USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1084 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 106 THR OG1 : rot 125:sc= 1.26 USER MOD Set 1.2: A 111 TYR OH : rot 106:sc= 1.02 USER MOD Set 2.1: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 22 TYR OH : rot -15:sc= 0.0723 USER MOD Set 3.2: A 140 ASN :FLIP amide:sc= -0.395 F(o=-2.3!,f=-0.32) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0477 K(o=-0.048,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -62:sc= 1.22 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 59:sc= 0.245 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.184 K(o=0.18,f=-3!) USER MOD Single : A 23 SER OG : rot -23:sc= 0.116 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0397 (180deg=-0.466) USER MOD Single : A 42 THR OG1 : rot -60:sc= 0.096 USER MOD Single : A 44 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= 0.206 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 27:sc= 0.0648 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.1) USER MOD Single : A 79 THR OG1 : rot 158:sc= 0.81 USER MOD Single : A 81 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD Single : A 85 HIS : no HD1:sc= -0.0921 X(o=-0.092,f=-0.56) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.486) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 98:sc= 1.34 USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= -0.0528 (180deg=-0.307) USER MOD Single : A 113 THR OG1 : rot 160:sc= 1.31 USER MOD Single : A 115 CYS SG : rot 130:sc= -1.87! USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.468 K(o=0.47,f=-6.7!) USER MOD Single : A 120 TYR OH : rot 167:sc= -0.108 USER MOD Single : A 121 ASN : amide:sc= 1.82 K(o=1.8,f=-4.5!) USER MOD Single : A 127 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.1) USER MOD Single : A 132 THR OG1 : rot -70:sc= -0.0518 USER MOD Single : A 134 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.08) USER MOD Single : A 137 GLN : amide:sc= 0.161 K(o=0.16,f=-1.1) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.455 5.671 -5.366 1.00 2.43 N ATOM 34 CA GLU A 4 21.080 5.250 -5.159 1.00 12.24 C ATOM 35 C GLU A 4 20.910 4.598 -3.791 1.00 53.31 C ATOM 36 O GLU A 4 21.845 4.036 -3.202 1.00 74.23 O ATOM 37 CB GLU A 4 20.567 4.368 -6.294 1.00 2.20 C ATOM 38 CG GLU A 4 21.281 3.069 -6.405 1.00 15.31 C ATOM 39 CD GLU A 4 20.836 2.215 -7.587 1.00 52.45 C ATOM 40 OE1 GLU A 4 21.291 2.507 -8.718 1.00 0.40 O ATOM 41 OE2 GLU A 4 20.128 1.209 -7.357 1.00 2.42 O ATOM 0 HA GLU A 4 20.457 6.144 -5.173 1.00 12.24 H new ATOM 0 HB2 GLU A 4 19.504 4.178 -6.144 1.00 2.20 H new ATOM 0 HB3 GLU A 4 20.664 4.908 -7.236 1.00 2.20 H new ATOM 0 HG2 GLU A 4 22.351 3.260 -6.491 1.00 15.31 H new ATOM 0 HG3 GLU A 4 21.131 2.504 -5.485 1.00 15.31 H new ATOM 48 N GLU A 5 19.673 4.654 -3.321 1.00 0.44 N ATOM 49 CA GLU A 5 19.220 3.973 -2.121 1.00 73.25 C ATOM 50 C GLU A 5 18.901 2.517 -2.489 1.00 2.12 C ATOM 51 O GLU A 5 18.663 2.173 -3.651 1.00 1.22 O ATOM 52 CB GLU A 5 18.028 4.757 -1.543 1.00 41.32 C ATOM 53 CG GLU A 5 17.339 4.145 -0.316 1.00 73.03 C ATOM 54 CD GLU A 5 18.250 3.905 0.900 1.00 75.12 C ATOM 55 OE1 GLU A 5 18.371 4.830 1.739 1.00 4.50 O ATOM 56 OE2 GLU A 5 18.784 2.789 1.065 1.00 64.22 O ATOM 0 H GLU A 5 18.936 5.191 -3.779 1.00 0.44 H new ATOM 0 HA GLU A 5 19.979 3.939 -1.339 1.00 73.25 H new ATOM 0 HB2 GLU A 5 18.373 5.757 -1.278 1.00 41.32 H new ATOM 0 HB3 GLU A 5 17.283 4.875 -2.330 1.00 41.32 H new ATOM 0 HG2 GLU A 5 16.523 4.801 -0.014 1.00 73.03 H new ATOM 0 HG3 GLU A 5 16.892 3.194 -0.607 1.00 73.03 H new ATOM 63 N ASP A 6 18.919 1.644 -1.492 1.00 53.55 N ATOM 64 CA ASP A 6 18.690 0.214 -1.623 1.00 14.55 C ATOM 65 C ASP A 6 17.205 -0.105 -1.409 1.00 31.15 C ATOM 66 O ASP A 6 16.407 0.773 -1.103 1.00 33.33 O ATOM 67 CB ASP A 6 19.585 -0.488 -0.600 1.00 73.00 C ATOM 68 CG ASP A 6 19.768 -1.959 -0.942 1.00 11.41 C ATOM 69 OD1 ASP A 6 20.673 -2.275 -1.752 1.00 13.41 O ATOM 70 OD2 ASP A 6 18.991 -2.775 -0.409 1.00 4.53 O ATOM 0 H ASP A 6 19.101 1.926 -0.529 1.00 53.55 H new ATOM 0 HA ASP A 6 18.941 -0.139 -2.623 1.00 14.55 H new ATOM 0 HB2 ASP A 6 20.557 0.003 -0.567 1.00 73.00 H new ATOM 0 HB3 ASP A 6 19.147 -0.395 0.394 1.00 73.00 H new ATOM 75 N PHE A 7 16.810 -1.364 -1.529 1.00 31.42 N ATOM 76 CA PHE A 7 15.472 -1.871 -1.252 1.00 31.41 C ATOM 77 C PHE A 7 15.365 -2.413 0.182 1.00 53.14 C ATOM 78 O PHE A 7 14.266 -2.720 0.647 1.00 14.53 O ATOM 79 CB PHE A 7 15.148 -2.973 -2.268 1.00 22.21 C ATOM 80 CG PHE A 7 16.142 -4.119 -2.253 1.00 1.54 C ATOM 81 CD1 PHE A 7 16.080 -5.108 -1.250 1.00 64.10 C ATOM 82 CD2 PHE A 7 17.163 -4.167 -3.220 1.00 34.03 C ATOM 83 CE1 PHE A 7 17.033 -6.139 -1.216 1.00 4.25 C ATOM 84 CE2 PHE A 7 18.114 -5.196 -3.181 1.00 64.40 C ATOM 85 CZ PHE A 7 18.049 -6.184 -2.184 1.00 54.23 C ATOM 0 H PHE A 7 17.447 -2.098 -1.838 1.00 31.42 H new ATOM 0 HA PHE A 7 14.754 -1.056 -1.343 1.00 31.41 H new ATOM 0 HB2 PHE A 7 14.151 -3.364 -2.063 1.00 22.21 H new ATOM 0 HB3 PHE A 7 15.121 -2.539 -3.267 1.00 22.21 H new ATOM 0 HD1 PHE A 7 15.298 -5.073 -0.506 1.00 64.10 H new ATOM 0 HD2 PHE A 7 17.214 -3.412 -3.991 1.00 34.03 H new ATOM 0 HE1 PHE A 7 16.984 -6.896 -0.447 1.00 4.25 H new ATOM 0 HE2 PHE A 7 18.900 -5.230 -3.921 1.00 64.40 H new ATOM 0 HZ PHE A 7 18.781 -6.978 -2.162 1.00 54.23 H new ATOM 95 N LYS A 8 16.479 -2.555 0.903 1.00 5.34 N ATOM 96 CA LYS A 8 16.517 -3.123 2.245 1.00 70.24 C ATOM 97 C LYS A 8 16.561 -2.010 3.281 1.00 5.11 C ATOM 98 O LYS A 8 15.602 -1.860 4.037 1.00 22.14 O ATOM 99 CB LYS A 8 17.690 -4.107 2.301 1.00 71.24 C ATOM 100 CG LYS A 8 17.845 -4.750 3.680 1.00 52.31 C ATOM 101 CD LYS A 8 18.839 -5.925 3.631 1.00 41.41 C ATOM 102 CE LYS A 8 20.248 -5.344 3.592 1.00 44.23 C ATOM 103 NZ LYS A 8 21.288 -6.212 3.027 1.00 12.45 N ATOM 0 H LYS A 8 17.397 -2.271 0.560 1.00 5.34 H new ATOM 0 HA LYS A 8 15.614 -3.686 2.483 1.00 70.24 H new ATOM 0 HB2 LYS A 8 17.543 -4.887 1.554 1.00 71.24 H new ATOM 0 HB3 LYS A 8 18.611 -3.586 2.040 1.00 71.24 H new ATOM 0 HG2 LYS A 8 18.192 -4.005 4.396 1.00 52.31 H new ATOM 0 HG3 LYS A 8 16.876 -5.103 4.032 1.00 52.31 H new ATOM 0 HD2 LYS A 8 18.715 -6.567 4.503 1.00 41.41 H new ATOM 0 HD3 LYS A 8 18.656 -6.543 2.752 1.00 41.41 H new ATOM 0 HE2 LYS A 8 20.222 -4.419 3.016 1.00 44.23 H new ATOM 0 HE3 LYS A 8 20.538 -5.078 4.609 1.00 44.23 H new ATOM 0 HZ1 LYS A 8 22.203 -5.718 3.050 1.00 12.45 H new ATOM 0 HZ2 LYS A 8 21.352 -7.086 3.587 1.00 12.45 H new ATOM 0 HZ3 LYS A 8 21.047 -6.448 2.043 1.00 12.45 H new ATOM 117 N THR A 9 17.620 -1.201 3.303 1.00 52.34 N ATOM 118 CA THR A 9 17.729 -0.053 4.201 1.00 52.31 C ATOM 119 C THR A 9 16.523 0.880 4.080 1.00 60.31 C ATOM 120 O THR A 9 16.020 1.347 5.103 1.00 43.42 O ATOM 121 CB THR A 9 19.044 0.674 3.909 1.00 71.41 C ATOM 122 OG1 THR A 9 20.111 -0.065 4.445 1.00 52.54 O ATOM 123 CG2 THR A 9 19.134 2.088 4.481 1.00 24.42 C ATOM 0 H THR A 9 18.430 -1.325 2.695 1.00 52.34 H new ATOM 0 HA THR A 9 17.734 -0.403 5.233 1.00 52.31 H new ATOM 0 HB THR A 9 19.090 0.761 2.823 1.00 71.41 H new ATOM 0 HG1 THR A 9 20.955 0.397 4.258 1.00 52.54 H new ATOM 0 HG21 THR A 9 20.100 2.524 4.224 1.00 24.42 H new ATOM 0 HG22 THR A 9 18.336 2.701 4.062 1.00 24.42 H new ATOM 0 HG23 THR A 9 19.031 2.049 5.565 1.00 24.42 H new ATOM 131 N PHE A 10 16.011 1.129 2.866 1.00 52.13 N ATOM 132 CA PHE A 10 14.935 2.103 2.696 1.00 11.42 C ATOM 133 C PHE A 10 13.709 1.682 3.528 1.00 43.33 C ATOM 134 O PHE A 10 12.995 2.534 4.051 1.00 20.42 O ATOM 135 CB PHE A 10 14.615 2.320 1.200 1.00 0.34 C ATOM 136 CG PHE A 10 13.462 1.559 0.560 1.00 24.02 C ATOM 137 CD1 PHE A 10 13.286 0.180 0.760 1.00 40.12 C ATOM 138 CD2 PHE A 10 12.540 2.251 -0.249 1.00 63.03 C ATOM 139 CE1 PHE A 10 12.169 -0.486 0.230 1.00 51.11 C ATOM 140 CE2 PHE A 10 11.465 1.569 -0.846 1.00 42.52 C ATOM 141 CZ PHE A 10 11.273 0.201 -0.600 1.00 11.41 C ATOM 0 H PHE A 10 16.320 0.677 2.006 1.00 52.13 H new ATOM 0 HA PHE A 10 15.259 3.073 3.074 1.00 11.42 H new ATOM 0 HB2 PHE A 10 14.422 3.383 1.059 1.00 0.34 H new ATOM 0 HB3 PHE A 10 15.516 2.081 0.636 1.00 0.34 H new ATOM 0 HD1 PHE A 10 14.018 -0.375 1.328 1.00 40.12 H new ATOM 0 HD2 PHE A 10 12.659 3.312 -0.412 1.00 63.03 H new ATOM 0 HE1 PHE A 10 12.001 -1.527 0.462 1.00 51.11 H new ATOM 0 HE2 PHE A 10 10.785 2.100 -1.496 1.00 42.52 H new ATOM 0 HZ PHE A 10 10.439 -0.320 -1.048 1.00 11.41 H new ATOM 151 N LEU A 11 13.506 0.373 3.720 1.00 23.31 N ATOM 152 CA LEU A 11 12.366 -0.232 4.386 1.00 34.25 C ATOM 153 C LEU A 11 12.453 0.016 5.893 1.00 70.01 C ATOM 154 O LEU A 11 11.447 0.355 6.519 1.00 33.33 O ATOM 155 CB LEU A 11 12.347 -1.738 4.057 1.00 32.13 C ATOM 156 CG LEU A 11 10.964 -2.379 4.269 1.00 64.01 C ATOM 157 CD1 LEU A 11 9.991 -2.019 3.137 1.00 71.31 C ATOM 158 CD2 LEU A 11 11.110 -3.900 4.366 1.00 30.25 C ATOM 0 H LEU A 11 14.175 -0.324 3.393 1.00 23.31 H new ATOM 0 HA LEU A 11 11.436 0.215 4.035 1.00 34.25 H new ATOM 0 HB2 LEU A 11 12.654 -1.883 3.021 1.00 32.13 H new ATOM 0 HB3 LEU A 11 13.079 -2.251 4.681 1.00 32.13 H new ATOM 0 HG LEU A 11 10.551 -1.987 5.199 1.00 64.01 H new ATOM 0 HD11 LEU A 11 9.026 -2.490 3.323 1.00 71.31 H new ATOM 0 HD12 LEU A 11 9.865 -0.937 3.096 1.00 71.31 H new ATOM 0 HD13 LEU A 11 10.391 -2.374 2.187 1.00 71.31 H new ATOM 0 HD21 LEU A 11 10.129 -4.351 4.516 1.00 30.25 H new ATOM 0 HD22 LEU A 11 11.548 -4.283 3.444 1.00 30.25 H new ATOM 0 HD23 LEU A 11 11.757 -4.151 5.207 1.00 30.25 H new ATOM 170 N GLN A 12 13.670 -0.034 6.451 1.00 3.54 N ATOM 171 CA GLN A 12 13.970 0.289 7.853 1.00 51.43 C ATOM 172 C GLN A 12 13.565 1.720 8.235 1.00 62.34 C ATOM 173 O GLN A 12 13.474 2.047 9.418 1.00 22.24 O ATOM 174 CB GLN A 12 15.472 0.116 8.139 1.00 53.32 C ATOM 175 CG GLN A 12 16.008 -1.278 7.803 1.00 33.15 C ATOM 176 CD GLN A 12 17.477 -1.404 8.194 1.00 70.42 C ATOM 177 OE1 GLN A 12 18.346 -0.737 7.636 1.00 44.23 O ATOM 178 NE2 GLN A 12 17.792 -2.238 9.166 1.00 25.44 N ATOM 0 H GLN A 12 14.498 -0.309 5.923 1.00 3.54 H new ATOM 0 HA GLN A 12 13.382 -0.405 8.454 1.00 51.43 H new ATOM 0 HB2 GLN A 12 16.029 0.857 7.566 1.00 53.32 H new ATOM 0 HB3 GLN A 12 15.658 0.322 9.193 1.00 53.32 H new ATOM 0 HG2 GLN A 12 15.422 -2.033 8.326 1.00 33.15 H new ATOM 0 HG3 GLN A 12 15.894 -1.469 6.736 1.00 33.15 H new ATOM 0 HE21 GLN A 12 17.064 -2.787 9.623 1.00 25.44 H new ATOM 0 HE22 GLN A 12 18.764 -2.334 9.461 1.00 25.44 H new ATOM 187 N LYS A 13 13.338 2.582 7.242 1.00 0.23 N ATOM 188 CA LYS A 13 12.968 3.981 7.401 1.00 34.05 C ATOM 189 C LYS A 13 11.526 4.195 6.954 1.00 24.11 C ATOM 190 O LYS A 13 10.769 4.904 7.605 1.00 60.20 O ATOM 191 CB LYS A 13 13.954 4.814 6.576 1.00 4.21 C ATOM 192 CG LYS A 13 15.383 4.676 7.128 1.00 13.13 C ATOM 193 CD LYS A 13 16.412 5.247 6.152 1.00 63.24 C ATOM 194 CE LYS A 13 17.714 5.588 6.887 1.00 15.33 C ATOM 195 NZ LYS A 13 17.793 7.027 7.197 1.00 62.03 N ATOM 0 H LYS A 13 13.412 2.307 6.263 1.00 0.23 H new ATOM 0 HA LYS A 13 13.021 4.288 8.445 1.00 34.05 H new ATOM 0 HB2 LYS A 13 13.929 4.490 5.536 1.00 4.21 H new ATOM 0 HB3 LYS A 13 13.653 5.862 6.591 1.00 4.21 H new ATOM 0 HG2 LYS A 13 15.458 5.195 8.084 1.00 13.13 H new ATOM 0 HG3 LYS A 13 15.602 3.625 7.318 1.00 13.13 H new ATOM 0 HD2 LYS A 13 16.612 4.525 5.361 1.00 63.24 H new ATOM 0 HD3 LYS A 13 16.012 6.141 5.674 1.00 63.24 H new ATOM 0 HE2 LYS A 13 17.775 5.011 7.810 1.00 15.33 H new ATOM 0 HE3 LYS A 13 18.567 5.299 6.273 1.00 15.33 H new ATOM 0 HZ1 LYS A 13 18.685 7.227 7.694 1.00 62.03 H new ATOM 0 HZ2 LYS A 13 17.759 7.575 6.314 1.00 62.03 H new ATOM 0 HZ3 LYS A 13 16.991 7.296 7.802 1.00 62.03 H new ATOM 209 N PHE A 14 11.108 3.536 5.875 1.00 34.44 N ATOM 210 CA PHE A 14 9.750 3.575 5.347 1.00 32.15 C ATOM 211 C PHE A 14 8.735 3.030 6.365 1.00 13.41 C ATOM 212 O PHE A 14 7.592 3.492 6.414 1.00 73.44 O ATOM 213 CB PHE A 14 9.749 2.778 4.035 1.00 33.11 C ATOM 214 CG PHE A 14 8.581 3.010 3.106 1.00 40.34 C ATOM 215 CD1 PHE A 14 8.370 4.284 2.542 1.00 75.11 C ATOM 216 CD2 PHE A 14 7.777 1.927 2.711 1.00 14.24 C ATOM 217 CE1 PHE A 14 7.332 4.478 1.614 1.00 20.41 C ATOM 218 CE2 PHE A 14 6.757 2.122 1.768 1.00 41.33 C ATOM 219 CZ PHE A 14 6.518 3.400 1.239 1.00 60.42 C ATOM 0 H PHE A 14 11.729 2.940 5.327 1.00 34.44 H new ATOM 0 HA PHE A 14 9.441 4.602 5.153 1.00 32.15 H new ATOM 0 HB2 PHE A 14 10.666 3.010 3.494 1.00 33.11 H new ATOM 0 HB3 PHE A 14 9.784 1.717 4.281 1.00 33.11 H new ATOM 0 HD1 PHE A 14 9.005 5.111 2.823 1.00 75.11 H new ATOM 0 HD2 PHE A 14 7.944 0.947 3.133 1.00 14.24 H new ATOM 0 HE1 PHE A 14 7.162 5.457 1.190 1.00 20.41 H new ATOM 0 HE2 PHE A 14 6.153 1.286 1.448 1.00 41.33 H new ATOM 0 HZ PHE A 14 5.707 3.553 0.543 1.00 60.42 H new ATOM 229 N THR A 15 9.149 2.088 7.213 1.00 4.23 N ATOM 230 CA THR A 15 8.345 1.483 8.277 1.00 74.01 C ATOM 231 C THR A 15 8.696 2.151 9.629 1.00 30.14 C ATOM 232 O THR A 15 8.386 1.639 10.700 1.00 73.20 O ATOM 233 CB THR A 15 8.508 -0.060 8.217 1.00 52.50 C ATOM 234 OG1 THR A 15 9.830 -0.406 8.584 1.00 34.45 O ATOM 235 CG2 THR A 15 8.291 -0.646 6.815 1.00 74.21 C ATOM 