOM 803 CZ ARG A 65 10.316 -8.486 -3.916 1.00 0.00 C ATOM 804 NH1 ARG A 65 9.223 -9.146 -4.185 1.00 0.00 N ATOM 805 NH2 ARG A 65 11.477 -9.071 -4.031 1.00 0.00 N ATOM 0 H ARG A 65 7.271 -4.696 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 65 6.928 -7.419 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.900 -5.492 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.765 -6.803 -0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.155 -8.339 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.519 -7.721 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.185 -6.790 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.026 -5.592 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 65 11.089 -6.663 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.316 -8.688 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.276 -10.120 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.331 -8.555 -3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.530 -10.045 -4.330 1.00 0.00 H new ATOM 817 N LYS A 66 9.158 -6.563 2.301 1.00 0.00 N ATOM 818 CA LYS A 66 9.694 -7.036 3.610 1.00 0.00 C ATOM 819 C LYS A 66 8.608 -6.933 4.680 1.00 0.00 C ATOM 820 O LYS A 66 8.549 -7.725 5.599 1.00 0.00 O ATOM 821 CB LYS A 66 10.857 -6.099 3.932 1.00 0.00 C ATOM 822 CG LYS A 66 12.096 -6.532 3.144 1.00 0.00 C ATOM 823 CD LYS A 66 12.737 -5.308 2.490 1.00 0.00 C ATOM 824 CE LYS A 66 14.232 -5.279 2.814 1.00 0.00 C ATOM 825 NZ LYS A 66 14.913 -5.379 1.493 1.00 0.00 N ATOM 0 H LYS A 66 9.594 -5.719 1.930 1.00 0.00 H new ATOM 0 HA LYS A 66 10.016 -8.077 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.592 -5.073 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.068 -6.118 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.810 -7.019 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.819 -7.261 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.589 -5.340 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.258 -4.398 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.506 -4.360 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.511 -6.107 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.944 -5.366 1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.638 -6.267 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.634 -4.574 0.897 1.00 0.00 H new ATOM 839 N ARG A 67 7.745 -5.963 4.564 1.00 0.00 N ATOM 840 CA ARG A 67 6.658 -5.811 5.569 1.00 0.00 C ATOM 841 C ARG A 67 5.655 -6.959 5.431 1.00 0.00 C ATOM 842 O ARG A 67 4.827 -7.180 6.292 1.00 0.00 O ATOM 843 CB ARG A 67 5.997 -4.476 5.239 1.00 0.00 C ATOM 844 CG ARG A 67 6.987 -3.338 5.495 1.00 0.00 C ATOM 845 CD ARG A 67 7.049 -3.040 6.995 1.00 0.00 C ATOM 846 NE ARG A 67 7.624 -1.669 7.090 1.00 0.00 N ATOM 847 CZ ARG A 67 8.608 -1.428 7.911 1.00 0.00 C ATOM 848 NH1 ARG A 67 9.530 -2.331 8.109 1.00 0.00 N ATOM 849 NH2 ARG A 67 8.672 -0.284 8.535 1.00 0.00 N ATOM 0 H ARG A 67 7.746 -5.269 3.816 1.00 0.00 H new ATOM 0 HA ARG A 67 7.031 -5.835 6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.676 -4.465 4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.104 -4.340 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.976 -3.613 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.680 -2.446 4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.059 -3.085 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.672 -3.767 7.517 1.00 0.00 H new ATOM 0 HE ARG A 67 7.247 -0.918 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.481 -3.226 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.299 -2.142 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.952 0.422 8.381 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.442 -0.096 9.177 1.00 0.00 H new ATOM 861 N ILE A 68 5.726 -7.700 4.359 1.00 0.00 N ATOM 862 CA ILE A 68 4.784 -8.837 4.178 1.00 0.00 C ATOM 863 C ILE A 68 5.479 -10.142 4.562 1.00 0.00 C ATOM 864 O ILE A 68 4.956 -11.220 4.361 1.00 0.00 O ATOM 865 CB ILE A 68 4.420 -8.832 2.687 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.722 -7.513 2.294 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.479 -9.999 2.391 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.027 -6.876 3.505 1.00 0.00 C ATOM 0 H ILE A 68 6.396 -7.566 3.602 1.00 0.00 H new ATOM 0 HA ILE A 68 3.895 -8.746 4.803 1.00 0.00 H new ATOM 0 HB ILE A 68 5.339 -8.929 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.455 -6.818 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.990 -7.705 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.219 -9.997 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.973 -10.938 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.572 -9.896 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.543 -5.948 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.278 -7.564 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.765 -6.663 4.278 1.00 0.00 H new ATOM 880 N HIS A 69 6.660 -10.050 5.112 1.00 0.00 N ATOM 881 CA HIS A 69 7.396 -11.280 5.512 1.00 0.00 C ATOM 882 C HIS A 69 7.511 -12.232 4.326 1.00 0.00 C ATOM 883 O HIS A 69 7.527 -13.437 4.480 1.00 0.00 O ATOM 884 CB HIS A 69 6.560 -11.902 6.630 1.00 0.00 C ATOM 885 CG HIS A 69 7.441 -12.198 7.811 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.365 -11.284 8.293 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.553 -13.304 8.619 1.00 0.00 C ATOM 888 CE1 HIS A 69 8.986 -11.849 9.344 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.529 -13.081 9.585 1.00 0.00 N ATOM 0 H HIS A 69 7.146 -9.174 5.301 1.00 0.00 H new ATOM 0 HA HIS A 69 8.412 -11.065 5.843 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.760 -11.222 6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.087 -12.818 6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.972 -14.209 8.519 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.760 -11.366 9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.831 -13.721 10.320 1.00 0.00 H new ATOM 897 N LEU A 70 7.607 -11.699 3.143 1.00 0.00 N ATOM 898 CA LEU A 70 7.739 -12.575 1.944 1.00 0.00 C ATOM 899 C LEU A 70 9.141 -12.441 1.353 1.00 0.00 C ATOM 900 O LEU A 70 9.786 -11.419 1.481 1.00 0.00 O ATOM 901 CB LEU A 70 6.673 -12.108 0.949 1.00 0.00 C ATOM 902 CG LEU A 70 6.913 -10.649 0.532 1.00 0.00 C ATOM 903 CD1 LEU A 70 8.092 -10.574 -0.439 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.658 -10.114 -0.161 1.00 0.00 C ATOM 0 H LEU A 70 7.600 -10.697 2.952 1.00 0.00 H new ATOM 0 HA LEU A 70 7.596 -13.626 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.687 -12.749 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.684 -12.204 1.398 1.00 0.00 H new ATOM 0 HG LEU A 70 7.136 -10.052 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.257 -9.537 