0 H THR A 15 10.095 1.709 7.176 1.00 4.23 H new ATOM 0 HA THR A 15 7.278 1.664 8.146 1.00 74.01 H new ATOM 0 HB THR A 15 7.753 -0.463 8.892 1.00 52.50 H new ATOM 0 HG1 THR A 15 10.461 -0.011 7.946 1.00 34.45 H new ATOM 0 HG21 THR A 15 8.421 -1.728 6.849 1.00 74.21 H new ATOM 0 HG22 THR A 15 7.282 -0.412 6.475 1.00 74.21 H new ATOM 0 HG23 THR A 15 9.016 -0.215 6.124 1.00 74.21 H new ATOM 243 N SER A 16 9.390 3.295 9.608 1.00 42.51 N ATOM 244 CA SER A 16 9.917 3.956 10.790 1.00 43.54 C ATOM 245 C SER A 16 10.057 5.468 10.531 1.00 11.13 C ATOM 246 O SER A 16 11.078 6.068 10.865 1.00 31.14 O ATOM 247 CB SER A 16 11.234 3.255 11.151 1.00 64.01 C ATOM 248 OG SER A 16 11.361 3.089 12.545 1.00 21.12 O ATOM 0 H SER A 16 9.602 3.793 8.743 1.00 42.51 H new ATOM 0 HA SER A 16 9.246 3.876 11.645 1.00 43.54 H new ATOM 0 HB2 SER A 16 11.277 2.282 10.661 1.00 64.01 H new ATOM 0 HB3 SER A 16 12.074 3.838 10.774 1.00 64.01 H new ATOM 0 HG SER A 16 12.208 2.639 12.745 1.00 21.12 H new ATOM 254 N SER A 17 9.055 6.057 9.872 1.00 71.31 N ATOM 255 CA SER A 17 8.829 7.477 9.637 1.00 61.24 C ATOM 256 C SER A 17 7.611 7.586 8.722 1.00 75.24 C ATOM 257 O SER A 17 7.727 7.556 7.491 1.00 2.42 O ATOM 258 CB SER A 17 10.026 8.229 9.030 1.00 24.03 C ATOM 259 OG SER A 17 10.874 8.853 9.981 1.00 41.52 O ATOM 0 H SER A 17 8.315 5.494 9.452 1.00 71.31 H new ATOM 0 HA SER A 17 8.672 7.958 10.603 1.00 61.24 H new ATOM 0 HB2 SER A 17 10.617 7.529 8.440 1.00 24.03 H new ATOM 0 HB3 SER A 17 9.651 8.988 8.343 1.00 24.03 H new ATOM 0 HG SER A 17 11.231 8.177 10.594 1.00 41.52 H new ATOM 265 N ALA A 18 6.437 7.738 9.332 1.00 41.34 N ATOM 266 CA ALA A 18 5.190 8.049 8.654 1.00 21.13 C ATOM 267 C ALA A 18 5.329 9.224 7.679 1.00 31.14 C ATOM 268 O ALA A 18 4.819 9.162 6.556 1.00 64.13 O ATOM 269 CB ALA A 18 4.170 8.397 9.730 1.00 31.35 C ATOM 0 H ALA A 18 6.329 7.644 10.342 1.00 41.34 H new ATOM 0 HA ALA A 18 4.882 7.188 8.061 1.00 21.13 H new ATOM 0 HB1 ALA A 18 3.215 8.638 9.262 1.00 31.35 H new ATOM 0 HB2 ALA A 18 4.042 7.546 10.399 1.00 31.35 H new ATOM 0 HB3 ALA A 18 4.522 9.257 10.300 1.00 31.35 H new ATOM 275 N SER A 19 6.010 10.296 8.084 1.00 41.41 N ATOM 276 CA SER A 19 6.166 11.492 7.267 1.00 41.25 C ATOM 277 C SER A 19 6.935 11.178 5.974 1.00 42.14 C ATOM 278 O SER A 19 6.572 11.662 4.898 1.00 75.22 O ATOM 279 CB SER A 19 6.856 12.568 8.113 1.00 22.42 C ATOM 280 OG SER A 19 8.158 12.129 8.448 1.00 13.31 O ATOM 0 H SER A 19 6.470 10.356 8.993 1.00 41.41 H new ATOM 0 HA SER A 19 5.191 11.866 6.953 1.00 41.25 H new ATOM 0 HB2 SER A 19 6.906 13.506 7.560 1.00 22.42 H new ATOM 0 HB3 SER A 19 6.280 12.762 9.018 1.00 22.42 H new ATOM 0 HG SER A 19 8.605 12.814 8.988 1.00 13.31 H new ATOM 286 N PHE A 20 7.981 10.354 6.087 1.00 73.12 N ATOM 287 CA PHE A 20 8.832 9.903 4.995 1.00 72.13 C ATOM 288 C PHE A 20 8.087 8.926 4.090 1.00 42.43 C ATOM 289 O PHE A 20 8.233 9.025 2.875 1.00 21.12 O ATOM 290 CB PHE A 20 10.093 9.249 5.570 1.00 60.23 C ATOM 291 CG PHE A 20 10.977 8.534 4.568 1.00 42.55 C ATOM 292 CD1 PHE A 20 11.668 9.257 3.577 1.00 40.23 C ATOM 293 CD2 PHE A 20 11.137 7.138 4.655 1.00 3.10 C ATOM 294 CE1 PHE A 20 12.524 8.582 2.688 1.00 11.21 C ATOM 295 CE2 PHE A 20 11.982 6.465 3.757 1.00 71.24 C ATOM 296 CZ PHE A 20 12.681 7.188 2.776 1.00 31.32 C ATOM 0 H PHE A 20 8.266 9.968 6.987 1.00 73.12 H new ATOM 0 HA PHE A 20 9.116 10.764 4.390 1.00 72.13 H new ATOM 0 HB2 PHE A 20 10.685 10.018 6.066 1.00 60.23 H new ATOM 0 HB3 PHE A 20 9.792 8.535 6.337 1.00 60.23 H new ATOM 0 HD1 PHE A 20 11.541 10.327 3.500 1.00 40.23 H new ATOM 0 HD2 PHE A 20 10.608 6.582 5.415 1.00 3.10 H new ATOM 0 HE1 PHE A 20 13.063 9.137 1.935 1.00 11.21 H new ATOM 0 HE2 PHE A 20 12.094 5.393 3.821 1.00 71.24 H new ATOM 0 HZ PHE A 20 13.338 6.673 2.090 1.00 31.32 H new ATOM 306 N GLN A 21 7.264 8.018 4.638 1.00 15.30 N ATOM 307 CA GLN A 21 6.389 7.189 3.814 1.00 21.02 C ATOM 308 C GLN A 21 5.604 8.103 2.864 1.00 32.14 C ATOM 309 O GLN A 21 5.702 7.942 1.646 1.00 31.15 O ATOM 310 CB GLN A 21 5.537 6.228 4.660 1.00 73.33 C ATOM 311 CG GLN A 21 4.488 5.499 3.797 1.00 12.33 C ATOM 312 CD GLN A 21 4.063 4.168 4.385 1.00 72.24 C ATOM 313 OE1 GLN A 21 3.028 4.025 5.019 1.00 43.40 O ATOM 314 NE2 GLN A 21 4.848 3.141 4.132 1.00 54.14 N ATOM 0 H GLN A 21 7.191 7.845 5.640 1.00 15.30 H new ATOM 0 HA GLN A 21 6.975 6.512 3.192 1.00 21.02 H new ATOM 0 HB2 GLN A 21 6.184 5.497 5.145 1.00 73.33 H new ATOM 0 HB3 GLN A 21 5.036 6.785 5.452 1.00 73.33 H new ATOM 0 HG2 GLN A 21 3.611 6.137 3.683 1.00 12.33 H new ATOM 0 HG3 GLN A 21 4.895 5.336 2.799 1.00 12.33 H new ATOM 0 HE21 GLN A 21 5.709 3.276 3.602 1.00 54.14 H new ATOM 0 HE22 GLN A 21 4.595 2.211 4.466 1.00 54.14 H new ATOM 323 N TYR A 22 4.919 9.118 3.398 1.00 11.53 N ATOM 324 CA TYR A 22 4.116 10.058 2.621 1.00 64.44 C ATOM 325 C TYR A 22 4.941 10.704 1.510 1.00 22.30 C ATOM 326 O TYR A 22 4.554 10.609 0.343 1.00 22.20 O ATOM 327 CB TYR A 22 3.464 11.124 3.526 1.00 42.54 C ATOM 328 CG TYR A 22 2.136 10.721 4.132 1.00 23.44 C ATOM 329 CD1 TYR A 22 1.096 10.292 3.291 1.00 73.41 C ATOM 330 CD2 TYR A 22 1.945 10.720 5.530 1.00 34.11 C ATOM 331 CE1 TYR A 22 -0.105 9.817 3.834 1.00 21.21 C ATOM 332 CE2 TYR A 22 0.753 10.212 6.079 1.00 32.35 C ATOM 333 CZ TYR A 22 -0.279 9.749 5.233 1.00 3.34 C ATOM 334 OH TYR A 22 -1.424 9.221 5.739 1.00 63.30 O ATOM 0 H TYR A 22 4.909 9.310 4.400 1.00 11.53 H new ATOM 0 HA TYR A 22 3.312 9.492 2.150 1.00 64.44 H new ATOM 0 HB2 TYR A 22 4.156 11.367 4.332 1.00 42.54 H new ATOM 0 HB3 TYR A 22 3.320 12.034 2.944 1.00 42.54 H new ATOM 0 HD1 TYR A 22 1.223 10.329 2.219 1.00 73.41 H new ATOM 0 HD2 TYR A 22 2.715 11.110 6.180 1.00 34.11 H new ATOM 0 HE1 TYR A 22 -0.903 9.501 3.178 1.00 21.21 H new ATOM 0 HE2 TYR A 22 0.627 10.176 7.151 1.00 32.35 H new ATOM 0 HH TYR A 22 -2.099 9.165 5.031 1.00 63.30 H new ATOM 344 N SER A 23 6.088 11.310 1.838 1.00 71.13 N ATOM 345 CA SER A 23 6.880 12.062 0.869 1.00 52.24 C ATOM 346 C SER A 23 7.483 11.189 -0.242 1.00 44.51 C ATOM 347 O SER A 23 8.073 11.722 -1.193 1.00 13.14 O ATOM 348 CB SER A 23 7.953 12.875 1.600 1.00 34.43 C ATOM 349 OG SER A 23 8.926 12.044 2.190 1.00 35.22 O ATOM 0 H SER A 23 6.487 11.291 2.776 1.00 71.13 H new ATOM 0 HA SER A 23 6.202 12.743 0.354 1.00 52.24 H new ATOM 0 HB2 SER A 23 8.434 13.557 0.898 1.00 34.43 H new ATOM 0 HB3 SER A 23 7.484 13.488 2.369 1.00 34.43 H new ATOM 0 HG SER A 23 8.549 11.151 2.335 1.00 35.22 H new ATOM 355 N ARG A 24 7.373 9.858 -0.157 1.00 23.03 N ATOM 356 CA ARG A 24 7.840 8.917 -1.169 1.00 4.42 C ATOM 357 C ARG A 24 6.683 8.334 -1.972 1.00 72.42 C ATOM 358 O ARG A 24 6.940 7.481 -2.818 1.00 15.55 O ATOM 359 CB ARG A 24 8.700 7.818 -0.508 1.00 4.51 C ATOM 360 CG ARG A 24 9.981 8.296 0.211 1.00 54.44 C ATOM 361 CD ARG A 24 11.050 8.870 -0.723 1.00 23.44 C ATOM 362 NE ARG A 24 10.669 10.187 -1.248 1.00 1.40 N ATOM 363 CZ ARG A 24 11.064 10.694 -2.418 1.00 72.43 C ATOM 364 NH1 ARG A 24 12.120 10.221 -3.060 1.00 73.32 N ATOM 365 NH2 ARG A 24 10.360 11.676 -2.964 1.00 22.21 N ATOM 0 H ARG A 24 6.943 9.397 0.645 1.00 23.03 H new ATOM 0 HA ARG A 24 8.465 9.455 -1.882 1.00 4.42 H new ATOM 0 HB2 ARG A 24 8.080 7.285 0.213 1.00 4.51 H new ATOM 0 HB3 ARG A 24 8.986 7.098 -1.275 1.00 4.51 H new ATOM 0 HG2 ARG A 24 9.710 9.055 0.945 1.00 54.44 H new ATOM 0 HG3 ARG A 24 10.408 7.458 0.762 1.00 54.44 H new ATOM 0 HD2 ARG A 24 11.995 8.953 -0.186 1.00 23.44 H new ATOM 0 HD3 ARG A 24 11.214 8.182 -1.553 1.00 23.44 H new ATOM 0 HE ARG A 24 10.053 10.761 -0.672 1.00 1.40 H new ATOM 0 HH11 ARG A 24 12.655 9.449 -2.662 1.00 73.32 H new ATOM 0 HH12 ARG A 24 12.399 10.628 -3.953 1.00 73.32 H new ATOM 0 HH21 ARG A 24 9.530 12.033 -2.490 1.00 22.21 H new ATOM 0 HH22 ARG A 24 10.648 12.074 -3.858 1.00 22.21 H new ATOM 379 N ILE A 25 5.433 8.767 -1.790 1.00 40.12 N ATOM 380 CA ILE A 25 4.283 8.222 -2.515 1.00 3.45 C ATOM 381 C ILE A 25 3.741 9.296 -3.459 1.00 52.40 C ATOM 382 O ILE A 25 3.421 10.409 -3.043 1.00 54.45 O ATOM 383 CB ILE A 25 3.226 7.695 -1.523 1.00 73.43 C ATOM 384 CG1 ILE A 25 3.781 6.560 -0.634 1.00 54.24 C ATOM 385 CG2 ILE A 25 2.015 7.136 -2.294 1.00 22.13 C ATOM 386 CD1 ILE A 25 3.013 6.486 0.678 1.00 24.35 C ATOM 0 H ILE A 25 5.189 9.508 -1.133 1.00 40.12 H new ATOM 0 HA ILE A 25 4.580 7.367 -3.123 1.00 3.45 H new ATOM 0 HB ILE A 25 2.939 8.535 -0.891 1.00 73.43 H new ATOM 0 HG12 ILE A 25 3.706 5.608 -1.160 1.00 54.24 H new ATOM 0 HG13 ILE A 25 4.839 6.731 -0.434 1.00 54.24 H new ATOM 0 HG21 ILE A 25 1.273 6.766 -1.587 1.00 22.13 H new ATOM 0 HG22 ILE A 25 1.574 7.926 -2.902 1.00 22.13 H new ATOM 0 HG23 ILE A 25 2.340 6.320 -2.940 1.00 22.13 H new ATOM 0 HD11 ILE A 25 3.418 5.681 1.291 1.00 24.35 H new ATOM 0 HD12 ILE A 25 3.110 7.432 1.210 1.00 24.35 H new ATOM 0 HD13 ILE A 25 1.960 6.292 0.473 1.00 24.35 H new ATOM 398 N LYS A 26 3.667 8.964 -4.747 1.00 60.33 N ATOM 399 CA LYS A 26 3.106 9.775 -5.808 1.00 43.54 C ATOM 400 C LYS A 26 1.605 9.825 -5.565 1.00 31.22 C ATOM 401 O LYS A 26 1.028 8.869 -5.052 1.00 44.30 O ATOM 402 CB LYS A 26 3.447 9.128 -7.175 1.00 54.42 C ATOM 403 CG LYS A 26 4.085 10.115 -8.167 1.00 41.25 C ATOM 404 CD LYS A 26 5.615 10.077 -8.063 1.00 33.21 C ATOM 405 CE LYS A 26 6.311 11.323 -8.612 1.00 43.15 C ATOM 406 NZ LYS A 26 6.385 11.383 -10.086 1.00 43.45 N ATOM 0 H LYS A 26 4.019 8.070 -5.089 1.00 60.33 H new ATOM 0 HA LYS A 26 3.512 10.786 -5.819 1.00 43.54 H new ATOM 0 HB2 LYS A 26 4.128 8.292 -7.015 1.00 54.42 H new ATOM 0 HB3 LYS A 26 2.537 8.719 -7.614 1.00 54.42 H new ATOM 0 HG2 LYS A 26 3.779 9.866 -9.183 1.00 41.25 H new ATOM 0 HG3 LYS A 26 3.727 11.124 -7.964 1.00 41.25 H new ATOM 0 HD2 LYS A 26 5.894 9.950 -7.017 1.00 33.21 H new ATOM 0 HD3 LYS A 26 5.983 9.203 -8.600 1.00 33.21 H new ATOM 0 HE2 LYS A 26 5.785 12.207 -8.251 1.00 43.15 H new ATOM 0 HE3 LYS A 26 7.322 11.367 -8.208 1.00 43.15 H new ATOM 0 HZ1 LYS A 26 6.870 12.257 -10.374 1.00 43.45 H new ATOM 0 HZ2 LYS A 26 6.913 10.560 -10.441 1.00 43.45 H new ATOM 0 HZ3 LYS A 26 5.424 11.374 -10.482 1.00 43.45 H new ATOM 420 N PHE A 27 0.951 10.913 -5.939 1.00 55.54 N ATOM 421 CA PHE A 27 -0.489 11.023 -5.808 1.00 51.34 C ATOM 422 C PHE A 27 -1.018 11.886 -6.954 1.00 43.24 C ATOM 423 O PHE A 27 -0.390 12.914 -7.242 1.00 23.14 O ATOM 424 CB PHE A 27 -0.840 11.577 -4.417 1.00 41.13 C ATOM 425 CG PHE A 27 -0.411 12.996 -4.082 1.00 55.34 C ATOM 426 CD1 PHE A 27 0.946 13.303 -3.863 1.00 61.31 C ATOM 427 CD2 PHE A 27 -1.382 14.006 -3.929 1.00 14.42 C ATOM 428 CE1 PHE A 27 1.331 14.614 -3.538 1.00 51.51 C ATOM 429 CE2 PHE A 27 -0.996 15.309 -3.571 1.00 22.12 C ATOM 430 CZ PHE A 27 0.362 15.619 -3.391 1.00 74.05 C ATOM 0 H PHE A 27 1.401 11.737 -6.338 1.00 55.54 H new ATOM 0 HA PHE A 27 -0.970 10.048 -5.882 1.00 51.34 H new ATOM 0 HB2 PHE A 27 -1.922 11.519 -4.298 1.00 41.13 H new ATOM 0 HB3 PHE A 27 -0.402 10.912 -3.673 1.00 41.13 H new ATOM 0 HD1 PHE A 27 1.693 12.528 -3.945 1.00 61.31 H new ATOM 0 HD2 PHE A 27 -2.426 13.778 -4.087 1.00 14.42 H new ATOM 0 HE1 PHE A 27 2.376 14.850 -3.401 1.00 51.51 H new ATOM 0 HE2 PHE A 27 -1.746 16.074 -3.434 1.00 22.12 H new ATOM 0 HZ PHE A 27 0.660 16.627 -3.140 1.00 74.05 H new ATOM 440 N PRO A 28 -2.141 11.531 -7.605 1.00 0.51 N ATOM 441 CA PRO A 28 -2.859 10.257 -7.500 1.00 13.34 C ATOM 442 C PRO A 28 -2.058 9.063 -8.073 1.00 20.12 C ATOM 443 O PRO A 28 -0.942 9.254 -8.564 1.00 11.52 O ATOM 444 CB PRO A 28 -4.173 10.499 -8.245 1.00 15.54 C ATOM 445 CG PRO A 28 -3.803 11.525 -9.312 1.00 61.12 C ATOM 446 CD PRO A 28 -2.787 12.396 -8.582 1.00 21.13 C ATOM 0 HA PRO A 28 -3.025 9.971 -6.461 1.00 13.34 H new ATOM 0 HB2 PRO A 28 -4.556 9.580 -8.689 1.00 15.54 H new ATOM 0 HB3 PRO A 28 -4.947 10.877 -7.578 1.00 15.54 H new ATOM 0 HG2 PRO A 28 -3.375 11.055 -10.198 1.00 61.12 H new ATOM 0 HG3 PRO A 28 -4.669 12.099 -9.643 1.00 61.12 H new ATOM 0 HD2 PRO A 28 -2.058 12.810 -9.278 1.00 21.13 H new ATOM 0 HD3 PRO A 28 -3.276 13.239 -8.093 1.00 21.13 H new ATOM 454 N LEU A 29 -2.606 7.841 -7.961 1.00 4.44 N ATOM 455 CA LEU A 29 -1.928 6.554 -8.187 1.00 1.41 C ATOM 456 C LEU A 29 -2.588 5.749 -9.320 1.00 40.44 C ATOM 457 O LEU A 29 -3.720 6.040 -9.724 1.00 0.23 O ATOM 458 CB LEU A 29 -1.937 5.749 -6.871 1.00 14.55 C ATOM 459 CG LEU A 29 -1.039 6.367 -5.779 1.00 21.45 C ATOM 460 CD1 LEU A 29 -1.442 5.914 -4.374 1.00 23.25 C ATOM 461 CD2 LEU A 29 0.424 5.983 -6.021 1.00 73.20 C ATOM 0 H LEU A 29 -3.584 7.718 -7.697 1.00 4.44 H new ATOM 0 HA LEU A 29 -0.901 6.750 -8.497 1.00 1.41 H new ATOM 0 HB2 LEU A 29 -2.959 5.684 -6.499 1.00 14.55 H new ATOM 0 HB3 LEU A 29 -1.605 4.730 -7.073 1.00 14.55 H new ATOM 0 HG LEU A 29 -1.164 7.448 -5.839 1.00 21.45 H new ATOM 0 HD11 LEU A 29 -0.781 6.375 -3.640 1.00 23.25 H new ATOM 0 HD12 LEU A 29 -2.471 6.215 -4.176 1.00 23.25 H new ATOM 0 HD13 LEU A 29 -1.361 4.829 -4.304 1.00 23.25 H new ATOM 0 HD21 LEU A 29 1.049 6.424 -5.245 1.00 73.20 H new ATOM 0 HD22 LEU A 29 0.525 4.898 -5.995 1.00 73.20 H new ATOM 0 HD23 LEU A 29 0.741 6.353 -6.996 1.00 73.20 H new ATOM 473 N LYS A 30 -1.882 4.743 -9.856 1.00 71.30 N ATOM 474 CA LYS A 30 -2.280 4.025 -11.078 1.00 51.54 C ATOM 475 C LYS A 30 -3.483 3.091 -10.906 1.00 74.03 C ATOM 476 O LYS A 30 -4.102 2.744 -11.914 1.00 24.11 O ATOM 477 CB LYS A 30 -1.101 3.245 -11.665 1.00 72.30 C ATOM 478 CG LYS A 30 -0.058 4.142 -12.350 1.00 12.44 C ATOM 479 CD LYS A 30 1.072 3.285 -12.934 1.00 15.12 C ATOM 480 CE LYS A 30 2.086 4.142 -13.705 1.00 60.03 C ATOM 481 NZ LYS A 30 3.241 3.344 -14.168 1.00 1.11 N ATOM 0 H LYS A 30 -1.011 4.401 -9.451 1.00 71.30 H new ATOM 0 HA LYS A 30 -2.596 4.806 -11.769 1.00 51.54 H new ATOM 0 HB2 LYS A 30 -0.617 2.679 -10.869 1.00 72.30 H new ATOM 0 HB3 LYS A 30 -1.477 2.521 -12.387 1.00 72.30 H new ATOM 0 HG2 LYS A 30 -0.531 4.723 -13.142 1.00 12.44 H new ATOM 0 HG3 LYS A 30 0.349 4.854 -11.632 1.00 12.44 H new ATOM 0 HD2 LYS A 30 1.580 2.754 -12.129 1.00 15.12 H new ATOM 0 HD3 LYS A 30 0.652 2.530 -13.599 1.00 15.12 H new ATOM 0 HE2 LYS A 30 1.595 4.602 -14.563 1.00 60.03 H new ATOM 0 HE3 LYS A 30 2.437 4.952 -13.066 1.00 60.03 H new ATOM 0 HZ1 LYS A 30 3.903 3.958 -14.684 1.00 1.11 H new ATOM 0 HZ2 LYS A 30 3.725 2.925 -13.348 1.00 1.11 H new ATOM 0 HZ3 LYS A 30 2.909 2.586 -14.798 1.00 1.11 H new ATOM 495 N SER A 31 -3.848 2.690 -9.696 1.00 15.42 N ATOM 496 CA SER A 31 -4.977 1.819 -9.406 1.00 63.01 C ATOM 497 C SER A 31 -6.008 2.680 -8.664 1.00 3.15 C ATOM 498 O SER A 31 -5.924 2.798 -7.438 1.00 52.31 O ATOM 499 CB SER A 31 -4.479 0.587 -8.638 1.00 33.34 C ATOM 500 OG SER A 31 -5.361 -0.514 -8.752 1.00 23.04 O ATOM 0 H SER A 31 -3.345 2.975 -8.856 1.00 15.42 H new ATOM 0 HA SER A 31 -5.462 1.415 -10.294 1.00 63.01 H new ATOM 0 HB2 SER A 31 -3.496 0.302 -9.013 1.00 33.34 H new ATOM 0 HB3 SER A 31 -4.357 0.843 -7.586 1.00 33.34 H new ATOM 0 HG SER A 31 -5.002 -1.274 -8.249 1.00 23.04 H new ATOM 506 N PRO A 32 -6.895 3.403 -9.378 1.00 61.33 N ATOM 507 CA PRO A 32 -7.845 4.323 -8.763 1.00 33.33 C ATOM 508 C PRO A 32 -8.823 3.566 -7.860 1.00 0.44 C ATOM 509 O PRO A 32 -8.954 2.346 -7.954 1.00 22.33 O ATOM 510 CB PRO A 32 -8.564 5.005 -9.929 1.00 61.04 C ATOM 511 CG PRO A 32 -8.528 3.948 -11.029 1.00 11.32 C ATOM 512 CD PRO A 32 -7.181 3.267 -10.800 1.00 73.01 C ATOM 0 HA PRO A 32 -7.352 5.055 -8.123 1.00 33.33 H new ATOM 0 HB2 PRO A 32 -9.586 5.278 -9.667 1.00 61.04 H new ATOM 0 HB3 PRO A 32 -8.057 5.921 -10.234 1.00 61.04 H new ATOM 0 HG2 PRO A 32 -9.357 3.245 -10.942 1.00 11.32 H new ATOM 0 HG3 PRO A 32 -8.592 4.395 -12.021 1.00 11.32 H new ATOM 0 HD2 PRO A 32 -7.221 2.217 -11.091 1.00 73.01 H new ATOM 0 HD3 PRO A 32 -6.401 3.735 -11.401 1.00 73.01 H new ATOM 520 N ILE A 33 -9.523 4.294 -6.992 1.00 20.05 N ATOM 521 CA ILE A 33 -10.543 3.736 -6.112 1.00 54.41 C ATOM 522 C ILE A 33 -11.702 3.331 -7.025 1.00 23.34 C ATOM 523 O ILE A 33 -12.384 4.208 -7.555 1.00 72.14 O ATOM 524 CB ILE A 33 -10.960 4.784 -5.057 1.00 41.23 C ATOM 525 CG1 ILE A 33 -9.787 5.235 -4.169 1.00 63.44 C ATOM 526 CG2 ILE A 33 -12.108 4.265 -4.179 1.00 31.05 C ATOM 527 CD1 ILE A 33 -10.121 6.515 -3.398 1.00 43.22 C ATOM 0 H ILE A 33 -9.395 5.300 -6.880 1.00 20.05 H new ATOM 0 HA ILE A 33 -10.187 2.872 -5.551 1.00 54.41 H new ATOM 0 HB ILE A 33 -11.302 5.654 -5.617 1.00 41.23 H new ATOM 0 HG12 ILE A 33 -9.537 4.441 -3.465 1.00 63.44 H new ATOM 0 HG13 ILE A 33 -8.905 5.402 -4.788 1.00 63.44 H new ATOM 0 HG21 ILE A 33 -12.378 5.026 -3.447 1.00 31.05 H new ATOM 0 HG22 ILE A 33 -12.972 4.040 -4.805 1.00 31.05 H new ATOM 0 HG23 ILE A 33 -11.790 3.360 -3.662 1.00 31.05 H new ATOM 0 HD11 ILE A 33 -9.268 6.802 -2.782 1.00 43.22 H new ATOM 0 HD12 ILE A 33 -10.346 7.316 -4.102 1.00 43.22 H new ATOM 0 HD13 ILE A 33 -10.987 6.340 -2.760 1.00 43.22 H new ATOM 539 N ALA A 34 -11.876 2.035 -7.278 1.00 52.24 N ATOM 540 CA ALA A 34 -12.776 1.524 -8.303 1.00 24.22 C ATOM 541 C ALA A 34 -13.964 0.853 -7.619 1.00 73.21 C ATOM 542 O ALA A 34 -13.803 -0.228 -7.057 1.00 12.12 O ATOM 543 CB ALA A 34 -11.998 0.589 -9.236 1.00 41.34 C ATOM 0 H ALA A 34 -11.386 1.301 -6.767 1.00 52.24 H new ATOM 0 HA ALA A 34 -13.174 2.325 -8.926 1.00 24.22 H new ATOM 0 HB1 ALA A 34 -12.667 0.203 -10.005 1.00 41.34 H new ATOM 0 HB2 ALA A 34 -11.183 1.140 -9.706 1.00 41.34 H new ATOM 0 HB3 ALA A 34 -11.590 -0.242 -8.661 1.00 41.34 H new ATOM 549 N LEU A 35 -15.122 1.525 -7.588 1.00 73.52 N ATOM 550 CA LEU A 35 -16.266 1.160 -6.737 1.00 20.43 C ATOM 551 C LEU A 35 -17.541 1.163 -7.580 1.00 14.33 C ATOM 552 O LEU A 35 -17.448 1.320 -8.798 1.00 73.24 O ATOM 553 CB LEU A 35 -16.404 2.130 -5.548 1.00 32.15 C ATOM 554 CG LEU A 35 -15.143 2.321 -4.689 1.00 62.52 C ATOM 555 CD1 LEU A 35 -15.415 3.428 -3.668 1.00 22.52 C ATOM 556 CD2 LEU A 35 -14.660 1.051 -3.981 1.00 11.22 C ATOM 0 H LEU A 35 -15.295 2.351 -8.162 1.00 73.52 H new ATOM 0 HA LEU A 35 -16.100 0.162 -6.331 1.00 20.43 H new ATOM 0 HB2 LEU A 35 -16.710 3.103 -5.931 1.00 32.15 H new ATOM 0 HB3 LEU A 35 -17.208 1.774 -4.904 1.00 32.15 H new ATOM 0 HG LEU A 35 -14.333 2.594 -5.366 1.00 62.52 H new ATOM 0 HD11 LEU A 35 -14.530 3.577 -3.049 1.00 22.52 H new ATOM 0 HD12 LEU A 35 -15.653 4.354 -4.191 1.00 22.52 H new ATOM 0 HD13 LEU A 35 -16.256 3.142 -3.036 1.00 22.52 H new ATOM 0 HD21 LEU A 35 -13.767 1.277 -3.398 1.00 11.22 H new ATOM 0 HD22 LEU A 35 -15.443 0.684 -3.318 1.00 11.22 H new ATOM 0 HD23 LEU A 35 -14.426 0.288 -4.723 1.00 11.22 H new ATOM 568 N LEU A 36 -18.710 1.017 -6.949 1.00 61.23 N ATOM 569 CA LEU A 36 -19.997 0.924 -7.633 1.00 23.23 C ATOM 570 C LEU A 36 -20.949 2.055 -7.256 1.00 63.12 C ATOM 571 O LEU A 36 -21.008 2.466 -6.091 1.00 14.33 O ATOM 572 CB LEU A 36 -20.679 -0.404 -7.304 1.00 40.43 C ATOM 573 CG LEU A 36 -19.927 -1.675 -7.739 1.00 54.32 C ATOM 574 CD1 LEU A 36 -20.755 -2.875 -7.275 1.00 31.34 C ATOM 575 CD2 LEU A 36 -19.691 -1.731 -9.252 1.00 40.30 C ATOM 0 H LEU A 36 -18.787 0.960 -5.934 1.00 61.23 H new ATOM 0 HA LEU A 36 -19.781 0.997 -8.699 1.00 23.23 H new ATOM 0 HB2 LEU A 36 -20.838 -0.451 -6.227 1.00 40.43 H new ATOM 0 HB3 LEU A 36 -21.663 -0.410 -7.772 1.00 40.43 H new ATOM 0 HG LEU A 36 -18.936 -1.680 -7.285 1.00 54.32 H new ATOM 0 HD11 LEU A 36 -20.253 -3.798 -7.566 1.00 31.34 H new ATOM 0 HD12 LEU A 36 -20.862 -2.846 -6.191 1.00 31.34 H new ATOM 0 HD13 LEU A 36 -21.741 -2.837 -7.738 1.00 31.34 H new ATOM 0 HD21 LEU A 36 -19.157 -2.648 -9.503 1.00 40.30 H new ATOM 0 HD22 LEU A 36 -20.650 -1.716 -9.771 1.00 40.30 H new ATOM 0 HD23 LEU A 36 -19.098 -0.870 -9.560 1.00 40.30 H new ATOM 587 N LYS A 37 -21.709 2.536 -8.247 1.00 4.12 N ATOM 588 CA LYS A 37 -22.737 3.570 -8.106 1.00 72.44 C ATOM 589 C LYS A 37 -24.028 3.004 -7.504 1.00 54.43 C ATOM 590 O LYS A 37 -24.064 1.912 -6.937 1.00 2.15 O ATOM 591 CB LYS A 37 -22.994 4.271 -9.454 1.00 2.12 C ATOM 592 CG LYS A 37 -21.712 4.701 -10.177 1.00 4.23 C ATOM 593 CD LYS A 37 -21.992 5.303 -11.556 1.00 54.04 C ATOM 594 CE LYS A 37 -22.203 6.818 -11.585 1.00 53.43 C ATOM 595 NZ LYS A 37 -23.428 7.256 -10.890 1.00 43.11 N ATOM 0 H LYS A 37 -21.620 2.201 -9.206 1.00 4.12 H new ATOM 0 HA LYS A 37 -22.366 4.320 -7.407 1.00 72.44 H new ATOM 0 HB2 LYS A 37 -23.558 3.600 -10.101 1.00 2.12 H new ATOM 0 HB3 LYS A 37 -23.617 5.149 -9.284 1.00 2.12 H new ATOM 0 HG2 LYS A 37 -21.181 5.431 -9.566 1.00 4.23 H new ATOM 0 HG3 LYS A 37 -21.054 3.839 -10.287 1.00 4.23 H new ATOM 0 HD2 LYS A 37 -21.160 5.057 -12.216 1.00 54.04 H new ATOM 0 HD3 LYS A 37 -22.879 4.823 -11.969 1.00 54.04 H new ATOM 0 HE2 LYS A 37 -21.342 7.305 -11.128 1.00 53.43 H new ATOM 0 HE3 LYS A 37 -22.245 7.151 -12.622 1.00 53.43 H new ATOM 0 HZ1 LYS A 37 -23.656 8.231 -11.170 1.00 43.11 H new ATOM 0 HZ2 LYS A 37 -24.216 6.628 -11.147 1.00 43.11 H new ATOM 0 HZ3 LYS A 37 -23.276 7.217 -9.862 1.00 43.11 H new ATOM 609 N ASP A 38 -25.086 3.804 -7.570 1.00 43.30 N ATOM 610 CA ASP A 38 -26.441 3.546 -7.105 1.00 20.34 C ATOM 611 C ASP A 38 -27.260 2.666 -8.053 1.00 44.42 C ATOM 612 O ASP A 38 -28.428 2.406 -7.764 1.00 52.30 O ATOM 613 CB ASP A 38 -27.157 4.892 -6.884 1.00 11.25 C ATOM 614 CG ASP A 38 -27.390 5.722 -8.158 1.00 21.35 C ATOM 615 OD1 ASP A 38 -26.648 5.558 -9.155 1.00 20.55 O ATOM 616 OD2 ASP A 38 -28.241 6.642 -8.101 1.00 62.54 O ATOM 0 H ASP A 38 -25.009 4.731 -7.988 1.00 43.30 H new ATOM 0 HA ASP A 38 -26.360 2.988 -6.172 1.00 20.34 H new ATOM 0 HB2 ASP A 38 -28.121 4.700 -6.412 1.00 11.25 H new ATOM 0 HB3 ASP A 38 -26.572 5.487 -6.183 1.00 11.25 H new ATOM 621 N ASP A 39 -26.675 2.160 -9.137 1.00 74.42 N ATOM 622 CA ASP A 39 -27.338 1.367 -10.165 1.00 74.14 C ATOM 623 C ASP A 39 -26.634 0.009 -10.199 1.00 3.22 C ATOM 624 O ASP A 39 -26.031 -0.406 -11.187 1.00 20.24 O ATOM 625 CB ASP A 39 -27.346 2.157 -11.474 1.00 4.05 C ATOM 626 CG ASP A 39 -27.820 1.365 -12.693 1.00 51.31 C ATOM 627 OD1 ASP A 39 -28.627 0.420 -12.544 1.00 14.22 O ATOM 628 OD2 ASP A 39 -27.407 1.724 -13.820 1.00 55.44 O ATOM 0 H ASP A 39 -25.683 2.299 -9.329 1.00 74.42 H new ATOM 0 HA ASP A 39 -28.391 1.167 -9.965 1.00 74.14 H new ATOM 0 HB2 ASP A 39 -27.988 3.030 -11.352 1.00 4.05 H new ATOM 0 HB3 ASP A 39 -26.339 2.526 -11.666 1.00 4.05 H new ATOM 633 N GLY A 40 -26.612 -0.620 -9.015 1.00 41.41 N ATOM 634 CA GLY A 40 -25.918 -1.860 -8.686 1.00 44.22 C ATOM 635 C GLY A 40 -24.494 -1.893 -9.211 1.00 41.43 C ATOM 636 O GLY A 40 -23.604 -1.296 -8.632 1.00 75.30 O ATOM 0 H GLY A 40 -27.115 -0.245 -8.211 1.00 41.41 H new ATOM 0 HA2 GLY A 40 -25.905 -1.988 -7.604 1.00 44.22 H new ATOM 0 HA3 GLY A 40 -26.473 -2.702 -9.099 1.00 44.22 H new ATOM 640 N GLU A 41 -24.278 -2.603 -10.314 1.00 64.32 N ATOM 641 CA GLU A 41 -22.962 -2.954 -10.832 1.00 71.41 C ATOM 642 C GLU A 41 -22.514 -1.976 -11.916 1.00 51.44 C ATOM 643 O GLU A 41 -22.022 -2.330 -12.992 1.00 14.23 O ATOM 644 CB GLU A 41 -22.951 -4.410 -11.265 1.00 41.40 C ATOM 645 CG GLU A 41 -24.033 -4.762 -12.285 1.00 73.33 C ATOM 646 CD GLU A 41 -23.782 -6.144 -12.871 1.00 34.53 C ATOM 647 OE1 GLU A 41 -24.250 -7.136 -12.265 1.00 54.43 O ATOM 648 OE2 GLU A 41 -23.147 -6.233 -13.951 1.00 41.01 O ATOM 0 H GLU A 41 -25.040 -2.961 -10.890 1.00 64.32 H new ATOM 0 HA GLU A 41 -22.217 -2.859 -10.042 1.00 71.41 H new ATOM 0 HB2 GLU A 41 -21.975 -4.645 -11.690 1.00 41.40 H new ATOM 0 HB3 GLU A 41 -23.076 -5.041 -10.385 1.00 41.40 H new ATOM 0 HG2 GLU A 41 -25.013 -4.735 -11.809 1.00 73.33 H new ATOM 0 HG3 GLU A 41 -24.045 -4.019 -13.082 1.00 73.33 H new ATOM 655 N THR A 42 -22.729 -0.710 -11.617 1.00 71.34 N ATOM 656 CA THR A 42 -22.325 0.435 -12.411 1.00 54.32 C ATOM 657 C THR A 42 -20.869 0.770 -12.116 1.00 42.22 C ATOM 658 O THR A 42 -20.499 0.934 -10.954 1.00 11.13 O ATOM 659 CB THR A 42 -23.206 1.650 -12.088 1.00 73.30 C ATOM 660 OG1 THR A 42 -24.059 1.428 -10.978 1.00 53.31 O ATOM 661 CG2 THR A 42 -24.041 2.041 -13.299 1.00 74.30 C ATOM 0 H THR A 42 -23.218 -0.437 -10.765 1.00 71.34 H new ATOM 0 HA THR A 42 -22.440 0.189 -13.467 1.00 54.32 H new ATOM 0 HB THR A 42 -22.528 2.462 -11.826 1.00 73.30 H new ATOM 0 HG1 THR A 42 -24.657 0.676 -11.170 1.00 53.31 H new ATOM 0 HG21 THR A 42 -24.659 2.904 -13.051 1.00 74.30 H new ATOM 0 HG22 THR A 42 -23.382 2.293 -14.130 1.00 74.30 H new ATOM 0 HG23 THR A 42 -24.681 1.206 -13.585 1.00 74.30 H new ATOM 669 N GLU A 43 -20.051 0.896 -13.162 1.00 32.24 N ATOM 670 CA GLU A 43 -18.652 1.277 -13.034 1.00 51.03 C ATOM 671 C GLU A 43 -18.507 2.615 -12.319 1.00 2.22 C ATOM 672 O GLU A 43 -19.281 3.549 -12.549 1.00 41.42 O ATOM 673 CB GLU A 43 -18.006 1.353 -14.425 1.00 63.42 C ATOM 674 CG GLU A 43 -18.513 2.524 -15.301 1.00 73.22 C ATOM 675 CD GLU A 43 -18.052 2.470 -16.758 1.00 33.35 C ATOM 676 OE1 GLU A 43 -17.359 1.500 -17.145 1.00 52.04 O ATOM 677 OE2 GLU A 43 -18.401 3.392 -17.525 1.00 63.21 O ATOM 0 H GLU A 43 -20.346 0.735 -14.125 1.00 32.24 H new ATOM 0 HA GLU A 43 -18.145 0.519 -12.437 1.00 51.03 H new ATOM 0 HB2 GLU A 43 -16.926 1.445 -14.307 1.00 63.42 H new ATOM 0 HB3 GLU A 43 -18.191 0.416 -14.950 1.00 63.42 H new ATOM 0 HG2 GLU A 43 -19.603 2.533 -15.278 1.00 73.22 H new ATOM 0 HG3 GLU A 43 -18.177 3.463 -14.861 1.00 73.22 H new ATOM 684 N GLN A 44 -17.452 2.754 -11.525 1.00 33.53 N ATOM 685 CA GLN A 44 -17.000 4.041 -11.049 1.00 71.42 C ATOM 686 C GLN A 44 -15.507 3.956 -10.773 1.00 31.43 C ATOM 687 O GLN A 44 -15.060 2.976 -10.169 1.00 40.02 O ATOM 688 CB GLN A 44 -17.762 4.412 -9.766 1.00 52.44 C ATOM 689 CG GLN A 44 -17.602 5.910 -9.481 1.00 54.13 C ATOM 690 CD GLN A 44 -17.240 6.271 -8.048 1.00 24.24 C ATOM 691 OE1 GLN A 44 -17.720 7.261 -7.521 1.00 0.24 O ATOM 692 NE2 GLN A 44 -16.339 5.548 -7.400 1.00 40.31 N ATOM 0 H GLN A 44 -16.889 1.970 -11.196 1.00 33.53 H new ATOM 0 HA GLN A 44 -17.189 4.810 -11.798 1.00 71.42 H new ATOM 0 HB2 GLN A 44 -18.818 4.164 -9.875 1.00 52.44 H new ATOM 0 HB3 GLN A 44 -17.383 3.830 -8.926 1.00 52.44 H new ATOM 0 HG2 GLN A 44 -16.832 6.307 -10.142 1.00 54.13 H new ATOM 0 HG3 GLN A 44 -18.534 6.412 -9.739 1.00 54.13 H new ATOM 0 HE21 GLN A 44 -15.937 4.720 -7.840 1.00 40.31 H new ATOM 0 HE22 GLN A 44 -16.047 5.819 -6.461 1.00 40.31 H new ATOM 701 N THR A 45 -14.748 5.006 -11.090 1.00 20.52 N