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.988 -10.962 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.872 -11.170 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.821 -9.079 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.445 -10.717 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.813 -10.165 0.526 1.00 0.00 H new ATOM 916 N ARG A 71 9.624 -13.472 0.721 1.00 0.00 N ATOM 917 CA ARG A 71 10.997 -13.406 0.139 1.00 0.00 C ATOM 918 C ARG A 71 11.246 -14.577 -0.820 1.00 0.00 C ATOM 919 O ARG A 71 10.346 -15.313 -1.172 1.00 0.00 O ATOM 920 CB ARG A 71 11.923 -13.505 1.354 1.00 0.00 C ATOM 921 CG ARG A 71 11.970 -14.958 1.840 1.00 0.00 C ATOM 922 CD ARG A 71 12.974 -15.084 2.989 1.00 0.00 C ATOM 923 NE ARG A 71 12.141 -15.179 4.219 1.00 0.00 N ATOM 924 CZ ARG A 71 12.683 -14.995 5.391 1.00 0.00 C ATOM 925 NH1 ARG A 71 13.617 -14.096 5.545 1.00 0.00 N ATOM 926 NH2 ARG A 71 12.292 -15.710 6.411 1.00 0.00 N ATOM 0 H ARG A 71 9.132 -14.355 0.581 1.00 0.00 H new ATOM 0 HA ARG A 71 11.156 -12.498 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.925 -13.165 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.565 -12.854 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.981 -15.273 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.256 -15.617 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.603 -15.966 2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.639 -14.221 3.028 1.00 0.00 H new ATOM 0 HE ARG A 71 11.145 -15.388 4.145 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.923 -13.537 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.041 -13.952 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.562 -16.413 6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.716 -15.566 7.327 1.00 0.00 H new ATOM 938 N ALA A 72 12.477 -14.760 -1.222 1.00 0.00 N ATOM 939 CA ALA A 72 12.819 -15.888 -2.134 1.00 0.00 C ATOM 940 C ALA A 72 11.892 -15.917 -3.351 1.00 0.00 C ATOM 941 O ALA A 72 12.164 -15.299 -4.361 1.00 0.00 O ATOM 942 CB ALA A 72 12.637 -17.148 -1.286 1.00 0.00 C ATOM 0 H ALA A 72 13.265 -14.170 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 72 13.831 -15.797 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.870 -18.027 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.306 -17.108 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.605 -17.208 -0.940 1.00 0.00 H new ATOM 948 N GLU A 73 10.809 -16.641 -3.274 1.00 0.00 N ATOM 949 CA GLU A 73 9.886 -16.715 -4.443 1.00 0.00 C ATOM 950 C GLU A 73 8.427 -16.733 -3.985 1.00 0.00 C ATOM 951 O GLU A 73 7.643 -17.556 -4.415 1.00 0.00 O ATOM 952 CB GLU A 73 10.237 -18.029 -5.141 1.00 0.00 C ATOM 953 CG GLU A 73 11.608 -17.902 -5.805 1.00 0.00 C ATOM 954 CD GLU A 73 12.253 -19.284 -5.915 1.00 0.00 C ATOM 955 OE1 GLU A 73 12.529 -19.872 -4.882 1.00 0.00 O ATOM 956 OE2 GLU A 73 12.461 -19.733 -7.030 1.00 0.00 O ATOM 0 H GLU A 73 10.524 -17.182 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 73 9.997 -15.853 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.245 -18.846 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.480 -18.270 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.504 -17.458 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.246 -17.237 -5.222 1.00 0.00 H new ATOM 963 N ASP A 74 8.054 -15.831 -3.125 1.00 0.00 N ATOM 964 CA ASP A 74 6.641 -15.802 -2.655 1.00 0.00 C ATOM 965 C ASP A 74 5.753 -15.166 -3.715 1.00 0.00 C ATOM 966 O ASP A 74 6.206 -14.694 -4.739 1.00 0.00 O ATOM 967 CB ASP A 74 6.661 -14.971 -1.364 1.00 0.00 C ATOM 968 CG ASP A 74 5.366 -14.168 -1.190 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.160 -13.241 -1.956 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.605 -14.494 -0.295 1.00 0.00 O ATOM 0 H ASP A 74 8.662 -15.115 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 74 6.240 -16.799 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.798 -15.631 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.512 -14.291 -1.382 1.00 0.00 H new ATOM 975 N ALA A 75 4.491 -15.156 -3.456 1.00 0.00 N ATOM 976 CA ALA A 75 3.525 -14.555 -4.421 1.00 0.00 C ATOM 977 C ALA A 75 2.800 -13.376 -3.771 1.00 0.00 C ATOM 978 O ALA A 75 2.499 -13.394 -2.595 1.00 0.00 O ATOM 979 CB ALA A 75 2.539 -15.675 -4.751 1.00 0.00 C ATOM 0 H ALA A 75 4.071 -15.540 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 75 4.018 -14.174 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.795 -15.308 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.076 -16.514 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.042 -16.003 -3.838 1.00 0.00 H new ATOM 985 N LEU A 76 2.518 -12.350 -4.526 1.00 0.00 N ATOM 986 CA LEU A 76 1.812 -11.175 -3.941 1.00 0.00 C ATOM 987 C LEU A 76 1.240 -10.286 -5.045 1.00 0.00 C ATOM 988 O LEU A 76 1.731 -10.252 -6.156 1.00 0.00 O ATOM 989 CB LEU A 76 2.880 -10.422 -3.152 1.00 0.00 C ATOM 990 CG LEU A 76 2.323 -9.076 -2.686 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.379 -9.298 -1.503 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.478 -8.171 -2.250 1.00 0.00 C ATOM 0 H LEU A 76 2.744 -12.274 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 76 0.973 -11.476 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.195 -11.013 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.762 -10.266 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 76 1.778 -8.605 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.981 -8.339 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.557 -9.945 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.925 -9.768 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.083 -7.211 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.021 -8.643 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.154 -8.013 -3.090 1.00 0.00 H new ATOM 1004 N PHE A 77 0.201 -9.566 -4.736 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.429 -8.666 -5.740 1.00 0.00 C ATOM 1006 C PHE A 77 -1.217 -7.570 -5.019 1.00 0.00 C ATOM 1007 O PHE A 77 -2.087 -7.852 -4.215 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.379 -9.561 -6.532 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.627 -10.751 -7.074 1.00 0.00 C ATOM 1010 CD1 PHE A 77 0.159 -10.618 -8.225 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.716 -11.988 -6.424 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.858 -11.723 -8.727 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.016 -13.092 -6.926 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.770 -12.960 -8.077 1.00 0.00 C ATOM 0 H PHE A 77 -0.245 -9.562 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 77 0.304 -8.179 -6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.196 -9.896 -5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.826 -8.998 -7.351 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.226 -9.663 -8.726 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.324 -12.090 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.464 -11.621 -9.615 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.083 -14.046 -6.425 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.309 -13.813 -8.464 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.915 -6.325 -5.275 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.644 -5.236 -4.582 1.00 0.00 C ATOM 1026 C PHE A 78 -2.952 -4.885 -5.289 1.00 0.00 C ATOM 1027 O PHE A 78 -2.999 -4.671 -6.484 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.697 -4.051 -4.642 1.00 0.00 C ATOM 1029 CG PHE A 78 0.523 -4.316 -3.796 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.586 -5.425 -2.940 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.584 -3.429 -3.863 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.723 -5.632 -2.150 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.722 -3.630 -3.079 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.791 -4.731 -2.218 1.00 0.00 C ATOM 0 H PHE A 78 -0.197 -6.021 -5.932 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.916 -5.525 -3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.400 -3.866 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.204 -3.153 -4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.241 -6.118 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.531 -2.577 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.776 -6.485 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.548 -2.937 -3.137 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.668 -4.885 -1.607 1.00 0.00 H new ATOM 1044 N PHE A 79 -4.006 -4.787 -4.533 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.325 -4.410 -5.103 1.00 0.00 C ATOM 1046 C PHE A 79 -5.802 -3.132 -4.419 1.00 0.00 C ATOM 1047 O PHE A 79 -5.999 -3.094 -3.220 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.261 -5.560 -4.766 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.622 -6.872 -5.157 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.542 -7.234 -6.507 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.114 -7.726 -4.172 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -4.953 -8.450 -6.871 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.525 -8.942 -4.536 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.445 -9.304 -5.886 1.00 0.00 C ATOM 0 H PHE A 79 -4.009 -4.955 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.284 -4.234 -6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.485 -5.558 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.208 -5.436 -5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.935 -6.575 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.176 -7.447 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.891 -8.729 -7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.132 -9.601 -3.776 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.991 -10.243 -6.167 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.979 -2.088 -5.162 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.436 -0.808 -4.546 1.00 0.00 C ATOM 1066 C VAL A 80 -7.759 -0.367 -5.172 1.00 0.00 C ATOM 1067 O VAL A 80 -7.903 -0.331 -6.378 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.328 0.211 -4.840 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.380 1.325 -3.794 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.955 -0.468 -4.775 1.00 0.00 C ATOM 0 H VAL A 80 -5.829 -2.057 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.608 -0.908 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.479 0.623 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.594 2.053 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.351 1.818 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.232 0.899 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.176 0.265 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.802 -0.885 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.909 -1.268 -5.514 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.727 -0.032 -4.366 1.00 0.00 N ATOM 1081 CA ASN A 81 -10.039 0.402 -4.923 1.00 0.00 C ATOM 1082 C ASN A 81 -10.542 -0.626 -5.941 1.00 0.00 C ATOM 1083 O ASN A 81 -11.169 -0.288 -6.925 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.755 1.741 -5.606 1.00 0.00 C ATOM 1085 CG ASN A 81 -11.062 2.340 -6.127 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -12.025 2.455 -5.396 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.137 2.730 -7.370 1.00 0.00 N ATOM 0 H ASN A 81 -8.667 -0.040 -3.348 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.807 0.493 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.284 2.427 -4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.055 1.599 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.004 3.131 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.329 2.634 -7.984 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.268 -1.883 -5.711 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.727 -2.938 -6.663 1.00 0.00 C ATOM 1096 C ASN A 82 -9.986 -2.806 -7.996 1.00 0.00 C ATOM 1097 O ASN A 82 -10.543 -3.038 -9.051 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.222 -2.680 -6.851 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.923 -3.985 -7.229 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.996 -4.334 -8.391 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.443 -4.728 -6.291 1.00 0.00 N ATOM 0 H ASN A 82 -9.746 -2.225 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.532 -3.944 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.650 -2.278 -5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.378 -1.933 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.911 -5.602 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.382 -4.435 -5.316 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.737 -2.436 -7.957 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.960 -2.288 -9.225 1.00 0.00 C ATOM 1110 C VAL A 83 -6.572 -2.918 -9.068 1.00 0.00 C ATOM 1111 O VAL A 83 -6.151 -3.241 -7.975 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.844 -0.776 -9.452 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.537 -0.500 -10.925 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -9.165 -0.094 -9.080 1.00 0.00 C ATOM 0 H VAL A 83 -8.218 -2.229 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.443 -2.786 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.041 -0.383 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.455 0.575 -11.084 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.597 -0.980 -11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.340 -0.898 -11.545 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.078 0.980 -9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.967 -0.492 -9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.390 -0.285 -8.031 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.855 -3.076 -10.152 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.491 -3.682 -10.085 1.00 0.00 C ATOM 1126 C ILE A 84 -3.653 -3.199 -11.273 1.00 0.00 C ATOM 1127 O ILE A 84 -3.366 -3.954 -12.181 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.693 -5.200 -10.213 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.928 -5.664 -9.433 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.460 -5.921 -9.668 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.190 -5.381 -10.250 1.00 0.00 C ATOM 0 H ILE A 84 -6.159 -2.809 -11.088 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.982 -3.409 -9.161 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.840 -5.437 -11.267 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.854 -6.730 -9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.980 -5.147 -8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.600 -6.998 -9.757 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.581 -5.621 -10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.319 -5.659 -8.619 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.066 -5.712 -9.693 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.266 -4.311 -10.443 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.138 -5.918 -11.197 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.292 -1.946 -11.221 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.480 -1.337 -12.303 1.00 0.00 C ATOM 1145 C PRO A 85 -1.025 -1.814 -12.222 1.00 0.00 C ATOM 1146 O PRO A 85 -0.599 -2.347 -11.217 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.577 0.159 -12.023 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.869 0.265 -10.559 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.608 -0.987 -10.158 1.00 0.00 C ATOM 0 HA PRO A 85 -2.829 -1.605 -13.300 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.648 0.668 -12.277 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.366 0.621 -12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.945 0.365 -9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.470 1.150 -10.350 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.279 -1.349 -9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.681 -0.811 -10.087 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.311 -1.598 -13.295 1.00 0.00 N ATOM 1158 CA PRO A 86 1.117 -2.003 -13.362 1.00 0.00 C ATOM 1159 C PRO A 86 1.980 -1.076 -12.506 1.00 0.00 C ATOM 1160 O PRO A 86 1.490 -0.168 -11.865 1.00 0.00 O ATOM 1161 CB PRO A 86 1.460 -1.854 -14.842 1.00 0.00 C ATOM 1162 CG PRO A 86 0.489 -0.844 -15.366 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.764 -0.961 -14.536 1.00 0.00 C ATOM 0 HA PRO A 86 1.294 -3.011 -12.986 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.489 -1.519 -14.977 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.363 -2.804 -15.367 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.904 0.161 -15.297 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.272 -1.028 -16.418 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.208 0.016 -14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.521 -1.562 -15.039 1.00 0.00 H new ATOM 1171 N THR A 87 3.265 -1.299 -12.493 1.00 0.00 N ATOM 1172 CA THR A 87 4.168 -0.431 -11.677 1.00 0.00 C ATOM 1173 C THR A 87 4.583 0.811 -12.468 1.00 0.00 C ATOM 1174 O THR A 87 5.591 1.431 -12.193 1.00 0.00 O ATOM 1175 CB THR A 87 5.394 -1.287 -11.371 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.618 -2.199 -12.439 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.174 -2.060 -10.071 1.00 0.00 C ATOM 0 H THR A 87 3.731 -2.044 -13.011 1.00 0.00 H new ATOM 0 HA THR A 87 3.673 -0.084 -10.770 1.00 0.00 H new ATOM 0 HB THR A 87 6.265 -0.641 -11.260 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.185 -3.054 -12.235 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.052 -2.669 -9.857 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.012 -1.358 -9.253 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.301 -2.705 -10.174 1.00 0.00 H new ATOM 1185 N SER A 88 3.808 1.179 -13.442 1.00 0.00 N ATOM 1186 CA SER A 88 4.138 2.383 -14.257 1.00 0.00 C ATOM 1187 C SER A 88 3.352 3.585 -13.735 1.00 0.00 C ATOM 1188 O SER A 88 2.800 4.360 -14.489 1.00 0.00 O ATOM 1189 CB SER A 88 3.706 2.032 -15.681 1.00 0.00 C ATOM 1190 OG SER A 88 4.697 2.478 -16.596 1.00 0.00 O ATOM 0 H SER A 88 2.952 0.696 -13.714 1.00 0.00 H new ATOM 0 HA SER A 88 5.196 2.643 -14.212 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.566 0.955 -15.776 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.748 2.500 -15.908 1.00 0.00 H new ATOM 0 HG SER A 88 4.424 2.253 -17.510 1.00 0.00 H new ATOM 1196 N ALA A 89 3.295 3.736 -12.441 1.00 0.00 N ATOM 1197 CA ALA A 89 2.541 4.877 -11.847 1.00 0.00 C ATOM 1198 C ALA A 89 3.236 5.369 -10.583 1.00 0.00 C ATOM 1199 O ALA A 89 4.337 4.966 -10.261 1.00 0.00 O ATOM 1200 CB ALA A 89 1.166 4.302 -11.509 1.00 0.00 C ATOM 0 H ALA A 89 3.740 3.115 -11.765 1.00 0.00 H new ATOM 0 HA ALA A 89 2.477 5.728 -12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.545 5.080 -11.065 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.692 3.934 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.279 3.481 -10.801 1.00 0.00 H new ATOM 1206 N THR A 90 2.598 6.245 -9.871 1.00 0.00 N ATOM 1207 CA THR A 90 3.208 6.783 -8.620 1.00 0.00 C ATOM 1208 C THR A 90 2.145 6.903 -7.526 1.00 0.00 C ATOM 1209 O THR A 90 1.038 7.347 -7.761 1.00 0.00 O ATOM 1210 CB THR A 90 3.743 8.165 -9.003 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.676 8.965 -9.493 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.814 8.020 -10.085 1.00 0.00 C ATOM 0 H THR A 90 1.676 6.617 -10.098 1.00 0.00 H new ATOM 0 HA THR A 90 3.994 6.136 -8.231 1.00 0.00 H new ATOM 0 HB THR A 90 4.181 8.641 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.017 9.851 -9.737 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.193 9.005 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.633 7.407 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.381 7.544 -10.964 1.00 0.00 H new ATOM 1220 N MET A 91 2.472 6.503 -6.330 1.00 0.00 N ATOM 1221 CA MET A 91 1.475 6.586 -5.224 1.00 0.00 C ATOM 1222 C MET A 91 0.832 7.973 -5.206 1.00 0.00 C ATOM 1223 O MET A 91 -0.351 8.119 -4.965 1.00 0.00 O ATOM 1224 CB MET A 91 2.266 6.341 -3.936 1.00 0.00 C ATOM 1225 CG MET A 91 2.681 4.870 -3.861 1.00 0.00 C ATOM 1226 SD MET A 91 1.394 3.923 -3.010 1.00 0.00 S ATOM 