ATOM 702 CA THR A 45 -13.426 5.195 -10.508 1.00 71.33 C ATOM 703 C THR A 45 -13.288 6.586 -9.901 1.00 53.23 C ATOM 704 O THR A 45 -13.985 7.528 -10.297 1.00 42.14 O ATOM 705 CB THR A 45 -12.308 4.843 -11.505 1.00 44.30 C ATOM 706 OG1 THR A 45 -12.305 5.702 -12.621 1.00 75.13 O ATOM 707 CG2 THR A 45 -12.372 3.398 -11.988 1.00 71.54 C ATOM 0 H THR A 45 -15.029 5.735 -11.746 1.00 20.52 H new ATOM 0 HA THR A 45 -13.311 4.491 -9.684 1.00 71.33 H new ATOM 0 HB THR A 45 -11.381 4.975 -10.947 1.00 44.30 H new ATOM 0 HG1 THR A 45 -11.580 5.446 -13.229 1.00 75.13 H new ATOM 0 HG21 THR A 45 -11.558 3.212 -12.688 1.00 71.54 H new ATOM 0 HG22 THR A 45 -12.278 2.725 -11.136 1.00 71.54 H new ATOM 0 HG23 THR A 45 -13.326 3.223 -12.486 1.00 71.54 H new ATOM 715 N PHE A 46 -12.409 6.688 -8.906 1.00 2.23 N ATOM 716 CA PHE A 46 -12.181 7.852 -8.060 1.00 11.32 C ATOM 717 C PHE A 46 -10.670 8.056 -7.879 1.00 21.21 C ATOM 718 O PHE A 46 -9.919 7.075 -7.828 1.00 54.13 O ATOM 719 CB PHE A 46 -12.860 7.649 -6.687 1.00 63.22 C ATOM 720 CG PHE A 46 -13.996 8.595 -6.363 1.00 4.45 C ATOM 721 CD1 PHE A 46 -15.038 8.791 -7.282 1.00 61.10 C ATOM 722 CD2 PHE A 46 -14.052 9.226 -5.105 1.00 24.51 C ATOM 723 CE1 PHE A 46 -16.120 9.625 -6.954 1.00 74.34 C ATOM 724 CE2 PHE A 46 -15.154 10.027 -4.761 1.00 40.41 C ATOM 725 CZ PHE A 46 -16.193 10.220 -5.686 1.00 34.24 C ATOM 0 H PHE A 46 -11.800 5.909 -8.655 1.00 2.23 H new ATOM 0 HA PHE A 46 -12.611 8.736 -8.532 1.00 11.32 H new ATOM 0 HB2 PHE A 46 -13.239 6.628 -6.638 1.00 63.22 H new ATOM 0 HB3 PHE A 46 -12.101 7.745 -5.911 1.00 63.22 H new ATOM 0 HD1 PHE A 46 -15.008 8.300 -8.243 1.00 61.10 H new ATOM 0 HD2 PHE A 46 -13.244 9.093 -4.401 1.00 24.51 H new ATOM 0 HE1 PHE A 46 -16.898 9.808 -7.680 1.00 74.34 H new ATOM 0 HE2 PHE A 46 -15.202 10.493 -3.788 1.00 40.41 H new ATOM 0 HZ PHE A 46 -17.047 10.826 -5.421 1.00 34.24 H new ATOM 735 N PRO A 47 -10.208 9.308 -7.735 1.00 61.31 N ATOM 736 CA PRO A 47 -8.793 9.637 -7.696 1.00 42.40 C ATOM 737 C PRO A 47 -8.194 9.272 -6.332 1.00 54.50 C ATOM 738 O PRO A 47 -8.594 9.808 -5.299 1.00 44.24 O ATOM 739 CB PRO A 47 -8.734 11.135 -8.005 1.00 71.44 C ATOM 740 CG PRO A 47 -10.051 11.670 -7.446 1.00 60.04 C ATOM 741 CD PRO A 47 -11.022 10.513 -7.645 1.00 34.33 C ATOM 0 HA PRO A 47 -8.199 9.076 -8.417 1.00 42.40 H new ATOM 0 HB2 PRO A 47 -7.875 11.609 -7.530 1.00 71.44 H new ATOM 0 HB3 PRO A 47 -8.648 11.320 -9.076 1.00 71.44 H new ATOM 0 HG2 PRO A 47 -9.960 11.940 -6.394 1.00 60.04 H new ATOM 0 HG3 PRO A 47 -10.378 12.564 -7.977 1.00 60.04 H new ATOM 0 HD2 PRO A 47 -11.724 10.447 -6.814 1.00 34.33 H new ATOM 0 HD3 PRO A 47 -11.612 10.652 -8.551 1.00 34.33 H new ATOM 749 N PHE A 48 -7.223 8.363 -6.326 1.00 3.52 N ATOM 750 CA PHE A 48 -6.497 7.861 -5.163 1.00 71.11 C ATOM 751 C PHE A 48 -5.377 8.852 -4.804 1.00 31.35 C ATOM 752 O PHE A 48 -4.185 8.559 -4.922 1.00 64.34 O ATOM 753 CB PHE A 48 -6.010 6.437 -5.515 1.00 11.22 C ATOM 754 CG PHE A 48 -5.893 5.446 -4.372 1.00 54.41 C ATOM 755 CD1 PHE A 48 -5.146 5.750 -3.221 1.00 24.13 C ATOM 756 CD2 PHE A 48 -6.521 4.189 -4.477 1.00 14.53 C ATOM 757 CE1 PHE A 48 -5.045 4.812 -2.177 1.00 11.23 C ATOM 758 CE2 PHE A 48 -6.432 3.260 -3.430 1.00 20.12 C ATOM 759 CZ PHE A 48 -5.699 3.573 -2.275 1.00 32.03 C ATOM 0 H PHE A 48 -6.901 7.929 -7.191 1.00 3.52 H new ATOM 0 HA PHE A 48 -7.115 7.785 -4.268 1.00 71.11 H new ATOM 0 HB2 PHE A 48 -6.691 6.020 -6.256 1.00 11.22 H new ATOM 0 HB3 PHE A 48 -5.033 6.521 -5.991 1.00 11.22 H new ATOM 0 HD1 PHE A 48 -4.649 6.705 -3.138 1.00 24.13 H new ATOM 0 HD2 PHE A 48 -7.075 3.939 -5.370 1.00 14.53 H new ATOM 0 HE1 PHE A 48 -4.463 5.046 -1.298 1.00 11.23 H new ATOM 0 HE2 PHE A 48 -6.927 2.304 -3.513 1.00 20.12 H new ATOM 0 HZ PHE A 48 -5.638 2.863 -1.464 1.00 32.03 H new ATOM 769 N THR A 49 -5.752 10.072 -4.417 1.00 71.32 N ATOM 770 CA THR A 49 -4.834 11.075 -3.895 1.00 13.14 C ATOM 771 C THR A 49 -4.430 10.753 -2.444 1.00 1.31 C ATOM 772 O THR A 49 -4.937 9.810 -1.832 1.00 12.22 O ATOM 773 CB THR A 49 -5.467 12.468 -4.023 1.00 12.44 C ATOM 774 OG1 THR A 49 -6.674 12.542 -3.300 1.00 54.12 O ATOM 775 CG2 THR A 49 -5.748 12.829 -5.483 1.00 21.21 C ATOM 0 H THR A 49 -6.719 10.392 -4.460 1.00 71.32 H new ATOM 0 HA THR A 49 -3.916 11.064 -4.483 1.00 13.14 H new ATOM 0 HB THR A 49 -4.747 13.177 -3.613 1.00 12.44 H new ATOM 0 HG1 THR A 49 -7.058 13.439 -3.395 1.00 54.12 H new ATOM 0 HG21 THR A 49 -6.196 13.822 -5.533 1.00 21.21 H new ATOM 0 HG22 THR A 49 -4.814 12.823 -6.045 1.00 21.21 H new ATOM 0 HG23 THR A 49 -6.435 12.099 -5.913 1.00 21.21 H new ATOM 783 N ARG A 50 -3.522 11.545 -1.858 1.00 74.43 N ATOM 784 CA ARG A 50 -2.958 11.307 -0.525 1.00 52.12 C ATOM 785 C ARG A 50 -4.002 11.282 0.594 1.00 51.23 C ATOM 786 O ARG A 50 -3.802 10.601 1.593 1.00 0.25 O ATOM 787 CB ARG A 50 -1.867 12.358 -0.274 1.00 15.23 C ATOM 788 CG ARG A 50 -1.154 12.184 1.077 1.00 61.01 C ATOM 789 CD ARG A 50 0.150 12.986 1.116 1.00 42.31 C ATOM 790 NE ARG A 50 1.152 12.453 0.173 1.00 34.04 N ATOM 791 CZ ARG A 50 2.126 13.142 -0.431 1.00 12.52 C ATOM 792 NH1 ARG A 50 2.236 14.454 -0.262 1.00 34.02 N ATOM 793 NH2 ARG A 50 2.992 12.514 -1.208 1.00 62.14 N ATOM 0 H ARG A 50 -3.153 12.384 -2.306 1.00 74.43 H new ATOM 0 HA ARG A 50 -2.528 10.305 -0.508 1.00 52.12 H new ATOM 0 HB2 ARG A 50 -1.130 12.305 -1.075 1.00 15.23 H new ATOM 0 HB3 ARG A 50 -2.313 13.352 -0.316 1.00 15.23 H new ATOM 0 HG2 ARG A 50 -1.810 12.511 1.884 1.00 61.01 H new ATOM 0 HG3 ARG A 50 -0.941 11.129 1.247 1.00 61.01 H new ATOM 0 HD2 ARG A 50 -0.058 14.028 0.874 1.00 42.31 H new ATOM 0 HD3 ARG A 50 0.557 12.968 2.127 1.00 42.31 H new ATOM 0 HE ARG A 50 1.096 11.457 -0.040 1.00 34.04 H new ATOM 0 HH11 ARG A 50 1.573 14.949 0.335 1.00 34.02 H new ATOM 0 HH12 ARG A 50 2.984 14.967 -0.729 1.00 34.02 H new ATOM 0 HH21 ARG A 50 2.916 11.506 -1.346 1.00 62.14 H new ATOM 0 HH22 ARG A 50 3.736 13.037 -1.670 1.00 62.14 H new ATOM 807 N GLU A 51 -5.145 11.932 0.393 1.00 24.02 N ATOM 808 CA GLU A 51 -6.238 12.060 1.351 1.00 54.22 C ATOM 809 C GLU A 51 -6.876 10.714 1.719 1.00 31.35 C ATOM 810 O GLU A 51 -7.675 10.650 2.650 1.00 11.42 O ATOM 811 CB GLU A 51 -7.319 12.977 0.743 1.00 62.22 C ATOM 812 CG GLU A 51 -7.885 13.983 1.753 1.00 72.33 C ATOM 813 CD GLU A 51 -7.075 15.281 1.759 1.00 53.53 C ATOM 814 OE1 GLU A 51 -5.857 15.267 2.063 1.00 32.22 O ATOM 815 OE2 GLU A 51 -7.626 16.341 1.378 1.00 74.21 O ATOM 0 H GLU A 51 -5.343 12.408 -0.487 1.00 24.02 H new ATOM 0 HA GLU A 51 -5.823 12.479 2.268 1.00 54.22 H new ATOM 0 HB2 GLU A 51 -6.895 13.518 -0.103 1.00 62.22 H new ATOM 0 HB3 GLU A 51 -8.132 12.364 0.354 1.00 62.22 H new ATOM 0 HG2 GLU A 51 -8.924 14.202 1.508 1.00 72.33 H new ATOM 0 HG3 GLU A 51 -7.878 13.543 2.750 1.00 72.33 H new ATOM 822 N LYS A 52 -6.554 9.643 0.987 1.00 53.42 N ATOM 823 CA LYS A 52 -7.100 8.310 1.153 1.00 74.34 C ATOM 824 C LYS A 52 -5.934 7.324 1.159 1.00 54.13 C ATOM 825 O LYS A 52 -5.879 6.396 0.354 1.00 63.02 O ATOM 826 CB LYS A 52 -8.198 8.034 0.120 1.00 3.14 C ATOM 827 CG LYS A 52 -7.740 8.152 -1.332 1.00 20.33 C ATOM 828 CD LYS A 52 -8.233 9.427 -2.021 1.00 0.42 C ATOM 829 CE LYS A 52 -9.751 9.482 -2.233 1.00 33.05 C ATOM 830 NZ LYS A 52 -10.419 10.573 -1.488 1.00 43.50 N ATOM 0 H LYS A 52 -5.873 9.694 0.229 1.00 53.42 H new ATOM 0 HA LYS A 52 -7.615 8.196 2.107 1.00 74.34 H new ATOM 0 HB2 LYS A 52 -8.591 7.031 0.284 1.00 3.14 H new ATOM 0 HB3 LYS A 52 -9.020 8.730 0.287 1.00 3.14 H new ATOM 0 HG2 LYS A 52 -6.651 8.127 -1.365 1.00 20.33 H new ATOM 0 HG3 LYS A 52 -8.096 7.285 -1.889 1.00 20.33 H new ATOM 0 HD2 LYS A 52 -7.929 10.288 -1.426 1.00 0.42 H new ATOM 0 HD3 LYS A 52 -7.739 9.518 -2.988 1.00 0.42 H new ATOM 0 HE2 LYS A 52 -9.956 9.603 -3.297 1.00 33.05 H new ATOM 0 HE3 LYS A 52 -10.185 8.529 -1.931 1.00 33.05 H new ATOM 0 HZ1 LYS A 52 -11.441 10.549 -1.679 1.00 43.50 H new ATOM 0 HZ2 LYS A 52 -10.254 10.449 -0.469 1.00 43.50 H new ATOM 0 HZ3 LYS A 52 -10.032 11.489 -1.792 1.00 43.50 H new ATOM 844 N TRP A 53 -4.875 7.639 1.905 1.00 74.30 N ATOM 845 CA TRP A 53 -3.785 6.692 2.125 1.00 32.15 C ATOM 846 C TRP A 53 -4.083 5.813 3.358 1.00 22.42 C ATOM 847 O TRP A 53 -4.964 6.147 4.149 1.00 1.34 O ATOM 848 CB TRP A 53 -2.457 7.448 2.253 1.00 54.51 C ATOM 849 CG TRP A 53 -1.232 6.580 2.232 1.00 31.41 C ATOM 850 CD1 TRP A 53 -0.398 6.392 3.280 1.00 33.22 C ATOM 851 CD2 TRP A 53 -0.772 5.659 1.191 1.00 34.01 C ATOM 852 NE1 TRP A 53 0.523 5.406 2.975 1.00 75.12 N ATOM 853 CE2 TRP A 53 0.291 4.874 1.725 1.00 21.15 C ATOM 854 CE3 TRP A 53 -1.182 5.352 -0.126 1.00 32.23 C ATOM 855 CZ2 TRP A 53 0.873 3.814 1.014 1.00 20.44 C ATOM 856 CZ3 TRP A 53 -0.566 4.331 -0.871 1.00 3.54 C ATOM 857 CH2 TRP A 53 0.452 3.549 -0.299 1.00 52.11 C ATOM 0 H TRP A 53 -4.750 8.541 2.366 1.00 74.30 H new ATOM 0 HA TRP A 53 -3.699 6.023 1.269 1.00 32.15 H new ATOM 0 HB2 TRP A 53 -2.387 8.170 1.440 1.00 54.51 H new ATOM 0 HB3 TRP A 53 -2.467 8.016 3.184 1.00 54.51 H new ATOM 0 HD1 TRP A 53 -0.444 6.931 4.215 1.00 33.22 H new ATOM 0 HE1 TRP A 53 1.277 5.111 3.595 1.00 75.12 H new ATOM 0 HE3 TRP A 53 -1.989 5.916 -0.571 1.00 32.23 H new ATOM 0 HZ2 TRP A 53 1.639 3.206 1.473 1.00 20.44 H new ATOM 0 HZ3 TRP A 53 -0.877 4.147 -1.889 1.00 3.54 H new ATOM 0 HH2 TRP A 53 0.907 2.750 -0.865 1.00 52.11 H new ATOM 868 N ALA A 54 -3.330 4.728 3.566 1.00 11.33 N ATOM 869 CA ALA A 54 -3.275 3.973 4.819 1.00 51.41 C ATOM 870 C ALA A 54 -1.812 3.605 5.064 1.00 15.13 C ATOM 871 O ALA A 54 -1.099 3.383 4.092 1.00 71.30 O ATOM 872 CB ALA A 54 -4.149 2.716 4.735 1.00 23.32 C ATOM 0 H ALA A 54 -2.724 4.340 2.843 1.00 11.33 H new ATOM 0 HA ALA A 54 -3.660 4.572 5.644 1.00 51.41 H new ATOM 0 HB1 ALA A 54 -4.093 2.170 5.677 1.00 23.32 H new ATOM 0 HB2 ALA A 54 -5.183 3.004 4.543 1.00 23.32 H new ATOM 0 HB3 ALA A 54 -3.793 2.079 3.925 1.00 23.32 H new ATOM 878 N LEU A 55 -1.342 3.585 6.314 1.00 74.30 N ATOM 879 CA LEU A 55 0.083 3.439 6.646 1.00 3.11 C ATOM 880 C LEU A 55 0.452 1.990 6.901 1.00 70.23 C ATOM 881 O LEU A 55 -0.418 1.187 7.228 1.00 24.01 O ATOM 882 CB LEU A 55 0.419 4.279 7.899 1.00 20.15 C ATOM 883 CG LEU A 55 0.089 5.773 7.744 1.00 61.02 C ATOM 884 CD1 LEU A 55 0.241 6.570 9.037 1.00 35.22 C ATOM 885 CD2 LEU A 55 0.992 6.417 6.702 1.00 54.52 C ATOM 0 H LEU A 55 -1.943 3.670 7.134 1.00 74.30 H new ATOM 0 HA LEU A 55 0.660 3.793 5.792 1.00 3.11 H new ATOM 0 HB2 LEU A 55 -0.131 3.880 8.752 1.00 20.15 H new ATOM 0 HB3 LEU A 55 1.480 4.171 8.125 1.00 20.15 H new ATOM 0 HG LEU A 55 -0.957 5.803 7.441 1.00 61.02 H new ATOM 0 HD11 LEU A 55 -0.008 7.615 8.852 1.00 35.22 H new ATOM 0 HD12 LEU A 55 -0.430 6.166 9.795 1.00 35.22 H new ATOM 0 HD13 LEU A 55 1.270 6.499 9.389 1.00 35.22 H new ATOM 0 HD21 LEU A 55 0.742 7.474 6.607 1.00 54.52 H new ATOM 0 HD22 LEU A 55 2.033 6.316 7.010 1.00 54.52 H new ATOM 0 HD23 LEU A 55 0.849 5.923 5.741 1.00 54.52 H new ATOM 897 N LEU A 56 1.731 1.654 6.693 1.00 22.43 N ATOM 898 CA LEU A 56 2.187 0.270 6.653 1.00 44.54 C ATOM 899 C LEU A 56 3.314 0.075 7.664 1.00 2.52 C ATOM 900 O LEU A 56 4.063 1.021 7.937 1.00 42.33 O ATOM 901 CB LEU A 56 2.720 -0.022 5.248 1.00 24.14 C ATOM 902 CG LEU A 56 1.757 0.031 4.042 1.00 31.35 C ATOM 903 CD1 LEU A 56 0.920 -1.238 3.889 1.00 43.24 C ATOM 904 CD2 LEU A 56 0.920 1.268 3.846 1.00 63.13 C ATOM 0 H LEU A 56 2.474 2.338 6.548 1.00 22.43 H new ATOM 0 HA LEU A 56 1.364 -0.402 6.896 1.00 44.54 H new ATOM 0 HB2 LEU A 56 3.527 0.683 5.052 1.00 24.14 H new ATOM 0 HB3 LEU A 56 3.164 -1.017 5.268 1.00 24.14 H new ATOM 0 HG LEU A 56 2.472 0.096 3.222 1.00 31.35 H new ATOM 0 HD11 LEU A 56 0.264 -1.139 3.024 1.00 43.24 H new ATOM 0 HD12 LEU A 56 1.580 -2.094 3.748 1.00 43.24 H new ATOM 0 HD13 LEU A 56 0.319 -1.387 4.786 1.00 43.24 H new ATOM 0 HD21 LEU A 56 0.298 1.150 2.958 1.00 63.13 H new ATOM 0 HD22 LEU A 56 0.283 1.418 4.718 1.00 63.13 H new ATOM 0 HD23 LEU A 56 1.572 2.132 3.720 1.00 63.13 H new ATOM 916 N ASP A 57 3.508 -1.158 8.136 1.00 45.41 N ATOM 917 CA ASP A 57 4.448 -1.484 9.208 1.00 3.31 C ATOM 918 C ASP A 57 5.683 -2.239 8.717 1.00 10.44 C ATOM 919 O ASP A 57 5.803 -2.647 7.558 1.00 43.44 O ATOM 920 CB ASP A 57 3.761 -2.363 10.259 1.00 50.51 C ATOM 921 CG ASP A 57 4.144 -2.055 11.700 1.00 72.32 C ATOM 922 OD1 ASP A 57 5.209 -2.501 12.188 1.00 5.14 O ATOM 923 OD2 ASP A 57 3.366 -1.328 12.349 1.00 52.12 O ATOM 0 H ASP A 57 3.007 -1.971 7.777 1.00 45.41 H new ATOM 0 HA ASP A 57 4.768 -0.529 9.625 1.00 3.31 H new ATOM 0 HB2 ASP A 57 2.682 -2.254 10.154 1.00 50.51 H new ATOM 0 HB3 ASP A 57 3.998 -3.406 10.050 1.00 50.51 H new ATOM 928 N GLU A 58 6.561 -2.515 9.669 1.00 22.05 N ATOM 929 CA GLU A 58 7.758 -3.322 9.564 1.00 14.52 C ATOM 930 C GLU A 58 7.392 -4.780 9.283 1.00 41.11 C ATOM 931 O GLU A 58 8.052 -5.437 8.487 1.00 71.33 O ATOM 932 CB GLU A 58 8.564 -3.157 10.866 1.00 10.35 C ATOM 933 CG GLU A 58 9.636 -4.240 11.007 1.00 30.44 C ATOM 934 CD GLU A 58 10.775 -3.879 11.961 1.00 53.54 C ATOM 935 OE1 GLU A 58 10.539 -3.413 13.095 1.00 71.42 O ATOM 936 OE2 GLU A 58 11.948 -4.162 11.606 1.00 51.30 O ATOM 0 H GLU A 58 6.440 -2.147 10.613 1.00 22.05 H new ATOM 0 HA GLU A 58 8.376 -2.993 8.728 1.00 14.52 H new ATOM 0 HB2 GLU A 58 9.035 -2.174 10.881 1.00 10.35 H new ATOM 0 HB3 GLU A 58 7.889 -3.200 11.720 1.00 10.35 H new ATOM 0 HG2 GLU A 58 9.164 -5.159 11.355 1.00 30.44 H new ATOM 0 HG3 GLU A 58 10.055 -4.450 10.023 1.00 30.44 H new ATOM 943 N GLU A 59 6.324 -5.289 9.882 1.00 71.22 N ATOM 944 CA GLU A 59 5.822 -6.615 9.543 1.00 5.21 C ATOM 945 C GLU A 59 5.042 -6.614 8.226 1.00 45.32 C ATOM 946 O GLU A 59 4.956 -7.661 7.584 1.00 23.45 O ATOM 947 CB GLU A 59 4.873 -7.080 10.662 1.00 43.31 C ATOM 948 CG GLU A 59 5.594 -7.509 11.945 1.00 2.34 C ATOM 949 CD GLU A 59 5.631 -9.034 12.070 1.00 14.32 C ATOM 950 OE1 GLU A 59 6.213 -9.680 11.166 1.00 64.21 O ATOM 951 OE2 GLU A 59 5.077 -9.561 13.067 1.00 64.00 O ATOM 0 H GLU A 59 5.789 -4.806 10.604 1.00 71.22 H new ATOM 0 HA GLU A 59 6.678 -7.281 9.434 1.00 5.21 H new ATOM 0 HB2 GLU A 59 4.181 -6.272 10.898 1.00 43.31 H new ATOM 0 HB3 GLU A 59 4.275 -7.915 10.296 1.00 43.31 H new ATOM 0 HG2 GLU A 59 6.611 -7.116 11.944 1.00 2.34 H new ATOM 0 HG3 GLU A 59 5.088 -7.082 12.811 1.00 2.34 H new ATOM 958 N THR A 60 4.422 -5.493 7.848 1.00 1.51 N ATOM 959 CA THR A 60 3.513 -5.472 6.710 1.00 21.32 C ATOM 960 C THR A 60 4.325 -5.614 5.423 1.00 22.23 C ATOM 961 O THR A 60 4.086 -6.557 4.661 1.00 44.23 O ATOM 962 CB THR A 60 2.652 -4.196 6.723 1.00 11.12 C ATOM 963 OG1 THR A 60 2.169 -3.917 8.025 1.00 32.02 O ATOM 964 CG2 THR A 60 1.440 -4.333 5.806 1.00 54.23 C ATOM 0 H THR A 60 4.535 -4.593 8.315 1.00 1.51 H new ATOM 0 HA THR A 60 2.820 -6.311 6.771 1.00 21.32 H new ATOM 0 HB THR A 60 3.297 -3.388 6.376 1.00 11.12 H new ATOM 0 HG1 THR A 60 1.395 -3.319 7.966 1.00 32.02 H new ATOM 0 HG21 THR A 60 0.853 -3.415 5.839 1.00 54.23 H new ATOM 0 HG22 THR A 60 1.775 -4.514 4.785 1.00 54.23 H new ATOM 0 HG23 THR A 60 0.824 -5.169 6.139 1.00 54.23 H new ATOM 972 N LEU A 61 5.292 -4.716 5.173 1.00 54.10 N ATOM 973 CA LEU A 61 5.970 -4.638 3.873 1.00 42.22 C ATOM 974 C LEU A 61 7.229 -5.506 3.794 1.00 25.13 C ATOM 975 O LEU A 61 8.189 -5.164 3.097 1.00 13.41 O ATOM 976 CB LEU A 61 6.236 -3.170 3.505 1.00 4.24 C ATOM 977 CG LEU A 61 4.964 -2.348 3.252 1.00 10.22 C ATOM 978 CD1 LEU A 61 5.313 -0.868 3.437 1.00 53.31 C ATOM 979 CD2 LEU A 61 4.423 -2.590 1.841 1.00 30.43 C ATOM 0 H LEU A 61 5.621 -4.034 5.857 1.00 54.10 H new ATOM 0 HA LEU A 61 5.299 -5.060 3.125 1.00 42.22 H new ATOM 0 HB2 LEU A 61 6.804 -2.702 4.309 1.00 4.24 H new ATOM 0 HB3 LEU A 61 6.861 -3.138 2.612 1.00 4.24 H new ATOM 0 HG LEU A 61 4.188 -2.649 3.955 1.00 10.22 H new ATOM 0 HD11 LEU A 61 4.425 -0.260 3.263 1.00 53.31 H new ATOM 0 HD12 LEU A 61 5.672 -0.703 4.453 1.00 53.31 H new ATOM 0 HD13 LEU A 61 6.091 -0.586 2.727 1.00 53.31 H new ATOM 0 HD21 LEU A 61 3.522 -1.995 1.690 1.00 30.43 H new ATOM 0 HD22 LEU A 61 5.176 -2.301 1.108 1.00 30.43 H new ATOM 0 HD23 LEU A 61 4.185 -3.647 1.719 1.00 30.43 H new ATOM 991 N LYS A 62 7.234 -6.641 4.492 1.00 1.11 N ATOM 992 CA LYS A 62 8.424 -7.449 4.724 1.00 31.15 C ATOM 993 C LYS A 62 8.397 -8.690 3.860 1.00 31.43 C ATOM 994 O LYS A 62 7.332 -9.210 3.525 1.00 1.45 O ATOM 995 CB LYS A 62 8.497 -7.863 6.201 1.00 3.52 C ATOM 996 CG LYS A 62 9.814 -7.419 6.855 1.00 62.20 C ATOM 997 CD LYS A 62 10.090 -8.047 8.227 1.00 2.24 C ATOM 998 CE LYS A 62 10.586 -9.493 8.090 1.00 62.33 C ATOM 999 NZ LYS A 62 11.114 -10.020 9.368 1.00 54.41 N ATOM 0 H LYS A 62 6.393 -7.030 4.919 1.00 1.11 H new ATOM 0 HA LYS A 62 9.300 -6.853 4.467 1.00 31.15 H new ATOM 0 HB2 LYS A 62 7.658 -7.427 6.742 1.00 3.52 H new ATOM 0 HB3 LYS A 62 8.399 -8.946 6.280 1.00 3.52 H new ATOM 0 HG2 LYS A 62 10.638 -7.665 6.185 1.00 62.20 H new ATOM 0 HG3 LYS A 62 9.803 -6.334 6.962 1.00 62.20 H new ATOM 0 HD2 LYS A 62 10.835 -7.454 8.757 1.00 2.24 H new ATOM 0 HD3 LYS A 62 9.181 -8.028 8.828 1.00 2.24 H new ATOM 0 HE2 LYS A 62 9.768 -10.126 7.747 1.00 62.33 H new ATOM 0 HE3 LYS A 62 11.365 -9.539 7.329 1.00 62.33 H new ATOM 0 HZ1 LYS A 62 11.438 -10.999 9.232 1.00 54.41 H new ATOM 0 HZ2 LYS A 62 11.911 -9.431 9.683 1.00 54.41 H new ATOM 0 HZ3 LYS A 62 10.364 -10.001 10.088 1.00 54.41 H new ATOM 1013 N GLU A 63 9.583 -9.214 3.592 1.00 3.12 N ATOM 1014 CA GLU A 63 9.755 -10.474 2.890 1.00 22.11 C ATOM 1015 C GLU A 63 9.801 -11.583 3.943 1.00 22.11 C ATOM 1016 O GLU A 63 10.694 -11.603 4.795 1.00 4.42 O ATOM 1017 CB GLU A 63 11.007 -10.470 2.000 1.00 10.54 C ATOM 1018 CG GLU A 63 11.058 -9.314 0.994 1.00 12.22 C ATOM 1019 CD GLU A 63 12.417 -9.243 0.290 1.00 14.43 C ATOM 1020 OE1 GLU A 63 12.956 -10.304 -0.107 1.00 33.04 O ATOM 1021 OE2 GLU A 63 12.932 -8.120 0.093 1.00 42.50 O ATOM 0 H GLU A 63 10.462 -8.771 3.859 1.00 3.12 H new ATOM 0 HA GLU A 63 8.920 -10.641 2.210 1.00 22.11 H new ATOM 0 HB2 GLU A 63 11.891 -10.423 2.636 1.00 10.54 H new ATOM 0 HB3 GLU A 63 11.055 -11.413 1.456 1.00 10.54 H new ATOM 0 HG2 GLU A 63 10.269 -9.440 0.253 1.00 12.22 H new ATOM 0 HG3 GLU A 63 10.864 -8.373 1.509 1.00 12.22 H new ATOM 1028 N GLY A 64 8.820 -12.480 3.924 1.00 11.52 N ATOM 1029 CA GLY A 64 8.762 -13.649 4.790 1.00 45.34 C ATOM 1030 C GLY A 64 7.465 -14.426 4.580 1.00 43.43 C ATOM 1031 O GLY A 64 6.563 -13.982 3.863 1.00 32.35 O ATOM 0 H GLY A 64 8.024 -12.411 3.290 1.00 11.52 H new ATOM 0 HA2 GLY A 64 9.615 -14.297 4.588 1.00 45.34 H new ATOM 0 HA3 GLY A 64 8.838 -13.338 5.832 1.00 45.34 H new ATOM 1035 N ARG A 65 7.346 -15.590 5.211 1.00 63.02 N ATOM 1036 CA ARG A 65 6.082 -16.303 5.377 1.00 31.42 C ATOM 1037 C ARG A 65 5.743 -16.335 6.867 1.00 51.12 C ATOM 1038 O ARG A 65 6.626 -16.069 7.697 1.00 23.45 O ATOM 1039 CB ARG A 65 6.150 -17.703 4.759 1.00 32.03 C ATOM 1040 CG ARG A 65 7.097 -18.644 5.500 1.00 5.44 C ATOM 1041 CD ARG A 65 7.053 -20.039 4.898 1.00 72.23 C ATOM 1042 NE ARG A 65 7.768 -20.965 5.780 1.00 2.43 N ATOM 1043 CZ ARG A 65 7.494 -22.258 5.958 1.00 12.44 C ATOM 1044 NH1 ARG A 65 6.775 -22.941 5.075 1.00 31.04 N ATOM 1045 NH2 ARG A 65 7.971 -22.847 7.043 1.00 1.44 N ATOM 0 H ARG A 65 8.140 -16.074 5.630 1.00 63.02 H new ATOM 0 HA ARG A 65 5.284 -15.785 4.846 1.00 31.42 H new ATOM 0 HB2 ARG A 65 5.150 -18.138 4.750 1.00 32.03 H new ATOM 0 HB3 ARG A 65 6.471 -17.619 3.721 1.00 32.03 H new ATOM 0 HG2 ARG A 65 8.114 -18.255 5.453 1.00 5.44 H new ATOM 0 HG3 ARG A 65 6.821 -18.689 6.554 1.00 5.44 H new ATOM 0 HD2 ARG A 65 6.020 -20.362 4.772 1.00 72.23 H new ATOM 0 HD3 ARG A 65 7.508 -20.036 3.908 1.00 72.23 H new ATOM 0 HE ARG A 65 8.552 -20.584 6.310 1.00 2.43 H new ATOM 0 HH11 ARG A 65 6.419 -22.477 4.239 1.00 31.04 H new ATOM 0 HH12 ARG A 65 6.578 -23.929 5.233 1.00 31.04 H new ATOM 0 HH21 ARG A 65 8.528 -22.313 7.710 1.00 1.44 H new ATOM 0 HH22 ARG A 65 7.782 -23.835 7.212 1.00 1.44 H new ATOM 1059 N THR A 66 4.539 -16.767 7.228 1.00 24.13 N ATOM 1060 CA THR A 66 4.184 -17.017 8.615 1.00 51.33 C ATOM 1061 C THR A 66 3.418 -18.329 8.752 1.00 72.21 C ATOM 1062 O THR A 66 3.182 -19.039 7.770 1.00 53.24 O ATOM 1063 CB THR A 66 3.463 -15.790 9.196 1.00 32.34 C ATOM 1064 OG1 THR A 66 3.661 -15.794 10.596 1.00 30.01 O ATOM 1065 CG2 THR A 66 1.966 -15.745 8.903 1.00 34.25 C ATOM 0 H THR A 66 3.785 -16.952 6.566 1.00 24.13 H new ATOM 0 HA THR A 66 5.083 -17.153 9.217 1.00 51.33 H new ATOM 0 HB THR A 66 3.888 -14.908 8.716 1.00 32.34 H new ATOM 0 HG1 THR A 66 3.211 -15.019 10.992 1.00 30.01 H new ATOM 0 HG21 THR A 66 1.535 -14.848 9.348 1.00 34.25 H new ATOM 0 HG22 THR A 66 1.807 -15.728 7.825 1.00 34.25 H new ATOM 0 HG23 THR A 66 1.486 -16.627 9.326 1.00 34.25 H new ATOM 1146 N THR A 73 -1.410 -19.745 5.460 1.00 1.51 N ATOM 1147 CA THR A 73 0.027 -19.559 5.305 1.00 13.42 C ATOM 1148 C THR A 73 0.206 -18.177 4.658 1.00 63.23 C ATOM 1149 O THR A 73 0.067 -18.076 3.442 1.00 30.42 O ATOM 1150 CB THR A 73 0.602 -20.704 4.445 1.00 21.11 C ATOM 1151 OG1 THR A 73 0.321 -21.988 4.986 1.00 31.32 O ATOM 1152 CG2 THR A 73 2.117 -20.576 4.294 1.00 1.54 C ATOM 0 HA THR A 73 0.566 -19.591 6.252 1.00 13.42 H new ATOM 0 HB THR A 73 0.115 -20.614 3.474 1.00 21.11 H new ATOM 0 HG1 THR A 73 -0.500 -21.946 5.520 1.00 31.32 H new ATOM 0 HG21 THR A 73 2.492 -21.397 3.683 1.00 1.54 H new ATOM 0 HG22 THR A 73 2.356 -19.627 3.813 1.00 1.54 H new ATOM 0 HG23 THR A 73 2.585 -20.612 5.278 1.00 1.54 H new ATOM 1160 N TYR A 74 0.455 -17.108 5.426 1.00 64.03 N ATOM 1161 CA TYR A 74 0.725 -15.786 4.847 1.00 42.53 C ATOM 1162 C TYR A 74 2.133 -15.817 4.233 1.00 74.20 C ATOM 1163 O TYR A 74 3.037 -16.398 4.837 1.00 51.21 O ATOM 1164 CB TYR A 74 0.593 -14.637 5.885 1.00 45.41 C ATOM 1165 CG TYR A 74 -0.016 -13.318 5.390 1.00 12.42 C ATOM 1166 CD1 TYR A 74 0.098 -12.931 4.045 1.00 65.22 C ATOM 1167 CD2 TYR A 74 -0.698 -12.450 6.270 1.00 2.11 C ATOM 1168 CE1 TYR A 74 -0.426 -11.720 3.577 1.00 65.31 C ATOM 1169 CE2 TYR A 74 -1.200 -11.206 5.815 1.00 14.35 C ATOM 1170 CZ TYR A 74 -1.054 -10.828 4.461 1.00 74.00 C ATOM 1171 OH TYR A 74 -1.471 -9.625 3.974 1.00 24.23 O ATOM 0 H TYR A 74 0.475 -17.133 6.446 1.00 64.03 H new ATOM 0 HA TYR A 74 -0.023 -15.577 4.082 1.00 42.53 H new ATOM 0 HB2 TYR A 74 -0.012 -14.999 6.716 1.00 45.41 H new ATOM 0 HB3 TYR A 74 1.585 -14.424 6.283 1.00 45.41 H new ATOM 0 HD1 TYR A 74 0.604 -13.586 3.352 1.00 65.22 H new ATOM 0 HD2 TYR A 74 -0.839 -12.738 7.301 1.00 2.11 H new ATOM 0 HE1 TYR A 74 -0.347 -11.470 2.529 1.00 65.31 H new ATOM 0 HE2 TYR A 74 -1.697 -10.542 6.507 1.00 14.35 H new ATOM 0 HH TYR A 74 -1.889 -9.108 4.694 1.00 24.23 H new ATOM 1181 N ILE A 75 2.341 -15.215 3.055 1.00 64.10 N ATOM 1182 CA ILE A 75 3.589 -15.182 2.297 1.00 32.13 C ATOM 1183 C ILE A 75 3.716 -13.789 1.659 1.00 14.41 C ATOM 1184 O ILE A 75 3.202 -13.527 0.575 1.00 22.01 O ATOM 1185 CB ILE A 75 3.605 -16.330 1.260 1.00 42.21 C ATOM 1186 CG1 ILE A 75 3.429 -17.696 1.958 1.00 3.42 C ATOM 1187 CG2 ILE A 75 4.921 -16.321 0.464 1.00 62.21 C ATOM 1188 CD1 ILE A 75 3.393 -18.899 1.032 1.00 1.41 C ATOM 0 H ILE A 75 1.594 -14.708 2.580 1.00 64.10 H new ATOM 0 HA ILE A 75 4.454 -15.343 2.940 1.00 32.13 H new ATOM 0 HB ILE A 75 2.774 -16.174 0.572 1.00 42.21 H new ATOM 0 HG12 ILE A 75 4.244 -17.830 2.669 1.00 3.42 H new ATOM 0 HG13 ILE A 75 2.504 -17.674 2.534 1.00 3.42 H new ATOM 0 HG21 ILE A 75 4.914 -17.136 -0.260 1.00 62.21 H new ATOM 0 HG22 ILE A 75 5.023 -15.371 -0.060 1.00 62.21 H new ATOM 0 HG23 ILE A 75 5.760 -16.451 1.147 1.00 62.21 H new ATOM 0 HD11 ILE A 75 3.266 -19.808 1.621 1.00 1.41 H new ATOM 0 HD12 ILE A 75 2.560 -18.798 0.337 1.00 1.41 H new ATOM 0 HD13 ILE A 75 4.327 -18.956 0.473 1.00 1.41 H new ATOM 1200 N SER A 76 4.390 -12.858 2.326 1.00 54.11 N ATOM 1201 CA SER A 76 4.637 -11.515 1.803 1.00 62.04 C ATOM 1202 C SER A 76 6.038 -11.496 1.180 1.00 45.22 C ATOM 1203 O SER A 76 6.988 -11.996 1.783 1.00 22.13 O ATOM 1204 CB SER A 76 4.481 -10.503 2.942 1.00 31.11 C ATOM 1205 OG SER A 76 3.185 -10.591 3.520 1.00 3.25 O ATOM 0 H SER A 76 4.785 -13.014 3.254 1.00 54.11 H new ATOM 0 HA SER A 76 3.921 -11.242 1.028 1.00 62.04 H new ATOM 0 HB2 SER A 76 5.238 -10.687 3.705 1.00 31.11 H new ATOM 0 HB3 SER A 76 4.648 -9.494 2.564 1.00 31.11 H new ATOM 0 HG SER A 76 3.106 -9.938 4.246 1.00 3.25 H new ATOM 1211 N HIS A 77 6.197 -11.008 -0.048 1.00 71.33 N ATOM 1212 CA HIS A 77 7.486 -10.914 -0.735 1.00 41.22 C ATOM 1213 C HIS A 77 7.400 -9.853 -1.820 1.00 21.45 C ATOM 1214 O HIS A 77 6.318 -9.410 -2.202 1.00 12.43 O ATOM 1215 CB HIS A 77 7.965 -12.273 -1.304 1.00 63.33 C ATOM 1216 CG HIS A 77 7.034 -13.100 -2.176 1.00 23.34 C ATOM 1217 ND1 HIS A 77 7.413 -14.255 -2.834 1.00 32.04 N ATOM 1218 CD2 HIS A 77 5.705 -12.900 -2.461 1.00 62.30 C ATOM 1219 CE1 HIS A 77 6.345 -14.746 -3.479 1.00 3.14 C ATOM 1220 NE2 HIS A 77 5.279 -13.963 -3.266 1.00 62.30 N ATOM 0 H HIS A 77 5.418 -10.659 -0.606 1.00 71.33 H new ATOM 0 HA HIS A 77 8.238 -10.622 -0.002 1.00 41.22 H new ATOM 0 HB2 HIS A 77 8.868 -12.082 -1.883 1.00 63.33 H new ATOM 0 HB3 HIS A 77 8.255 -12.895 -0.457 1.00 63.33 H new ATOM 0 HD2 HIS A 77 5.098 -12.072 -2.125 1.00 62.30 H new ATOM 0 HE1 HIS A 77 6.344 -15.642 -4.082 1.00 3.14 H new ATOM 0 HE2 HIS A 77 4.335 -14.113 -3.623 1.00 62.30 H new ATOM 1228 N PHE A 78 8.562 -9.443 -2.318 1.00 5.21 N ATOM 1229 CA PHE A 78 8.632 -8.792 -3.606 1.00 70.00 C ATOM 1230 C PHE A 78 8.865 -9.903 -4.623 1.00 3.33 C ATOM 1231 O PHE A 78 9.561 -10.883 -4.330 1.00 24.14 O ATOM 1232 CB PHE A 78 9.723 -7.720 -3.620 1.00 44.14 C ATOM 1233 CG PHE A 78 11.099 -8.249 -3.910 1.00 65.44 C ATOM 1234 CD1 PHE A 78 11.760 -9.049 -2.967 1.00 74.41 C ATOM 1235 CD2 PHE A 78 11.669 -8.011 -5.170 1.00 23.45 C ATOM 1236 CE1 PHE A 78 13.006 -9.619 -3.295 1.00 22.05 C ATOM 1237 CE2 PHE A 78 12.909 -8.577 -5.491 1.00 50.11 C ATOM 1238 CZ PHE A 78 13.568 -9.399 -4.566 1.00 3.51 C ATOM 0 H PHE A 78 9.460 -9.553 -1.846 1.00 5.21 H new ATOM 0 HA PHE A 78 7.715 -8.255 -3.847 1.00 70.00 H new ATOM 0 HB2 PHE A 78 9.469 -6.968 -4.368 1.00 44.14 H new ATOM 0 HB3 PHE A 78 9.735 -7.217 -2.653 1.00 44.14 H new ATOM 0 HD1 PHE A 78 11.318 -9.227 -1.998 1.00 74.41 H new ATOM 