1227 CE MET A 91 1.973 4.220 -1.322 1.00 0.00 C ATOM 0 H MET A 91 3.382 6.123 -6.069 1.00 0.00 H new ATOM 0 HA MET A 91 0.671 5.859 -5.341 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.149 6.980 -3.912 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.659 6.603 -3.069 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.836 4.473 -4.864 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.628 4.775 -3.330 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.490 3.518 -0.643 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.053 4.082 -1.278 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.725 5.239 -1.026 1.00 0.00 H new ATOM 1237 N GLY A 92 1.603 8.991 -5.459 1.00 0.00 N ATOM 1238 CA GLY A 92 1.041 10.370 -5.458 1.00 0.00 C ATOM 1239 C GLY A 92 -0.196 10.428 -6.350 1.00 0.00 C ATOM 1240 O GLY A 92 -1.230 10.933 -5.962 1.00 0.00 O ATOM 0 H GLY A 92 2.600 8.929 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.781 10.665 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.790 11.077 -5.814 1.00 0.00 H new ATOM 1244 N GLN A 93 -0.098 9.920 -7.544 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.272 9.955 -8.460 1.00 0.00 C ATOM 1246 C GLN A 93 -2.405 9.099 -7.885 1.00 0.00 C ATOM 1247 O GLN A 93 -3.569 9.371 -8.100 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.756 9.401 -9.800 1.00 0.00 C ATOM 1249 CG GLN A 93 -1.044 7.898 -9.919 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.551 7.388 -11.274 1.00 0.00 C ATOM 1251 OE1 GLN A 93 0.419 7.889 -11.809 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -1.183 6.405 -11.855 1.00 0.00 N ATOM 0 H GLN A 93 0.741 9.483 -7.926 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.680 10.958 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.231 9.933 -10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.316 9.577 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.548 7.357 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.113 7.713 -9.816 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.997 5.985 -11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.863 6.056 -12.759 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.075 8.070 -7.153 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.140 7.210 -6.570 1.00 0.00 C ATOM 1263 C LEU A 94 -3.906 7.979 -5.495 1.00 0.00 C ATOM 1264 O LEU A 94 -5.033 7.669 -5.181 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.399 6.003 -5.983 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.255 6.126 -4.462 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.537 5.637 -3.791 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.077 5.273 -3.996 1.00 0.00 C ATOM 0 H LEU A 94 -1.119 7.790 -6.935 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.880 6.898 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.939 5.088 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.412 5.922 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.079 7.167 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.437 5.723 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.378 6.243 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.712 4.595 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.972 5.358 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.254 4.231 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.163 5.620 -4.478 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.303 8.973 -4.916 1.00 0.00 N ATOM 1281 CA TYR A 95 -4.019 9.731 -3.861 1.00 0.00 C ATOM 1282 C TYR A 95 -5.418 10.111 -4.355 1.00 0.00 C ATOM 1283 O TYR A 95 -6.406 9.835 -3.710 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.167 10.977 -3.615 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.195 11.308 -2.145 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.867 10.323 -1.209 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.555 12.591 -1.717 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.897 10.618 0.158 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.584 12.889 -0.349 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.255 11.902 0.589 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.286 12.195 1.938 1.00 0.00 O ATOM 0 H TYR A 95 -2.356 9.291 -5.124 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.151 9.153 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.142 10.803 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.549 11.816 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.590 9.333 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.810 13.351 -2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.644 9.856 0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.860 13.879 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.139 12.623 2.160 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.509 10.736 -5.496 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.847 11.127 -6.032 1.00 0.00 C ATOM 1303 C GLN A 96 -7.655 9.893 -6.463 1.00 0.00 C ATOM 1304 O GLN A 96 -8.864 9.947 -6.583 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.541 12.011 -7.241 1.00 0.00 C ATOM 1306 CG GLN A 96 -6.343 13.457 -6.780 1.00 0.00 C ATOM 1307 CD GLN A 96 -5.890 14.313 -7.963 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -6.686 14.666 -8.812 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -4.638 14.665 -8.058 1.00 0.00 N ATOM 0 H GLN A 96 -4.715 10.994 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.448 11.640 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.645 11.654 -7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.358 11.956 -7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.273 13.849 -6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.600 13.497 -5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.970 14.369 -7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.327 15.236 -8.844 1.00 0.00 H new ATOM 1318 N GLU A 97 -7.002 8.792 -6.727 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.742 7.573 -7.185 1.00 0.00 C ATOM 1320 C GLU A 97 -8.272 6.744 -6.005 1.00 0.00 C ATOM 1321 O GLU A 97 -9.466 6.617 -5.819 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.718 6.766 -7.986 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.896 7.057 -9.479 1.00 0.00 C ATOM 1324 CD GLU A 97 -8.114 6.295 -10.006 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -8.078 5.076 -9.988 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -9.060 6.944 -10.418 1.00 0.00 O ATOM 0 H GLU A 97 -5.991 8.681 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.618 7.844 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.707 7.026 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.847 5.701 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.026 8.127 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.002 6.759 -10.027 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.404 6.155 -5.224 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.867 5.316 -4.091 1.00 0.00 C ATOM 1335 C HIS A 98 -7.819 6.101 -2.780 1.00 0.00 C ATOM 1336 O HIS A 98 -7.421 5.592 -1.746 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.864 4.172 -4.070 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.772 3.570 -5.442 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.837 3.579 -6.329 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.747 2.938 -6.091 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.428 2.968 -7.457 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -6.161 2.557 -7.364 1.00 0.00 N ATOM 0 H HIS A 98 -6.391 6.222 -5.327 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.898 4.980 -4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.886 4.536 -3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.172 3.416 -3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.765 2.761 -5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.048 2.828 -8.330 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.614 2.069 -8.073 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.238 7.335 -2.817 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.236 8.163 -1.569 1.00 0.00 C ATOM 1352 C HIS A 99 -9.329 7.671 -0.617 1.00 0.00 C ATOM 1353 O HIS A 99 -9.411 8.091 0.520 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.534 9.608 -1.999 1.00 0.00 C ATOM 1355 CG HIS A 99 -7.631 10.547 -1.257 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -7.588 10.600 0.127 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -6.730 11.478 -1.698 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -6.685 11.539 0.467 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -6.132 12.105 -0.609 1.00 0.00 N ATOM 0 H HIS A 99 -8.582 7.809 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.279 8.094 -1.052 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.386 9.717 -3.073 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -9.577 9.852 -1.795 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.139 10.032 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.516 11.693 -2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.438 11.802 1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.424 12.839 -0.628 1.00 0.00 H new ATOM 1367 N GLU A 100 -10.172 6.788 -1.076 1.00 0.00 N ATOM 1368 CA GLU A 100 -11.266 6.277 -0.195 1.00 0.00 C ATOM 1369 C GLU A 100 -11.916 7.443 0.553 1.00 0.00 C ATOM 1370 O GLU A 100 -11.752 7.594 1.747 1.00 0.00 O ATOM 1371 CB GLU A 100 -10.575 5.328 0.785 1.00 0.00 C ATOM 1372 CG GLU A 100 -11.344 4.007 0.844 1.00 0.00 C ATOM 1373 CD GLU A 100 -12.777 4.270 1.312 1.00 0.00 C ATOM 1374 OE1 GLU A 100 -13.382 5.202 0.810 1.00 0.00 O ATOM 1375 OE2 GLU A 100 -13.244 3.534 2.166 1.00 0.00 O ATOM 0 H GLU A 100 -10.153 6.398 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.054 5.775 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.547 5.149 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.531 5.780 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.352 3.535 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.849 3.316 1.526 1.00 0.00 H new ATOM 1382 N GLU A 101 -12.643 8.274 -0.146 1.00 0.00 N ATOM 1383 CA GLU A 101 -13.299 9.438 0.517 1.00 0.00 C ATOM 1384 C GLU A 101 -12.245 10.305 1.210 1.00 0.00 C ATOM 1385 O GLU A 101 -11.177 9.840 1.555 1.00 0.00 O ATOM 1386 CB GLU A 101 -14.260 8.829 1.542 1.00 0.00 C ATOM 1387 CG GLU A 101 -15.524 8.346 0.830 1.00 0.00 C ATOM 1388 CD GLU A 101 -16.715 8.436 1.786 1.00 0.00 C ATOM 1389 OE1 GLU A 101 -16.728 9.344 2.600 1.00 0.00 O ATOM 1390 OE2 GLU A 101 -17.594 7.595 1.686 1.00 0.00 O ATOM 0 H GLU A 101 -12.811 8.196 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.823 10.078 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.780 7.997 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.517 9.569 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.709 8.953 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.393 7.318 0.491 1.00 0.00 H new ATOM 1397 N ASP A 102 -12.532 11.563 1.412 1.00 0.00 N ATOM 1398 CA ASP A 102 -11.538 12.455 2.080 1.00 0.00 C ATOM 1399 C ASP A 102 -10.953 11.759 3.312 1.00 0.00 C ATOM 1400 O ASP A 102 -11.497 11.834 4.396 1.00 0.00 O ATOM 1401 CB ASP A 102 -12.331 13.698 2.488 1.00 0.00 C ATOM 1402 CG ASP A 102 -13.661 13.276 3.113 1.00 0.00 C ATOM 1403 OD1 ASP A 102 -13.757 12.136 3.538 1.00 0.00 O ATOM 1404 OD2 ASP A 102 -14.561 14.098 3.156 1.00 0.00 O ATOM 0 H ASP A 102 -13.408 12.011 1.145 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.701 12.705 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.756 14.292 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.511 14.329 1.618 1.00 0.00 H new ATOM 1409 N PHE A 103 -9.852 11.076 3.152 1.00 0.00 N ATOM 1410 CA PHE A 103 -9.236 10.370 4.311 1.00 0.00 C ATOM 1411 C PHE A 103 -8.085 9.473 3.833 1.00 0.00 C ATOM 1412 O PHE A 103 -8.279 8.303 3.572 1.00 0.00 O ATOM 1413 CB PHE A 103 -10.363 9.517 4.895 1.00 0.00 C ATOM 1414 CG PHE A 103 -10.827 10.120 6.200 1.00 0.00 C ATOM 1415 CD1 PHE A 103 -9.888 10.581 7.131 1.00 0.00 C ATOM 1416 CD2 PHE A 103 -12.195 10.218 6.478 1.00 0.00 C ATOM 1417 CE1 PHE A 103 -10.318 11.138 8.340 1.00 0.00 C ATOM 1418 CE2 PHE A 103 -12.624 10.775 7.688 1.00 0.00 C ATOM 1419 CZ PHE A 103 -11.686 11.236 8.619 1.00 0.00 C ATOM 0 H PHE A 103 -9.353 10.977 2.268 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.821 11.062 5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -11.194 9.462 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -10.015 8.497 5.057 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.832 10.507 6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -12.919 9.864 5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.594 11.493 9.059 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -13.680 10.849 7.904 1.00 0.00 H new ATOM 0 HZ PHE A 103 -12.018 11.667 9.552 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.893 10.013 3.722 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.717 9.185 3.259 1.00 0.00 C ATOM 1431 C PHE A 104 -6.143 8.193 2.170 1.00 0.00 C ATOM 1432 O PHE A 104 -7.179 8.338 1.553 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.236 8.439 4.510 1.00 0.00 C ATOM 1434 CG PHE A 104 -6.379 7.674 5.133 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -6.706 6.396 4.662 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -7.114 8.244 6.180 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -7.766 5.688 5.240 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -8.174 