0 HD2 PHE A 78 11.153 -7.393 -5.890 1.00 23.45 H new ATOM 0 HE1 PHE A 78 13.530 -10.225 -2.571 1.00 22.05 H new ATOM 0 HE2 PHE A 78 13.359 -8.380 -6.453 1.00 50.11 H new ATOM 0 HZ PHE A 78 14.507 -9.863 -4.829 1.00 3.51 H new ATOM 1248 N THR A 79 8.275 -9.747 -5.796 1.00 45.54 N ATOM 1249 CA THR A 79 8.127 -10.797 -6.794 1.00 21.45 C ATOM 1250 C THR A 79 8.737 -10.371 -8.133 1.00 65.11 C ATOM 1251 O THR A 79 8.650 -11.103 -9.124 1.00 1.43 O ATOM 1252 CB THR A 79 6.620 -11.084 -6.889 1.00 30.12 C ATOM 1253 OG1 THR A 79 5.914 -9.863 -6.975 1.00 45.44 O ATOM 1254 CG2 THR A 79 6.122 -11.811 -5.637 1.00 2.35 C ATOM 0 H THR A 79 7.872 -8.858 -6.091 1.00 45.54 H new ATOM 0 HA THR A 79 8.663 -11.704 -6.514 1.00 21.45 H new ATOM 0 HB THR A 79 6.453 -11.704 -7.770 1.00 30.12 H new ATOM 0 HG1 THR A 79 5.037 -10.020 -7.383 1.00 45.44 H new ATOM 0 HG21 THR A 79 5.053 -12.003 -5.729 1.00 2.35 H new ATOM 0 HG22 THR A 79 6.652 -12.757 -5.531 1.00 2.35 H new ATOM 0 HG23 THR A 79 6.306 -11.191 -4.759 1.00 2.35 H new ATOM 1262 N VAL A 80 9.362 -9.190 -8.164 1.00 34.23 N ATOM 1263 CA VAL A 80 9.831 -8.490 -9.348 1.00 5.35 C ATOM 1264 C VAL A 80 11.243 -8.011 -9.040 1.00 70.22 C ATOM 1265 O VAL A 80 11.414 -7.055 -8.289 1.00 32.15 O ATOM 1266 CB VAL A 80 8.845 -7.347 -9.691 1.00 11.41 C ATOM 1267 CG1 VAL A 80 9.313 -6.518 -10.891 1.00 45.11 C ATOM 1268 CG2 VAL A 80 7.438 -7.896 -9.970 1.00 64.31 C ATOM 0 H VAL A 80 9.563 -8.672 -7.308 1.00 34.23 H new ATOM 0 HA VAL A 80 9.867 -9.125 -10.233 1.00 5.35 H new ATOM 0 HB VAL A 80 8.814 -6.696 -8.818 1.00 11.41 H new ATOM 0 HG11 VAL A 80 8.589 -5.729 -11.093 1.00 45.11 H new ATOM 0 HG12 VAL A 80 10.283 -6.072 -10.669 1.00 45.11 H new ATOM 0 HG13 VAL A 80 9.401 -7.162 -11.766 1.00 45.11 H new ATOM 0 HG21 VAL A 80 6.766 -7.071 -10.208 1.00 64.31 H new ATOM 0 HG22 VAL A 80 7.477 -8.587 -10.812 1.00 64.31 H new ATOM 0 HG23 VAL A 80 7.070 -8.420 -9.088 1.00 64.31 H new ATOM 1278 N ASN A 81 12.252 -8.705 -9.568 1.00 22.44 N ATOM 1279 CA ASN A 81 13.659 -8.401 -9.349 1.00 22.24 C ATOM 1280 C ASN A 81 14.224 -7.718 -10.587 1.00 51.30 C ATOM 1281 O ASN A 81 14.973 -8.299 -11.372 1.00 25.31 O ATOM 1282 CB ASN A 81 14.414 -9.680 -8.975 1.00 23.23 C ATOM 1283 CG ASN A 81 15.903 -9.402 -8.779 1.00 72.41 C ATOM 1284 OD1 ASN A 81 16.742 -9.914 -9.512 1.00 63.20 O ATOM 1285 ND2 ASN A 81 16.292 -8.568 -7.833 1.00 50.32 N ATOM 0 H ASN A 81 12.106 -9.513 -10.174 1.00 22.44 H new ATOM 0 HA ASN A 81 13.778 -7.710 -8.514 1.00 22.24 H new ATOM 0 HB2 ASN A 81 13.995 -10.099 -8.060 1.00 23.23 H new ATOM 0 HB3 ASN A 81 14.280 -10.427 -9.757 1.00 23.23 H new ATOM 0 HD21 ASN A 81 17.283 -8.355 -7.717 1.00 50.32 H new ATOM 0 HD22 ASN A 81 15.602 -8.137 -7.218 1.00 50.32 H new ATOM 1292 N GLU A 82 13.869 -6.453 -10.754 1.00 54.10 N ATOM 1293 CA GLU A 82 14.205 -5.603 -11.890 1.00 40.41 C ATOM 1294 C GLU A 82 15.026 -4.412 -11.358 1.00 31.04 C ATOM 1295 O GLU A 82 14.861 -4.035 -10.192 1.00 42.53 O ATOM 1296 CB GLU A 82 12.881 -5.156 -12.530 1.00 55.12 C ATOM 1297 CG GLU A 82 12.448 -5.900 -13.792 1.00 31.31 C ATOM 1298 CD GLU A 82 13.284 -5.533 -15.014 1.00 73.10 C ATOM 1299 OE1 GLU A 82 13.263 -4.354 -15.429 1.00 0.14 O ATOM 1300 OE2 GLU A 82 13.980 -6.427 -15.554 1.00 24.25 O ATOM 0 H GLU A 82 13.305 -5.962 -10.060 1.00 54.10 H new ATOM 0 HA GLU A 82 14.801 -6.115 -12.645 1.00 40.41 H new ATOM 0 HB2 GLU A 82 12.091 -5.258 -11.786 1.00 55.12 H new ATOM 0 HB3 GLU A 82 12.959 -4.095 -12.769 1.00 55.12 H new ATOM 0 HG2 GLU A 82 12.520 -6.974 -13.618 1.00 31.31 H new ATOM 0 HG3 GLU A 82 11.400 -5.680 -13.996 1.00 31.31 H new ATOM 1307 N PRO A 83 15.915 -3.810 -12.166 1.00 20.31 N ATOM 1308 CA PRO A 83 16.927 -2.880 -11.681 1.00 34.24 C ATOM 1309 C PRO A 83 16.396 -1.526 -11.193 1.00 24.23 C ATOM 1310 O PRO A 83 17.161 -0.815 -10.545 1.00 0.23 O ATOM 1311 CB PRO A 83 17.898 -2.704 -12.853 1.00 42.14 C ATOM 1312 CG PRO A 83 17.048 -2.985 -14.080 1.00 42.53 C ATOM 1313 CD PRO A 83 16.166 -4.116 -13.565 1.00 44.21 C ATOM 0 HA PRO A 83 17.394 -3.292 -10.786 1.00 34.24 H new ATOM 0 HB2 PRO A 83 18.315 -1.697 -12.878 1.00 42.14 H new ATOM 0 HB3 PRO A 83 18.738 -3.395 -12.783 1.00 42.14 H new ATOM 0 HG2 PRO A 83 16.467 -2.116 -14.388 1.00 42.53 H new ATOM 0 HG3 PRO A 83 17.648 -3.287 -14.938 1.00 42.53 H new ATOM 0 HD2 PRO A 83 15.234 -4.173 -14.127 1.00 44.21 H new ATOM 0 HD3 PRO A 83 16.663 -5.080 -13.672 1.00 44.21 H new ATOM 1321 N ALA A 84 15.162 -1.121 -11.513 1.00 40.42 N ATOM 1322 CA ALA A 84 14.603 0.148 -11.032 1.00 32.41 C ATOM 1323 C ALA A 84 13.073 0.142 -10.933 1.00 52.52 C ATOM 1324 O ALA A 84 12.464 1.178 -10.675 1.00 73.20 O ATOM 1325 CB ALA A 84 15.065 1.288 -11.951 1.00 13.33 C ATOM 0 H ALA A 84 14.528 -1.657 -12.106 1.00 40.42 H new ATOM 0 HA ALA A 84 14.975 0.296 -10.018 1.00 32.41 H new ATOM 0 HB1 ALA A 84 14.651 2.232 -11.596 1.00 13.33 H new ATOM 0 HB2 ALA A 84 16.154 1.343 -11.943 1.00 13.33 H new ATOM 0 HB3 ALA A 84 14.719 1.099 -12.967 1.00 13.33 H new ATOM 1331 N HIS A 85 12.413 -0.991 -11.129 1.00 40.23 N ATOM 1332 CA HIS A 85 10.966 -1.094 -11.068 1.00 15.41 C ATOM 1333 C HIS A 85 10.728 -2.391 -10.336 1.00 62.43 C ATOM 1334 O HIS A 85 11.115 -3.436 -10.836 1.00 13.21 O ATOM 1335 CB HIS A 85 10.385 -1.080 -12.492 1.00 0.33 C ATOM 1336 CG HIS A 85 9.026 -1.720 -12.653 1.00 3.33 C ATOM 1337 ND1 HIS A 85 8.006 -1.802 -11.725 1.00 0.34 N ATOM 1338 CD2 HIS A 85 8.645 -2.436 -13.753 1.00 23.01 C ATOM 1339 CE1 HIS A 85 7.044 -2.576 -12.258 1.00 73.22 C ATOM 1340 NE2 HIS A 85 7.376 -2.963 -13.504 1.00 74.43 N ATOM 0 H HIS A 85 12.876 -1.875 -11.338 1.00 40.23 H new ATOM 0 HA HIS A 85 10.476 -0.266 -10.556 1.00 15.41 H new ATOM 0 HB2 HIS A 85 10.321 -0.045 -12.828 1.00 0.33 H new ATOM 0 HB3 HIS A 85 11.086 -1.587 -13.155 1.00 0.33 H new ATOM 0 HD2 HIS A 85 9.223 -2.570 -14.655 1.00 23.01 H new ATOM 0 HE1 HIS A 85 6.129 -2.850 -11.754 1.00 73.22 H new ATOM 0 HE2 HIS A 85 6.813 -3.528 -14.139 1.00 74.43 H new ATOM 1348 N LYS A 86 10.172 -2.347 -9.131 1.00 35.04 N ATOM 1349 CA LYS A 86 9.851 -3.562 -8.396 1.00 3.13 C ATOM 1350 C LYS A 86 8.441 -3.430 -7.868 1.00 53.21 C ATOM 1351 O LYS A 86 7.855 -2.347 -7.885 1.00 42.11 O ATOM 1352 CB LYS A 86 10.899 -3.850 -7.304 1.00 32.22 C ATOM 1353 CG LYS A 86 12.296 -4.092 -7.906 1.00 72.14 C ATOM 1354 CD LYS A 86 13.290 -4.781 -6.965 1.00 31.21 C ATOM 1355 CE LYS A 86 13.748 -3.892 -5.806 1.00 34.45 C ATOM 1356 NZ LYS A 86 12.887 -4.002 -4.607 1.00 74.14 N ATOM 0 H LYS A 86 9.935 -1.483 -8.643 1.00 35.04 H new ATOM 0 HA LYS A 86 9.889 -4.432 -9.051 1.00 3.13 H new ATOM 0 HB2 LYS A 86 10.942 -3.010 -6.610 1.00 32.22 H new ATOM 0 HB3 LYS A 86 10.594 -4.724 -6.728 1.00 32.22 H new ATOM 0 HG2 LYS A 86 12.189 -4.698 -8.806 1.00 72.14 H new ATOM 0 HG3 LYS A 86 12.714 -3.134 -8.215 1.00 72.14 H new ATOM 0 HD2 LYS A 86 12.831 -5.683 -6.561 1.00 31.21 H new ATOM 0 HD3 LYS A 86 14.162 -5.096 -7.538 1.00 31.21 H new ATOM 0 HE2 LYS A 86 14.770 -4.157 -5.536 1.00 34.45 H new ATOM 0 HE3 LYS A 86 13.765 -2.854 -6.138 1.00 34.45 H new ATOM 0 HZ1 LYS A 86 12.771 -3.063 -4.176 1.00 74.14 H new ATOM 0 HZ2 LYS A 86 11.956 -4.375 -4.881 1.00 74.14 H new ATOM 0 HZ3 LYS A 86 13.329 -4.646 -3.920 1.00 74.14 H new ATOM 1370 N GLU A 87 7.879 -4.530 -7.396 1.00 41.44 N ATOM 1371 CA GLU A 87 6.548 -4.543 -6.823 1.00 70.11 C ATOM 1372 C GLU A 87 6.612 -5.285 -5.488 1.00 23.24 C ATOM 1373 O GLU A 87 7.703 -5.621 -5.021 1.00 3.43 O ATOM 1374 CB GLU A 87 5.515 -5.101 -7.808 1.00 63.41 C ATOM 1375 CG GLU A 87 5.550 -4.490 -9.219 1.00 53.22 C ATOM 1376 CD GLU A 87 4.327 -4.828 -10.094 1.00 52.41 C ATOM 1377 OE1 GLU A 87 3.299 -5.372 -9.623 1.00 43.30 O ATOM 1378 OE2 GLU A 87 4.397 -4.555 -11.312 1.00 51.21 O ATOM 0 H GLU A 87 8.337 -5.442 -7.400 1.00 41.44 H new ATOM 0 HA GLU A 87 6.202 -3.529 -6.624 1.00 70.11 H new ATOM 0 HB2 GLU A 87 5.664 -6.177 -7.893 1.00 63.41 H new ATOM 0 HB3 GLU A 87 4.520 -4.949 -7.389 1.00 63.41 H new ATOM 0 HG2 GLU A 87 5.628 -3.406 -9.130 1.00 53.22 H new ATOM 0 HG3 GLU A 87 6.451 -4.834 -9.728 1.00 53.22 H new ATOM 1385 N PHE A 88 5.494 -5.446 -4.786 1.00 74.42 N ATOM 1386 CA PHE A 88 5.433 -6.161 -3.520 1.00 74.40 C ATOM 1387 C PHE A 88 4.040 -6.744 -3.376 1.00 62.34 C ATOM 1388 O PHE A 88 3.063 -6.014 -3.515 1.00 53.54 O ATOM 1389 CB PHE A 88 5.790 -5.243 -2.349 1.00 25.04 C ATOM 1390 CG PHE A 88 5.732 -5.919 -0.986 1.00 44.43 C ATOM 1391 CD1 PHE A 88 6.845 -6.622 -0.466 1.00 21.05 C ATOM 1392 CD2 PHE A 88 4.544 -5.835 -0.233 1.00 74.10 C ATOM 1393 CE1 PHE A 88 6.769 -7.192 0.822 1.00 31.04 C ATOM 1394 CE2 PHE A 88 4.462 -6.436 1.034 1.00 12.53 C ATOM 1395 CZ PHE A 88 5.573 -7.114 1.555 1.00 61.22 C ATOM 0 H PHE A 88 4.592 -5.077 -5.088 1.00 74.42 H new ATOM 0 HA PHE A 88 6.166 -6.967 -3.509 1.00 74.40 H new ATOM 0 HB2 PHE A 88 6.794 -4.849 -2.504 1.00 25.04 H new ATOM 0 HB3 PHE A 88 5.110 -4.391 -2.349 1.00 25.04 H new ATOM 0 HD1 PHE A 88 7.747 -6.721 -1.052 1.00 21.05 H new ATOM 0 HD2 PHE A 88 3.692 -5.306 -0.632 1.00 74.10 H new ATOM 0 HE1 PHE A 88 7.630 -7.688 1.245 1.00 31.04 H new ATOM 0 HE2 PHE A 88 3.547 -6.376 1.604 1.00 12.53 H new ATOM 0 HZ PHE A 88 5.509 -7.580 2.527 1.00 61.22 H new ATOM 1405 N GLU A 89 3.966 -8.039 -3.089 1.00 70.42 N ATOM 1406 CA GLU A 89 2.769 -8.862 -3.109 1.00 71.22 C ATOM 1407 C GLU A 89 2.689 -9.527 -1.740 1.00 13.23 C ATOM 1408 O GLU A 89 3.541 -10.339 -1.364 1.00 30.32 O ATOM 1409 CB GLU A 89 2.850 -9.858 -4.292 1.00 25.43 C ATOM 1410 CG GLU A 89 2.395 -9.102 -5.555 1.00 50.51 C ATOM 1411 CD GLU A 89 2.728 -9.685 -6.936 1.00 42.30 C ATOM 1412 OE1 GLU A 89 3.476 -10.669 -7.041 1.00 42.33 O ATOM 1413 OE2 GLU A 89 2.302 -9.053 -7.945 1.00 10.53 O ATOM 0 H GLU A 89 4.793 -8.572 -2.820 1.00 70.42 H new ATOM 0 HA GLU A 89 1.854 -8.292 -3.273 1.00 71.22 H new ATOM 0 HB2 GLU A 89 3.867 -10.231 -4.412 1.00 25.43 H new ATOM 0 HB3 GLU A 89 2.213 -10.723 -4.111 1.00 25.43 H new ATOM 0 HG2 GLU A 89 1.312 -8.990 -5.498 1.00 50.51 H new ATOM 0 HG3 GLU A 89 2.822 -8.100 -5.510 1.00 50.51 H new ATOM 1420 N ALA A 90 1.691 -9.136 -0.955 1.00 43.41 N ATOM 1421 CA ALA A 90 1.362 -9.700 0.334 1.00 25.11 C ATOM 1422 C ALA A 90 0.039 -10.425 0.163 1.00 44.22 C ATOM 1423 O ALA A 90 -1.026 -9.817 0.038 1.00 14.55 O ATOM 1424 CB ALA A 90 1.326 -8.619 1.415 1.00 32.01 C ATOM 0 H ALA A 90 1.062 -8.378 -1.221 1.00 43.41 H new ATOM 0 HA ALA A 90 2.121 -10.405 0.673 1.00 25.11 H new ATOM 0 HB1 ALA A 90 1.076 -9.072 2.374 1.00 32.01 H new ATOM 0 HB2 ALA A 90 2.303 -8.140 1.483 1.00 32.01 H new ATOM 0 HB3 ALA A 90 0.573 -7.873 1.159 1.00 32.01 H new ATOM 1430 N GLY A 91 0.125 -11.748 0.136 1.00 33.14 N ATOM 1431 CA GLY A 91 -1.003 -12.646 0.156 1.00 4.41 C ATOM 1432 C GLY A 91 -0.636 -13.941 0.842 1.00 34.31 C ATOM 1433 O GLY A 91 0.534 -14.187 1.127 1.00 52.53 O ATOM 0 H GLY A 91 1.020 -12.236 0.098 1.00 33.14 H new ATOM 0 HA2 GLY A 91 -1.839 -12.177 0.674 1.00 4.41 H new ATOM 0 HA3 GLY A 91 -1.333 -12.848 -0.863 1.00 4.41 H new ATOM 1437 N TYR A 92 -1.628 -14.773 1.123 1.00 31.11 N ATOM 1438 CA TYR A 92 -1.436 -16.159 1.506 1.00 42.33 C ATOM 1439 C TYR A 92 -0.683 -16.972 0.431 1.00 3.21 C ATOM 1440 O TYR A 92 -0.049 -16.446 -0.491 1.00 34.13 O ATOM 1441 CB TYR A 92 -2.818 -16.744 1.900 1.00 3.52 C ATOM 1442 CG TYR A 92 -3.365 -16.363 3.265 1.00 1.25 C ATOM 1443 CD1 TYR A 92 -2.822 -15.310 4.029 1.00 72.32 C ATOM 1444 CD2 TYR A 92 -4.448 -17.097 3.784 1.00 72.12 C ATOM 1445 CE1 TYR A 92 -3.331 -15.020 5.302 1.00 61.13 C ATOM 1446 CE2 TYR A 92 -4.968 -16.805 5.056 1.00 23.21 C ATOM 1447 CZ TYR A 92 -4.396 -15.780 5.838 1.00 63.21 C ATOM 1448 OH TYR A 92 -4.891 -15.524 7.077 1.00 54.22 O ATOM 0 H TYR A 92 -2.609 -14.495 1.090 1.00 31.11 H new ATOM 0 HA TYR A 92 -0.779 -16.223 2.373 1.00 42.33 H new ATOM 0 HB2 TYR A 92 -3.543 -16.436 1.147 1.00 3.52 H new ATOM 0 HB3 TYR A 92 -2.751 -17.831 1.853 1.00 3.52 H new ATOM 0 HD1 TYR A 92 -2.008 -14.723 3.630 1.00 72.32 H new ATOM 0 HD2 TYR A 92 -4.884 -17.893 3.198 1.00 72.12 H new ATOM 0 HE1 TYR A 92 -2.907 -14.211 5.878 1.00 61.13 H new ATOM 0 HE2 TYR A 92 -5.808 -17.367 5.436 1.00 23.21 H new ATOM 0 HH TYR A 92 -5.621 -16.148 7.273 1.00 54.22 H new ATOM 1458 N ASP A 93 -0.762 -18.289 0.586 1.00 22.05 N ATOM 1459 CA ASP A 93 -0.619 -19.335 -0.428 1.00 45.43 C ATOM 1460 C ASP A 93 -1.369 -19.028 -1.727 1.00 1.52 C ATOM 1461 O ASP A 93 -1.828 -17.910 -1.934 1.00 23.41 O ATOM 1462 CB ASP A 93 -0.997 -20.683 0.221 1.00 45.52 C ATOM 1463 CG ASP A 93 -2.478 -21.041 0.062 1.00 52.22 C ATOM 1464 OD1 ASP A 93 -3.340 -20.202 0.416 1.00 12.32 O ATOM 1465 OD2 ASP A 93 -2.748 -22.171 -0.396 1.00 62.30 O ATOM 0 H ASP A 93 -0.944 -18.691 1.506 1.00 22.05 H new ATOM 0 HA ASP A 93 0.419 -19.387 -0.758 1.00 45.43 H new ATOM 0 HB2 ASP A 93 -0.390 -21.473 -0.221 1.00 45.52 H new ATOM 0 HB3 ASP A 93 -0.751 -20.648 1.282 1.00 45.52 H new ATOM 1470 N GLU A 94 -1.458 -19.978 -2.661 1.00 32.24 N ATOM 1471 CA GLU A 94 -2.060 -19.868 -3.992 1.00 72.02 C ATOM 1472 C GLU A 94 -3.502 -19.344 -4.062 1.00 54.34 C ATOM 1473 O GLU A 94 -4.139 -19.253 -5.117 1.00 45.41 O ATOM 1474 CB GLU A 94 -1.941 -21.241 -4.632 1.00 1.53 C ATOM 1475 CG GLU A 94 -2.805 -22.333 -3.985 1.00 43.52 C ATOM 1476 CD GLU A 94 -2.375 -23.726 -4.441 1.00 12.53 C ATOM 1477 OE1 GLU A 94 -2.709 -24.118 -5.582 1.00 62.44 O ATOM 1478 OE2 GLU A 94 -1.643 -24.405 -3.678 1.00 42.42 O ATOM 0 H GLU A 94 -1.084 -20.912 -2.495 1.00 32.24 H new ATOM 0 HA GLU A 94 -1.513 -19.093 -4.529 1.00 72.02 H new ATOM 0 HB2 GLU A 94 -2.212 -21.160 -5.685 1.00 1.53 H new ATOM 0 HB3 GLU A 94 -0.898 -21.554 -4.595 1.00 1.53 H new ATOM 0 HG2 GLU A 94 -2.729 -22.264 -2.900 1.00 43.52 H new ATOM 0 HG3 GLU A 94 -3.852 -22.171 -4.242 1.00 43.52 H new ATOM 1485 N SER A 95 -4.029 -18.996 -2.909 1.00 52.20 N ATOM 1486 CA SER A 95 -4.997 -17.923 -2.722 1.00 42.50 C ATOM 1487 C SER A 95 -4.569 -16.635 -3.451 1.00 53.34 C ATOM 1488 O SER A 95 -3.407 -16.437 -3.826 1.00 22.31 O ATOM 1489 CB SER A 95 -5.125 -17.673 -1.216 1.00 3.53 C ATOM 1490 OG SER A 95 -5.381 -18.875 -0.507 1.00 74.03 O ATOM 0 H SER A 95 -3.789 -19.468 -2.037 1.00 52.20 H new ATOM 0 HA SER A 95 -5.956 -18.217 -3.148 1.00 42.50 H new ATOM 0 HB2 SER A 95 -4.207 -17.218 -0.843 1.00 3.53 H new ATOM 0 HB3 SER A 95 -5.931 -16.962 -1.032 1.00 3.53 H new ATOM 0 HG SER A 95 -4.542 -19.221 -0.137 1.00 74.03 H new ATOM 1496 N GLU A 96 -5.526 -15.727 -3.623 1.00 61.43 N ATOM 1497 CA GLU A 96 -5.271 -14.385 -4.130 1.00 70.02 C ATOM 1498 C GLU A 96 -4.606 -13.555 -3.023 1.00 14.45 C ATOM 1499 O GLU A 96 -4.845 -13.834 -1.839 1.00 11.34 O ATOM 1500 CB GLU A 96 -6.597 -13.719 -4.512 1.00 13.13 C ATOM 1501 CG GLU A 96 -7.245 -14.273 -5.783 1.00 13.15 C ATOM 1502 CD GLU A 96 -8.633 -13.655 -5.986 1.00 12.35 C ATOM 1503 OE1 GLU A 96 -8.758 -12.405 -5.995 1.00 10.11 O ATOM 1504 OE2 GLU A 96 -9.625 -14.403 -6.102 1.00 50.43 O ATOM 0 H GLU A 96 -6.508 -15.905 -3.412 1.00 61.43 H new ATOM 0 HA GLU A 96 -4.623 -14.443 -5.005 1.00 70.02 H new ATOM 0 HB2 GLU A 96 -7.297 -13.832 -3.684 1.00 13.13 H new ATOM 0 HB3 GLU A 96 -6.427 -12.650 -4.643 1.00 13.13 H new ATOM 0 HG2 GLU A 96 -6.614 -14.057 -6.645 1.00 13.15 H new ATOM 0 HG3 GLU A 96 -7.329 -15.358 -5.713 1.00 13.15 H new ATOM 1511 N PRO A 97 -3.847 -12.504 -3.366 1.00 32.01 N ATOM 1512 CA PRO A 97 -3.234 -11.589 -2.409 1.00 62.32 C ATOM 1513 C PRO A 97 -4.210 -10.564 -1.831 1.00 65.10 C ATOM 1514 O PRO A 97 -5.212 -10.185 -2.442 1.00 13.35 O ATOM 1515 CB PRO A 97 -2.124 -10.867 -3.181 1.00 2.13 C ATOM 1516 CG PRO A 97 -2.730 -10.830 -4.586 1.00 10.34 C ATOM 1517 CD PRO A 97 -3.411 -12.181 -4.712 1.00 74.34 C ATOM 0 HA PRO A 97 -2.867 -12.153 -1.552 1.00 62.32 H new ATOM 0 HB2 PRO A 97 -1.929 -9.869 -2.788 1.00 2.13 H new ATOM 0 HB3 PRO A 97 -1.180 -11.411 -3.152 1.00 2.13 H new ATOM 0 HG2 PRO A 97 -3.440 -10.010 -4.696 1.00 10.34 H new ATOM 0 HG3 PRO A 97 -1.965 -10.693 -5.350 1.00 10.34 H new ATOM 0 HD2 PRO A 97 -4.255 -12.136 -5.401 1.00 74.34 H new ATOM 0 HD3 PRO A 97 -2.725 -12.935 -5.097 1.00 74.34 H new ATOM 1525 N SER A 98 -3.851 -10.050 -0.658 1.00 13.31 N ATOM 1526 CA SER A 98 -4.560 -8.982 0.021 1.00 32.32 C ATOM 1527 C SER A 98 -4.102 -7.633 -0.523 1.00 44.51 C ATOM 1528 O SER A 98 -4.931 -6.776 -0.836 1.00 54.31 O ATOM 1529 CB SER A 98 -4.283 -9.076 1.528 1.00 23.12 C ATOM 1530 OG SER A 98 -4.491 -10.400 1.984 1.00 51.51 O ATOM 0 H SER A 98 -3.034 -10.378 -0.143 1.00 13.31 H new ATOM 0 HA SER A 98 -5.632 -9.078 -0.152 1.00 32.32 H new ATOM 0 HB2 SER A 98 -3.258 -8.769 1.736 1.00 23.12 H new ATOM 0 HB3 SER A 98 -4.937 -8.391 2.068 1.00 23.12 H new ATOM 0 HG SER A 98 -4.309 -10.447 2.946 1.00 51.51 H new ATOM 1536 N LEU A 99 -2.786 -7.431 -0.642 1.00 74.40 N ATOM 1537 CA LEU A 99 -2.181 -6.101 -0.647 1.00 5.13 C ATOM 1538 C LEU A 99 -1.028 -6.082 -1.654 1.00 14.25 C ATOM 1539 O LEU A 99 -0.120 -6.912 -1.558 1.00 1.22 O ATOM 1540 CB LEU A 99 -1.687 -5.823 0.788 1.00 43.40 C ATOM 1541 CG LEU A 99 -0.986 -4.464 0.983 1.00 54.51 C ATOM 1542 CD1 LEU A 99 -2.005 -3.393 1.390 1.00 63.30 C ATOM 1543 CD2 LEU A 99 0.113 -4.573 2.044 1.00 21.15 C ATOM 0 H LEU A 99 -2.111 -8.189 -0.738 1.00 74.40 H new ATOM 0 HA LEU A 99 -2.891 -5.329 -0.944 1.00 5.13 H new ATOM 0 HB2 LEU A 99 -2.539 -5.876 1.466 1.00 43.40 H new ATOM 0 HB3 LEU A 99 -0.998 -6.616 1.079 1.00 43.40 H new ATOM 0 HG LEU A 99 -0.529 -4.175 0.037 1.00 54.51 H new ATOM 0 HD11 LEU A 99 -1.496 -2.439 1.524 1.00 63.30 H new ATOM 0 HD12 LEU A 99 -2.761 -3.295 0.610 1.00 63.30 H new ATOM 0 HD13 LEU A 99 -2.484 -3.683 2.325 1.00 63.30 H new ATOM 0 HD21 LEU A 99 0.597 -3.604 2.168 1.00 21.15 H new ATOM 0 HD22 LEU A 99 -0.326 -4.883 2.992 1.00 21.15 H new ATOM 0 HD23 LEU A 99 0.852 -5.309 1.728 1.00 21.15 H new ATOM 1555 N ARG A 100 -1.039 -5.100 -2.565 1.00 4.32 N ATOM 1556 CA ARG A 100 -0.014 -4.929 -3.596 1.00 32.42 C ATOM 1557 C ARG A 100 0.608 -3.545 -3.491 1.00 62.23 C ATOM 1558 O ARG A 100 -0.098 -2.588 -3.147 1.00 33.25 O ATOM 1559 CB ARG A 100 -0.632 -5.132 -4.991 1.00 64.22 C ATOM 1560 CG ARG A 100 0.407 -5.571 -6.032 1.00 11.13 C ATOM 1561 CD ARG A 100 -0.206 -6.302 -7.233 1.00 62.24 C ATOM 1562 NE ARG A 100 -1.359 -5.605 -7.820 1.00 23.44 N ATOM 1563 CZ ARG A 100 -2.270 -6.185 -8.604 1.00 13.34 C ATOM 1564 NH1 ARG A 100 -2.179 -7.469 -8.935 1.00 1.15 N ATOM 1565 NH2 ARG A 100 -3.321 -5.515 -9.043 1.00 65.11 N ATOM 0 H ARG A 100 -1.773 -4.393 -2.605 1.00 4.32 H new ATOM 0 HA ARG A 100 0.767 -5.674 -3.446 1.00 32.42 H new ATOM 0 HB2 ARG A 100 -1.421 -5.882 -4.930 1.00 64.22 H new ATOM 0 HB3 ARG A 100 -1.099 -4.203 -5.317 1.00 64.22 H new ATOM 0 HG2 ARG A 100 0.948 -4.694 -6.387 1.00 11.13 H new ATOM 0 HG3 ARG A 100 1.137 -6.223 -5.553 1.00 11.13 H new ATOM 0 HD2 ARG A 100 0.559 -6.430 -7.999 1.00 62.24 H new ATOM 0 HD3 ARG A 100 -0.515 -7.300 -6.921 1.00 62.24 H new ATOM 0 HE ARG A 100 -1.470 -4.612 -7.615 1.00 23.44 H new ATOM 0 HH11 ARG A 100 -1.402 -8.031 -8.588 1.00 1.15 H new ATOM 0 HH12 ARG A 100 -2.887 -7.892 -9.536 1.00 1.15 H new ATOM 0 HH21 ARG A 100 -3.447 -4.537 -8.783 1.00 65.11 H new ATOM 0 HH22 ARG A 100 -4.006 -5.976 -9.641 1.00 65.11 H new ATOM 1579 N VAL A 101 1.895 -3.385 -3.804 1.00 34.32 N ATOM 1580 CA VAL A 101 2.504 -2.062 -3.948 1.00 1.33 C ATOM 1581 C VAL A 101 3.387 -2.073 -5.199 1.00 4.12 C ATOM 1582 O VAL A 101 3.947 -3.119 -5.529 1.00 74.34 O ATOM 1583 CB VAL A 101 3.297 -1.741 -2.658 1.00 21.03 C ATOM 1584 CG1 VAL A 101 3.866 -0.317 -2.667 1.00 63.32 C ATOM 1585 CG2 VAL A 101 2.451 -1.884 -1.384 1.00 65.21 C ATOM 0 H VAL A 101 2.539 -4.160 -3.963 1.00 34.32 H new ATOM 0 HA VAL A 101 1.756 -1.280 -4.076 1.00 1.33 H new ATOM 0 HB VAL A 101 4.104 -2.474 -2.647 1.00 21.03 H new ATOM 0 HG11 VAL A 101 4.414 -0.138 -1.742 1.00 63.32 H new ATOM 0 HG12 VAL A 101 4.539 -0.200 -3.516 1.00 63.32 H new ATOM 0 HG13 VAL A 101 3.050 0.401 -2.750 1.00 63.32 H new ATOM 0 HG21 VAL A 101 3.062 -1.646 -0.513 1.00 65.21 H new ATOM 0 HG22 VAL A 101 1.604 -1.200 -1.431 1.00 65.21 H new ATOM 0 HG23 VAL A 101 2.086 -2.908 -1.302 1.00 65.21 H new ATOM 1595 N VAL A 102 3.630 -0.923 -5.835 1.00 2.44 N ATOM 1596 CA VAL A 102 4.665 -0.774 -6.863 1.00 14.43 C ATOM 1597 C VAL A 102 5.634 0.323 -6.440 1.00 24.22 C ATOM 1598 O VAL A 102 5.210 1.406 -6.024 1.00 22.44 O ATOM 1599 CB VAL A 102 4.045 -0.507 -8.246 1.00 12.21 C ATOM 1600 CG1 VAL A 102 5.118 -0.344 -9.335 1.00 51.41 C ATOM 1601 CG2 VAL A 102 3.097 -1.656 -8.615 1.00 22.24 C ATOM 0 H VAL A 102 3.111 -0.064 -5.650 1.00 2.44 H new ATOM 0 HA VAL A 102 5.222 -1.706 -6.957 1.00 14.43 H new ATOM 0 HB VAL A 102 3.491 0.430 -8.189 1.00 12.21 H new ATOM 0 HG11 VAL A 102 4.637 -0.157 -10.295 1.00 51.41 H new ATOM 0 HG12 VAL A 102 5.766 0.496 -9.084 1.00 51.41 H new ATOM 0 HG13 VAL A 102 5.713 -1.255 -9.399 1.00 51.41 H new ATOM 0 HG21 VAL A 102 2.659 -1.466 -9.595 1.00 22.24 H new ATOM 0 HG22 VAL A 102 3.654 -2.593 -8.642 1.00 22.24 H new ATOM 0 HG23 VAL A 102 2.304 -1.727 -7.870 1.00 22.24 H new ATOM 1611 N PHE A 103 6.929 0.036 -6.577 1.00 54.11 N ATOM 1612 CA PHE A 103 8.041 0.937 -6.338 1.00 40.31 C ATOM 1613 C PHE A 103 8.764 1.192 -7.670 1.00 62.40 C ATOM 1614 O PHE A 103 8.994 0.273 -8.459 1.00 44.31 O ATOM 1615 CB PHE A 103 9.012 0.309 -5.320 1.00 32.33 C ATOM 1616 CG PHE A 103 8.547 0.181 -3.874 1.00 62.33 C ATOM 1617 CD1 PHE A 103 8.284 1.332 -3.104 1.00 33.32 C ATOM 1618 CD2 PHE A 103 8.453 -1.089 -3.267 1.00 43.52 C ATOM 1619 CE1 PHE A 103 7.912 1.205 -1.749 1.00 1.53 C ATOM 1620 CE2 PHE A 103 8.065 -1.215 -1.923 1.00 12.45 C ATOM 1621 CZ PHE A 103 7.791 -0.067 -1.164 1.00 15.44 C ATOM 0 H PHE A 103 7.241 -0.888 -6.876 1.00 54.11 H new ATOM 0 HA PHE A 103 7.675 1.880 -5.933 1.00 40.31 H new ATOM 0 HB2 PHE A 103 9.272 -0.688 -5.677 1.00 32.33 H new ATOM 0 HB3 PHE A 103 9.929 0.898 -5.325 1.00 32.33 H new ATOM 0 HD1 PHE A 103 8.367 2.311 -3.551 1.00 33.32 H new ATOM 0 HD2 PHE A 103 8.682 -1.974 -3.842 1.00 43.52 H new ATOM 0 HE1 PHE A 103 7.719 2.089 -1.159 1.00 1.53 H new ATOM 0 HE2 PHE A 103 7.978 -2.194 -1.475 1.00 12.45 H new ATOM 0 HZ PHE A 103 7.488 -0.161 -0.132 1.00 15.44 H new ATOM 1631 N GLU A 104 9.196 2.428 -7.898 1.00 51.40 N ATOM 1632 CA GLU A 104 10.115 2.821 -8.966 1.00 15.11 C ATOM 1633 C GLU A 104 11.365 3.417 -8.308 1.00 75.13 C ATOM 1634 O GLU A 104 11.283 3.920 -7.184 1.00 43.51 O ATOM 1635 CB GLU A 104 9.434 3.844 -9.901 1.00 31.11 C ATOM 1636 CG GLU A 104 8.377 3.213 -10.823 1.00 11.22 C ATOM 1637 CD GLU A 104 7.577 4.255 -11.624 1.00 34.14 C ATOM 1638 OE1 GLU A 104 8.150 5.162 -12.267 1.00 41.52 O ATOM 1639 OE2 GLU A 104 6.326 4.192 -11.656 1.00 11.15 O ATOM 0 H GLU A 104 8.905 3.217 -7.321 1.00 51.40 H new ATOM 0 HA GLU A 104 10.394 1.961 -9.575 1.00 15.11 H new ATOM 0 HB2 GLU A 104 8.964 4.621 -9.298 1.00 31.11 H new ATOM 0 HB3 GLU A 104 10.195 4.331 -10.511 1.00 31.11 H new ATOM 0 HG2 GLU A 104 8.869 2.530 -11.516 1.00 11.22 H new ATOM 0 HG3 GLU A 104 7.689 2.618 -10.223 1.00 11.22 H new ATOM 1646 N LEU A 105 12.499 3.392 -9.009 1.00 3.24 N ATOM 1647 CA LEU A 105 13.762 4.032 -8.676 1.00 24.31 C ATOM 1648 C LEU A 105 14.074 4.958 -9.842 1.00 20.13 C ATOM 1649 O LEU A 105 14.227 4.487 -10.967 1.00 12.20 O ATOM 1650 CB LEU A 105 14.891 2.995 -8.537 1.00 35.01 C ATOM 1651 CG LEU A 105 16.255 3.636 -8.193 1.00 51.25 C ATOM 1652 CD1 LEU A 105 16.516 3.627 -6.692 1.00 61.05 C ATOM 1653 CD2 LEU A 105 17.416 2.922 -8.881 1.00 53.51 C ATOM 0 H LEU A 105 12.558 2.883 -9.891 1.00 3.24 H new ATOM 0 HA LEU A 105 13.688 4.562 -7.726 1.00 24.31 H new ATOM 0 HB2 LEU A 105 14.626 2.278 -7.760 1.00 35.01 H new ATOM 0 HB3 LEU A 105 14.982 2.437 -9.469 1.00 35.01 H new ATOM 0 HG LEU A 105 16.198 4.663 -8.554 1.00 51.25 H new ATOM 0 HD11 LEU A 105 17.484 4.085 -6.488 1.00 61.05 H new ATOM 0 HD12 LEU A 105 15.733 4.190 -6.183 1.00 61.05 H new ATOM 0 HD13 LEU A 105 16.518 2.599 -6.329 1.00 61.05 H new ATOM 0 HD21 LEU A 105 18.354 3.407 -8.610 1.00 53.51 H new ATOM 0 HD22 LEU A 105 17.442 1.880 -8.563 1.00 53.51 H new ATOM 0 HD23 LEU A 105 17.283 2.969 -9.962 1.00 53.51 H new ATOM 1665 N THR A 106 14.195 6.255 -9.594 1.00 72.12 N ATOM 1666 CA THR A 106 14.626 7.212 -10.604 1.00 24.32 C ATOM 1667 C THR A 106 15.614 8.135 -9.920 1.00 62.34 C ATOM 1668 O THR A 106 15.355 8.582 -8.799 1.00 52.55 O ATOM 1669 CB THR A 106 13.428 7.969 -11.201 1.00 51.42 C ATOM 1670 OG1 THR A 106 12.508 7.061 -11.785 1.00 32.11 O ATOM 1671 CG2 THR A 106 13.840 8.991 -12.266 1.00 43.42 C ATOM 0 H THR A 106 13.997 6.674 -8.685 1.00 72.12 H new ATOM 0 HA THR A 106 15.099 6.715 -11.451 1.00 24.32 H new ATOM 0 HB THR A 106 12.967 8.506 -10.372 1.00 51.42 H new ATOM 0 HG1 THR A 106 11.618 7.205 -11.401 1.00 32.11 H new ATOM 0 HG21 THR A 106 12.953 9.494 -12.651 1.00 43.42 H new ATOM 0 HG22 THR A 106 14.511 9.727 -11.823 1.00 43.42 H new ATOM 0 HG23 THR A 106 14.350 8.480 -13.083 1.00 43.42 H new ATOM 1679 N ASP A 107 16.725 8.403 -10.604 1.00 71.12 N ATOM 1680 CA ASP A 107 17.872 9.180 -10.153 1.00 75.41 C ATOM 1681 C ASP A 107 18.410 8.718 -8.793 1.00 42.23 C ATOM 1682 O ASP A 107 18.985 9.498 -8.031 1.00 73.15 O ATOM 1683 CB ASP A 107 17.524 10.669 -10.258 1.00 33.04 C ATOM 1684 CG ASP A 107 18.352 11.342 -11.341 1.00 31.03 C ATOM 1685 OD1 ASP A 107 18.330 10.885 -12.505 1.00 32.34 O ATOM 1686 OD2 ASP A 107 18.958 12.401 -11.060 1.00 71.44 O ATOM 0 H ASP A 107 16.854 8.057 -11.555 1.00 71.12 H new ATOM 0 HA ASP A 107 18.726 9.004 -10.807 1.00 75.41 H new ATOM 0 HB2 ASP A 107 16.463 10.784 -10.481 1.00 33.04 H new ATOM 0 HB3 ASP A 107 17.704 11.157 -9.300 1.00 33.04 H new ATOM 1691 N GLY A 108 18.211 7.431 -8.502 1.00 43.42 N ATOM 1692 CA GLY A 108 18.650 6.739 -7.307 1.00 72.34 C ATOM 1693 C GLY A 108 17.698 6.894 -6.119 1.00 55.12 C ATOM 1694 O GLY A 108 18.044 6.498 -5.003 1.00 2.13 O ATOM 0 H GLY A 108 17.707 6.814 -9.139 1.00 43.42 H new ATOM 0 HA2 GLY A 108 18.764 5.679 -7.533 1.00 72.34 H new ATOM 0 HA3 GLY A 108 19.634 7.112 -7.023 1.00 72.34 H new ATOM 1698 N LYS A 109 16.496 7.444 -6.316 1.00 2.30 N ATOM 1699 CA LYS A 109 15.496 7.637 -5.265 1.00 0.43 C ATOM 1700 C LYS A 109 