7.534 6.757 1.00 0.00 C ATOM 1439 CZ PHE A 104 -8.500 6.257 6.287 1.00 0.00 C ATOM 0 H PHE A 104 -6.678 10.988 3.930 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.932 9.804 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.431 7.753 4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.828 9.148 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.140 5.957 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.863 9.230 6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.018 4.702 4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.740 7.972 7.565 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.318 5.710 6.732 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.342 7.191 1.920 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.706 6.197 0.865 1.00 0.00 C ATOM 1451 C LEU A 105 -5.729 4.784 1.468 1.00 0.00 C ATOM 1452 O LEU A 105 -5.160 4.544 2.513 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.623 6.358 -0.220 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.634 5.186 -0.198 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.193 4.034 -1.036 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.298 5.641 -0.785 1.00 0.00 C ATOM 0 H LEU A 105 -4.457 7.017 2.396 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.699 6.357 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.094 6.421 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.085 7.293 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.486 4.851 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.491 3.200 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.148 3.712 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.338 4.368 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.593 4.810 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.446 5.974 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.901 6.464 -0.191 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.389 3.853 0.831 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.444 2.469 1.396 1.00 0.00 C ATOM 1470 C TYR A 106 -5.951 1.435 0.370 1.00 0.00 C ATOM 1471 O TYR A 106 -6.310 1.477 -0.790 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.927 2.258 1.741 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.294 0.794 1.641 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.471 0.207 0.384 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -8.456 0.028 2.802 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.811 -1.148 0.285 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -8.795 -1.326 2.704 1.00 0.00 C ATOM 1478 CZ TYR A 106 -8.973 -1.915 1.445 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.307 -3.250 1.350 1.00 0.00 O ATOM 0 H TYR A 106 -6.889 3.987 -0.048 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.800 2.346 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.126 2.620 2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.550 2.842 1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.345 0.799 -0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.319 0.482 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.948 -1.601 -0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.920 -1.917 3.599 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.379 -3.634 2.249 1.00 0.00 H new ATOM 1489 N ILE A 107 -5.136 0.499 0.798 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.630 -0.544 -0.143 1.00 0.00 C ATOM 1491 C ILE A 107 -4.560 -1.907 0.560 1.00 0.00 C ATOM 1492 O ILE A 107 -4.124 -2.008 1.688 1.00 0.00 O ATOM 1493 CB ILE A 107 -3.222 -0.089 -0.533 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -3.228 1.412 -0.824 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.771 -0.845 -1.784 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.882 1.820 -1.423 1.00 0.00 C ATOM 0 H ILE A 107 -4.801 0.415 1.758 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.282 -0.656 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.536 -0.296 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.035 1.656 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.414 1.970 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.768 -0.522 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.763 -1.916 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.460 -0.637 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.886 2.890 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.085 1.590 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.715 1.271 -2.350 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.970 -2.954 -0.103 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.908 -4.310 0.521 1.00 0.00 C ATOM 1510 C ALA A 108 -4.156 -5.252 -0.418 1.00 0.00 C ATOM 1511 O ALA A 108 -4.226 -5.107 -1.615 1.00 0.00 O ATOM 1512 CB ALA A 108 -6.364 -4.747 0.676 1.00 0.00 C ATOM 0 H ALA A 108 -5.346 -2.931 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.390 -4.315 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.400 -5.738 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.891 -4.037 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.841 -4.779 -0.304 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.430 -6.211 0.092 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.691 -7.120 -0.832 1.00 0.00 C ATOM 1520 C TYR A 109 -2.927 -8.586 -0.486 1.00 0.00 C ATOM 1521 O TYR A 109 -3.424 -8.922 0.572 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.208 -6.768 -0.682 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.858 -6.515 0.768 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.281 -5.340 1.397 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.091 -7.450 1.478 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.941 -5.100 2.733 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.246 -7.208 2.814 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.179 -6.033 3.442 1.00 0.00 C ATOM 1529 OH TYR A 109 0.156 -5.793 4.759 1.00 0.00 O ATOM 0 H TYR A 109 -3.317 -6.402 1.088 1.00 0.00 H new ATOM 0 HA TYR A 109 -3.037 -6.987 -1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.596 -7.581 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.978 -5.883 -1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.870 -4.618 0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.239 -8.357 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.268 -4.192 3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.835 -7.929 3.361 1.00 0.00 H new ATOM 0 HH TYR A 109 1.076 -5.460 4.807 1.00 0.00 H new ATOM 1539 N SER A 110 -2.571 -9.458 -1.385 1.00 0.00 N ATOM 1540 CA SER A 110 -2.768 -10.916 -1.140 1.00 0.00 C ATOM 1541 C SER A 110 -1.791 -11.735 -1.989 1.00 0.00 C ATOM 1542 O SER A 110 -1.066 -11.203 -2.804 1.00 0.00 O ATOM 1543 CB SER A 110 -4.207 -11.195 -1.570 1.00 0.00 C ATOM 1544 OG SER A 110 -4.833 -12.033 -0.606 1.00 0.00 O ATOM 0 H SER A 110 -2.150 -9.224 -2.284 1.00 0.00 H new ATOM 0 HA SER A 110 -2.589 -11.187 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.757 -10.259 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.219 -11.675 -2.549 1.00 0.00 H new ATOM 0 HG SER A 110 -5.512 -12.587 -1.045 1.00 0.00 H new ATOM 1550 N ASP A 111 -1.769 -13.027 -1.807 1.00 0.00 N ATOM 1551 CA ASP A 111 -0.842 -13.877 -2.607 1.00 0.00 C ATOM 1552 C ASP A 111 -1.628 -14.691 -3.639 1.00 0.00 C ATOM 1553 O ASP A 111 -1.355 -15.853 -3.865 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.173 -14.803 -1.591 1.00 0.00 C ATOM 1555 CG ASP A 111 -1.242 -15.445 -0.705 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -1.799 -16.450 -1.116 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -1.487 -14.920 0.368 1.00 0.00 O ATOM 0 H ASP A 111 -2.353 -13.531 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.112 -13.284 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.398 -15.575 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.532 -14.240 -0.979 1.00 0.00 H new ATOM 1562 N GLU A 112 -2.601 -14.091 -4.269 1.00 0.00 N ATOM 1563 CA GLU A 112 -3.403 -14.831 -5.286 1.00 0.00 C ATOM 1564 C GLU A 112 -4.597 -13.983 -5.736 1.00 0.00 C ATOM 1565 O GLU A 112 -5.231 -13.316 -4.944 1.00 0.00 O ATOM 1566 CB GLU A 112 -3.882 -16.095 -4.571 1.00 0.00 C ATOM 1567 CG GLU A 112 -3.328 -17.327 -5.290 1.00 0.00 C ATOM 1568 CD GLU A 112 -4.050 -17.504 -6.627 1.00 0.00 C ATOM 1569 OE1 GLU A 112 -3.866 -16.666 -7.493 1.00 0.00 O ATOM 1570 OE2 GLU A 112 -4.775 -18.476 -6.762 1.00 0.00 O ATOM 0 H GLU A 112 -2.876 -13.120 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.824 -15.064 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.550 -16.087 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.971 -16.128 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.257 -17.214 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.463 -18.214 -4.671 1.00 0.00 H new ATOM 1577 N SER A 113 -4.907 -14.002 -7.005 1.00 0.00 N ATOM 1578 CA SER A 113 -6.056 -13.193 -7.503 1.00 0.00 C ATOM 1579 C SER A 113 -7.245 -14.099 -7.837 1.00 0.00 C ATOM 1580 O SER A 113 -8.325 -13.634 -8.140 1.00 0.00 O ATOM 1581 CB SER A 113 -5.538 -12.504 -8.764 1.00 0.00 C ATOM 1582 OG SER A 113 -6.341 -11.364 -9.040 1.00 0.00 O ATOM 0 H SER A 113 -4.415 -14.542 -7.717 1.00 0.00 H new ATOM 0 HA SER A 113 -6.406 -12.477 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.498 -12.206 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.565 -13.195 -9.607 1.00 0.00 H new ATOM 0 HG SER A 113 -6.010 -10.919 -9.848 1.00 0.00 H new ATOM 1588 N VAL A 114 -7.057 -15.390 -7.785 1.00 0.00 N ATOM 1589 CA VAL A 114 -8.180 -16.319 -8.102 1.00 0.00 C ATOM 1590 C VAL A 114 -8.327 -17.371 -7.000 1.00 0.00 C ATOM 1591 O VAL A 114 -7.543 -17.429 -6.074 1.00 0.00 O ATOM 1592 CB VAL A 114 -7.788 -16.978 -9.424 1.00 0.00 C ATOM 1593 CG1 VAL A 114 -6.628 -17.947 -9.188 1.00 0.00 C ATOM 1594 CG2 VAL A 114 -8.987 -17.748 -9.983 1.00 0.00 C ATOM 0 H VAL A 114 -6.176 -15.841 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 114 -9.136 -15.800 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.482 -16.211 -10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -6.349 -18.417 -10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.774 -17.401 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.934 -18.714 -8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -8.709 -18.219 -10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -9.291 -18.515 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -9.815 -17.060 -10.151 1.00 0.00 H new ATOM 1604 N TYR A 115 -9.331 -18.203 -7.091 1.00 0.00 N ATOM 1605 CA TYR A 115 -9.530 -19.250 -6.048 1.00 0.00 C ATOM 1606 C TYR A 115 -8.221 -20.003 -5.796 1.00 0.00 C ATOM 1607 O TYR A 115 -7.559 -20.445 -6.715 1.00 0.00 O ATOM 1608 CB TYR A 115 -10.586 -20.191 -6.627 1.00 0.00 C ATOM 1609 CG TYR A 115 -10.887 -21.285 -5.630 1.00 0.00 C ATOM 1610 CD1 TYR A 115 -11.644 -21.001 -4.486 1.00 0.00 C ATOM 1611 CD2 TYR A 115 -10.410 -22.583 -5.849 1.00 0.00 C ATOM 1612 CE1 TYR A 115 -11.923 -22.015 -3.562 1.00 0.00 C ATOM 1613 CE2 TYR A 115 -10.689 -23.597 -4.923 1.00 0.00 C ATOM 1614 CZ TYR A 115 -11.446 -23.313 -3.780 1.00 0.00 C ATOM 1615 OH TYR A 115 -11.721 -24.312 -2.869 1.00 0.00 O ATOM 0 H TYR A 115 -10.021 -18.202 -7.842 1.00 0.00 H new ATOM 0 HA TYR A 115 -9.841 -18.826 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -11.495 -19.636 -6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -10.229 -20.624 -7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -12.012 -20.000 -4.317 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.827 -22.803 -6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -12.507 -21.796 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -10.320 -24.598 -5.091 1.00 0.00 H new ATOM 0 HH TYR A 115 -11.317 -25.152 -3.172 1.00 0.00 H new ATOM 1625 N GLY A 116 -7.842 -20.151 -4.557 1.00 0.00 N ATOM 1626 CA GLY A 116 -6.577 -20.876 -4.245 1.00 0.00 C ATOM 1627 C GLY A 116 -6.859 -21.978 -3.223 1.00 0.00 C ATOM 1628 O GLY A 116 -7.995 -22.257 -2.894 1.00 0.00 O ATOM 0 H GLY A 116 -8.353 -19.801 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.159 -21.307 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -5.835 -20.181 -3.851 1.00 0.00 H new ATOM 1632 N LEU A 117 -5.834 -22.608 -2.717 1.00 0.00 N ATOM 1633 CA LEU A 117 -6.047 -23.692 -1.715 1.00 0.00 C ATOM 1634 C LEU A 117 -5.946 -23.129 -0.295 1.00 0.00 C ATOM 1635 O LEU A 117 -6.642 -22.168 -0.010 1.00 0.00 O ATOM 1636 CB LEU A 117 -4.925 -24.698 -1.975 1.00 0.00 C ATOM 1637 CG LEU A 117 -4.847 -25.002 -3.472 1.00 0.00 C ATOM 1638 CD1 LEU A 117 -3.574 -25.799 -3.765 1.00 0.00 C ATOM 1639 CD2 LEU A 117 -6.069 -25.824 -3.887 1.00 0.00 C ATOM 1640 OXT LEU A 117 -5.175 -23.668 0.482 1.00 0.00 O ATOM 0 H LEU A 117 -4.860 -22.420 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.033 -24.149 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.974 -24.296 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.109 -25.616 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.828 -24.068 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.518 -26.016 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.703 -25.216 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.593 -26.734 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -6.016 -26.042 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -6.086 -26.758 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.977 -25.258 -3.677 1.00 0.00 H new TER 1652 LEU A 117