14.396 6.603 -5.468 1.00 14.33 C ATOM 1701 O LYS A 109 13.790 6.605 -6.538 1.00 62.42 O ATOM 1702 CB LYS A 109 14.909 9.060 -5.372 1.00 20.43 C ATOM 1703 CG LYS A 109 15.941 10.206 -5.390 1.00 71.13 C ATOM 1704 CD LYS A 109 15.678 11.189 -6.541 1.00 75.22 C ATOM 1705 CE LYS A 109 16.875 12.113 -6.763 1.00 52.53 C ATOM 1706 NZ LYS A 109 16.627 13.088 -7.849 1.00 34.24 N ATOM 0 H LYS A 109 16.186 7.774 -7.230 1.00 2.30 H new ATOM 0 HA LYS A 109 15.945 7.518 -4.279 1.00 0.43 H new ATOM 0 HB2 LYS A 109 14.310 9.120 -6.281 1.00 20.43 H new ATOM 0 HB3 LYS A 109 14.231 9.218 -4.533 1.00 20.43 H new ATOM 0 HG2 LYS A 109 15.908 10.740 -4.440 1.00 71.13 H new ATOM 0 HG3 LYS A 109 16.944 9.791 -5.488 1.00 71.13 H new ATOM 0 HD2 LYS A 109 15.469 10.634 -7.456 1.00 75.22 H new ATOM 0 HD3 LYS A 109 14.792 11.784 -6.319 1.00 75.22 H new ATOM 0 HE2 LYS A 109 17.097 12.647 -5.839 1.00 52.53 H new ATOM 0 HE3 LYS A 109 17.754 11.516 -7.005 1.00 52.53 H new ATOM 0 HZ1 LYS A 109 17.527 13.519 -8.141 1.00 34.24 H new ATOM 0 HZ2 LYS A 109 16.197 12.601 -8.661 1.00 34.24 H new ATOM 0 HZ3 LYS A 109 15.983 13.830 -7.509 1.00 34.24 H new ATOM 1720 N TRP A 110 14.127 5.736 -4.487 1.00 61.12 N ATOM 1721 CA TRP A 110 12.972 4.832 -4.513 1.00 20.40 C ATOM 1722 C TRP A 110 11.697 5.596 -4.166 1.00 3.21 C ATOM 1723 O TRP A 110 11.743 6.462 -3.288 1.00 1.20 O ATOM 1724 CB TRP A 110 13.154 3.693 -3.501 1.00 60.33 C ATOM 1725 CG TRP A 110 14.054 2.605 -3.982 1.00 71.30 C ATOM 1726 CD1 TRP A 110 15.324 2.386 -3.584 1.00 54.43 C ATOM 1727 CD2 TRP A 110 13.779 1.609 -5.010 1.00 1.21 C ATOM 1728 NE1 TRP A 110 15.864 1.348 -4.317 1.00 51.33 N ATOM 1729 CE2 TRP A 110 14.957 0.838 -5.229 1.00 24.44 C ATOM 1730 CE3 TRP A 110 12.657 1.318 -5.812 1.00 62.42 C ATOM 1731 CZ2 TRP A 110 15.022 -0.139 -6.239 1.00 35.05 C ATOM 1732 CZ3 TRP A 110 12.698 0.314 -6.798 1.00 74.20 C ATOM 1733 CH2 TRP A 110 13.884 -0.406 -7.021 1.00 53.40 C ATOM 0 H TRP A 110 14.704 5.641 -3.651 1.00 61.12 H new ATOM 0 HA TRP A 110 12.894 4.416 -5.517 1.00 20.40 H new ATOM 0 HB2 TRP A 110 13.556 4.102 -2.574 1.00 60.33 H new ATOM 0 HB3 TRP A 110 12.178 3.268 -3.265 1.00 60.33 H new ATOM 0 HD1 TRP A 110 15.839 2.937 -2.811 1.00 54.43 H new ATOM 0 HE1 TRP A 110 16.816 1.000 -4.200 1.00 51.33 H new ATOM 0 HE3 TRP A 110 11.745 1.878 -5.667 1.00 62.42 H new ATOM 0 HZ2 TRP A 110 15.940 -0.681 -6.413 1.00 35.05 H new ATOM 0 HZ3 TRP A 110 11.817 0.097 -7.384 1.00 74.20 H new ATOM 0 HH2 TRP A 110 13.921 -1.162 -7.791 1.00 53.40 H new ATOM 1744 N TYR A 111 10.564 5.271 -4.791 1.00 62.11 N ATOM 1745 CA TYR A 111 9.298 5.960 -4.584 1.00 43.30 C ATOM 1746 C TYR A 111 8.123 5.041 -4.966 1.00 74.23 C ATOM 1747 O TYR A 111 8.238 4.279 -5.924 1.00 31.42 O ATOM 1748 CB TYR A 111 9.352 7.282 -5.381 1.00 63.32 C ATOM 1749 CG TYR A 111 9.441 7.252 -6.904 1.00 73.11 C ATOM 1750 CD1 TYR A 111 10.640 6.881 -7.529 1.00 61.21 C ATOM 1751 CD2 TYR A 111 8.381 7.715 -7.709 1.00 64.44 C ATOM 1752 CE1 TYR A 111 10.791 6.974 -8.920 1.00 11.22 C ATOM 1753 CE2 TYR A 111 8.534 7.843 -9.102 1.00 11.52 C ATOM 1754 CZ TYR A 111 9.752 7.489 -9.717 1.00 51.25 C ATOM 1755 OH TYR A 111 9.918 7.674 -11.055 1.00 53.24 O ATOM 0 H TYR A 111 10.504 4.508 -5.466 1.00 62.11 H new ATOM 0 HA TYR A 111 9.134 6.208 -3.535 1.00 43.30 H new ATOM 0 HB2 TYR A 111 8.462 7.855 -5.120 1.00 63.32 H new ATOM 0 HB3 TYR A 111 10.212 7.845 -5.017 1.00 63.32 H new ATOM 0 HD1 TYR A 111 11.461 6.517 -6.929 1.00 61.21 H new ATOM 0 HD2 TYR A 111 7.438 7.975 -7.251 1.00 64.44 H new ATOM 0 HE1 TYR A 111 11.711 6.648 -9.383 1.00 11.22 H new ATOM 0 HE2 TYR A 111 7.716 8.214 -9.702 1.00 11.52 H new ATOM 0 HH TYR A 111 9.433 6.977 -11.544 1.00 53.24 H new ATOM 1765 N VAL A 112 6.999 5.054 -4.227 1.00 73.12 N ATOM 1766 CA VAL A 112 5.804 4.276 -4.585 1.00 1.12 C ATOM 1767 C VAL A 112 5.101 4.973 -5.744 1.00 20.03 C ATOM 1768 O VAL A 112 4.986 6.204 -5.717 1.00 42.54 O ATOM 1769 CB VAL A 112 4.835 4.183 -3.388 1.00 75.01 C ATOM 1770 CG1 VAL A 112 3.481 3.530 -3.713 1.00 73.40 C ATOM 1771 CG2 VAL A 112 5.449 3.393 -2.233 1.00 75.02 C ATOM 0 H VAL A 112 6.896 5.600 -3.372 1.00 73.12 H new ATOM 0 HA VAL A 112 6.105 3.267 -4.867 1.00 1.12 H new ATOM 0 HB VAL A 112 4.659 5.223 -3.115 1.00 75.01 H new ATOM 0 HG11 VAL A 112 2.864 3.506 -2.815 1.00 73.40 H new ATOM 0 HG12 VAL A 112 2.975 4.108 -4.486 1.00 73.40 H new ATOM 0 HG13 VAL A 112 3.644 2.513 -4.068 1.00 73.40 H new ATOM 0 HG21 VAL A 112 4.740 3.347 -1.406 1.00 75.02 H new ATOM 0 HG22 VAL A 112 5.683 2.382 -2.567 1.00 75.02 H new ATOM 0 HG23 VAL A 112 6.363 3.886 -1.900 1.00 75.02 H new ATOM 1781 N THR A 113 4.569 4.221 -6.706 1.00 73.32 N ATOM 1782 CA THR A 113 3.795 4.792 -7.804 1.00 33.34 C ATOM 1783 C THR A 113 2.472 4.065 -8.052 1.00 35.45 C ATOM 1784 O THR A 113 1.650 4.579 -8.814 1.00 71.00 O ATOM 1785 CB THR A 113 4.668 4.877 -9.061 1.00 63.43 C ATOM 1786 OG1 THR A 113 5.077 3.589 -9.473 1.00 74.24 O ATOM 1787 CG2 THR A 113 5.899 5.763 -8.833 1.00 1.24 C ATOM 0 H THR A 113 4.662 3.206 -6.746 1.00 73.32 H new ATOM 0 HA THR A 113 3.502 5.802 -7.518 1.00 33.34 H new ATOM 0 HB THR A 113 4.062 5.329 -9.846 1.00 63.43 H new ATOM 0 HG1 THR A 113 5.344 3.616 -10.416 1.00 74.24 H new ATOM 0 HG21 THR A 113 6.495 5.800 -9.745 1.00 1.24 H new ATOM 0 HG22 THR A 113 5.578 6.770 -8.568 1.00 1.24 H new ATOM 0 HG23 THR A 113 6.500 5.349 -8.024 1.00 1.24 H new ATOM 1795 N ASP A 114 2.211 2.939 -7.377 1.00 4.45 N ATOM 1796 CA ASP A 114 0.887 2.333 -7.353 1.00 35.24 C ATOM 1797 C ASP A 114 0.651 1.609 -6.032 1.00 23.42 C ATOM 1798 O ASP A 114 1.613 1.255 -5.340 1.00 52.31 O ATOM 1799 CB ASP A 114 0.708 1.368 -8.528 1.00 4.51 C ATOM 1800 CG ASP A 114 -0.740 0.918 -8.611 1.00 62.33 C ATOM 1801 OD1 ASP A 114 -1.614 1.785 -8.402 1.00 20.42 O ATOM 1802 OD2 ASP A 114 -0.974 -0.284 -8.881 1.00 73.22 O ATOM 0 H ASP A 114 2.911 2.430 -6.837 1.00 4.45 H new ATOM 0 HA ASP A 114 0.150 3.130 -7.448 1.00 35.24 H new ATOM 0 HB2 ASP A 114 1.000 1.855 -9.458 1.00 4.51 H new ATOM 0 HB3 ASP A 114 1.360 0.504 -8.403 1.00 4.51 H new ATOM 1807 N CYS A 115 -0.616 1.386 -5.683 1.00 60.24 N ATOM 1808 CA CYS A 115 -1.047 0.743 -4.456 1.00 60.22 C ATOM 1809 C CYS A 115 -2.313 -0.066 -4.741 1.00 60.00 C ATOM 1810 O CYS A 115 -3.176 0.384 -5.496 1.00 34.14 O ATOM 1811 CB CYS A 115 -1.292 1.847 -3.408 1.00 24.03 C ATOM 1812 SG CYS A 115 -2.754 2.856 -3.808 1.00 75.03 S ATOM 0 H CYS A 115 -1.398 1.663 -6.277 1.00 60.24 H new ATOM 0 HA CYS A 115 -0.294 0.055 -4.071 1.00 60.22 H new ATOM 0 HB2 CYS A 115 -1.423 1.392 -2.426 1.00 24.03 H new ATOM 0 HB3 CYS A 115 -0.414 2.490 -3.347 1.00 24.03 H new ATOM 0 HG CYS A 115 -3.520 2.945 -2.761 1.00 75.03 H new ATOM 1818 N TYR A 116 -2.487 -1.198 -4.071 1.00 61.44 N ATOM 1819 CA TYR A 116 -3.729 -1.954 -4.042 1.00 31.02 C ATOM 1820 C TYR A 116 -3.960 -2.306 -2.582 1.00 32.04 C ATOM 1821 O TYR A 116 -3.083 -2.901 -1.948 1.00 45.42 O ATOM 1822 CB TYR A 116 -3.604 -3.180 -4.949 1.00 61.42 C ATOM 1823 CG TYR A 116 -4.901 -3.844 -5.358 1.00 23.24 C ATOM 1824 CD1 TYR A 116 -5.903 -3.108 -6.018 1.00 11.15 C ATOM 1825 CD2 TYR A 116 -5.076 -5.224 -5.145 1.00 25.35 C ATOM 1826 CE1 TYR A 116 -7.069 -3.750 -6.470 1.00 22.12 C ATOM 1827 CE2 TYR A 116 -6.248 -5.867 -5.576 1.00 13.32 C ATOM 1828 CZ TYR A 116 -7.249 -5.133 -6.250 1.00 10.43 C ATOM 1829 OH TYR A 116 -8.383 -5.740 -6.694 1.00 42.11 O ATOM 0 H TYR A 116 -1.745 -1.626 -3.517 1.00 61.44 H new ATOM 0 HA TYR A 116 -4.584 -1.394 -4.422 1.00 31.02 H new ATOM 0 HB2 TYR A 116 -3.071 -2.885 -5.853 1.00 61.42 H new ATOM 0 HB3 TYR A 116 -2.986 -3.920 -4.441 1.00 61.42 H new ATOM 0 HD1 TYR A 116 -5.776 -2.047 -6.178 1.00 11.15 H new ATOM 0 HD2 TYR A 116 -4.304 -5.792 -4.647 1.00 25.35 H new ATOM 0 HE1 TYR A 116 -7.829 -3.184 -6.987 1.00 22.12 H new ATOM 0 HE2 TYR A 116 -6.384 -6.923 -5.392 1.00 13.32 H new ATOM 0 HH TYR A 116 -8.355 -6.693 -6.466 1.00 42.11 H new ATOM 1839 N ASN A 117 -5.070 -1.842 -2.014 1.00 35.01 N ATOM 1840 CA ASN A 117 -5.418 -1.990 -0.601 1.00 3.22 C ATOM 1841 C ASN A 117 -6.872 -2.452 -0.533 1.00 41.43 C ATOM 1842 O ASN A 117 -7.634 -2.156 -1.461 1.00 31.31 O ATOM 1843 CB ASN A 117 -5.216 -0.641 0.118 1.00 62.10 C ATOM 1844 CG ASN A 117 -5.145 -0.836 1.626 1.00 62.04 C ATOM 1845 OD1 ASN A 117 -6.111 -1.257 2.236 1.00 11.43 O ATOM 1846 ND2 ASN A 117 -4.016 -0.561 2.248 1.00 42.53 N ATOM 0 H ASN A 117 -5.779 -1.334 -2.543 1.00 35.01 H new ATOM 0 HA ASN A 117 -4.783 -2.724 -0.105 1.00 3.22 H new ATOM 0 HB2 ASN A 117 -4.299 -0.169 -0.236 1.00 62.10 H new ATOM 0 HB3 ASN A 117 -6.036 0.033 -0.128 1.00 62.10 H new ATOM 0 HD21 ASN A 117 -3.942 -0.700 3.256 1.00 42.53 H new ATOM 0 HD22 ASN A 117 -3.216 -0.209 1.722 1.00 42.53 H new ATOM 1853 N ASP A 118 -7.284 -3.157 0.514 1.00 64.40 N ATOM 1854 CA ASP A 118 -8.647 -3.631 0.664 1.00 31.12 C ATOM 1855 C ASP A 118 -9.570 -2.571 1.281 1.00 14.31 C ATOM 1856 O ASP A 118 -10.774 -2.639 1.037 1.00 71.41 O ATOM 1857 CB ASP A 118 -8.654 -4.980 1.394 1.00 74.31 C ATOM 1858 CG ASP A 118 -8.580 -4.956 2.922 1.00 45.44 C ATOM 1859 OD1 ASP A 118 -8.089 -3.975 3.514 1.00 62.34 O ATOM 1860 OD2 ASP A 118 -8.977 -5.984 3.521 1.00 61.13 O ATOM 0 H ASP A 118 -6.672 -3.416 1.288 1.00 64.40 H new ATOM 0 HA ASP A 118 -9.073 -3.807 -0.324 1.00 31.12 H new ATOM 0 HB2 ASP A 118 -9.562 -5.512 1.109 1.00 74.31 H new ATOM 0 HB3 ASP A 118 -7.812 -5.566 1.026 1.00 74.31 H new ATOM 1865 N TRP A 119 -9.031 -1.523 1.930 1.00 73.11 N ATOM 1866 CA TRP A 119 -9.796 -0.392 2.479 1.00 53.14 C ATOM 1867 C TRP A 119 -10.727 0.273 1.453 1.00 20.22 C ATOM 1868 O TRP A 119 -11.735 0.858 1.841 1.00 55.24 O ATOM 1869 CB TRP A 119 -8.841 0.681 3.048 1.00 13.33 C ATOM 1870 CG TRP A 119 -8.420 0.547 4.488 1.00 50.12 C ATOM 1871 CD1 TRP A 119 -7.181 0.260 4.959 1.00 3.55 C ATOM 1872 CD2 TRP A 119 -9.226 0.823 5.668 1.00 10.22 C ATOM 1873 NE1 TRP A 119 -7.163 0.330 6.345 1.00 50.32 N ATOM 1874 CE2 TRP A 119 -8.401 0.689 6.827 1.00 11.24 C ATOM 1875 CE3 TRP A 119 -10.578 1.170 5.868 1.00 23.11 C ATOM 1876 CZ2 TRP A 119 -8.885 0.937 8.118 1.00 34.24 C ATOM 1877 CZ3 TRP A 119 -11.062 1.426 7.164 1.00 53.14 C ATOM 1878 CH2 TRP A 119 -10.220 1.325 8.288 1.00 50.12 C ATOM 0 H TRP A 119 -8.027 -1.438 2.090 1.00 73.11 H new ATOM 0 HA TRP A 119 -10.420 -0.813 3.268 1.00 53.14 H new ATOM 0 HB2 TRP A 119 -7.940 0.689 2.434 1.00 13.33 H new ATOM 0 HB3 TRP A 119 -9.318 1.654 2.927 1.00 13.33 H new ATOM 0 HD1 TRP A 119 -6.329 0.012 4.343 1.00 3.55 H new ATOM 0 HE1 TRP A 119 -6.346 0.142 6.926 1.00 50.32 H new ATOM 0 HE3 TRP A 119 -11.246 1.240 5.022 1.00 23.11 H new ATOM 0 HZ2 TRP A 119 -8.235 0.830 8.974 1.00 34.24 H new ATOM 0 HZ3 TRP A 119 -12.097 1.705 7.299 1.00 53.14 H new ATOM 0 HH2 TRP A 119 -10.601 1.545 9.274 1.00 50.12 H new ATOM 1889 N TYR A 120 -10.413 0.200 0.155 1.00 52.42 N ATOM 1890 CA TYR A 120 -11.300 0.665 -0.904 1.00 74.44 C ATOM 1891 C TYR A 120 -11.327 -0.437 -1.961 1.00 33.24 C ATOM 1892 O TYR A 120 -10.493 -0.460 -2.874 1.00 0.55 O ATOM 1893 CB TYR A 120 -10.887 2.053 -1.448 1.00 31.44 C ATOM 1894 CG TYR A 120 -10.237 3.002 -0.454 1.00 0.53 C ATOM 1895 CD1 TYR A 120 -11.016 3.716 0.479 1.00 43.24 C ATOM 1896 CD2 TYR A 120 -8.837 3.150 -0.452 1.00 35.24 C ATOM 1897 CE1 TYR A 120 -10.399 4.550 1.435 1.00 1.14 C ATOM 1898 CE2 TYR A 120 -8.215 3.984 0.488 1.00 34.04 C ATOM 1899 CZ TYR A 120 -8.990 4.679 1.439 1.00 21.24 C ATOM 1900 OH TYR A 120 -8.353 5.490 2.324 1.00 51.42 O ATOM 0 H TYR A 120 -9.532 -0.185 -0.186 1.00 52.42 H new ATOM 0 HA TYR A 120 -12.310 0.834 -0.531 1.00 74.44 H new ATOM 0 HB2 TYR A 120 -10.197 1.903 -2.279 1.00 31.44 H new ATOM 0 HB3 TYR A 120 -11.774 2.539 -1.854 1.00 31.44 H new ATOM 0 HD1 TYR A 120 -12.092 3.624 0.462 1.00 43.24 H new ATOM 0 HD2 TYR A 120 -8.239 2.619 -1.178 1.00 35.24 H new ATOM 0 HE1 TYR A 120 -10.997 5.085 2.158 1.00 1.14 H new ATOM 0 HE2 TYR A 120 -7.141 4.094 0.484 1.00 34.04 H new ATOM 0 HH TYR A 120 -7.394 5.289 2.320 1.00 51.42 H new ATOM 1910 N ASN A 121 -12.229 -1.403 -1.803 1.00 62.10 N ATOM 1911 CA ASN A 121 -12.417 -2.539 -2.709 1.00 10.22 C ATOM 1912 C ASN A 121 -13.880 -2.598 -3.155 1.00 11.45 C ATOM 1913 O ASN A 121 -14.681 -1.779 -2.709 1.00 20.15 O ATOM 1914 CB ASN A 121 -11.962 -3.846 -2.035 1.00 33.12 C ATOM 1915 CG ASN A 121 -13.028 -4.441 -1.121 1.00 70.12 C ATOM 1916 OD1 ASN A 121 -13.842 -5.240 -1.574 1.00 72.44 O ATOM 1917 ND2 ASN A 121 -13.073 -4.047 0.139 1.00 23.32 N ATOM 0 H ASN A 121 -12.874 -1.419 -1.013 1.00 62.10 H new ATOM 0 HA ASN A 121 -11.799 -2.409 -3.597 1.00 10.22 H new ATOM 0 HB2 ASN A 121 -11.701 -4.574 -2.803 1.00 33.12 H new ATOM 0 HB3 ASN A 121 -11.058 -3.656 -1.456 1.00 33.12 H new ATOM 0 HD21 ASN A 121 -13.797 -4.408 0.761 1.00 23.32 H new ATOM 0 HD22 ASN A 121 -12.384 -3.382 0.490 1.00 23.32 H new ATOM 1924 N PHE A 122 -14.226 -3.549 -4.026 1.00 74.42 N ATOM 1925 CA PHE A 122 -15.565 -3.713 -4.589 1.00 2.34 C ATOM 1926 C PHE A 122 -16.674 -3.687 -3.527 1.00 11.32 C ATOM 1927 O PHE A 122 -17.755 -3.153 -3.787 1.00 1.23 O ATOM 1928 CB PHE A 122 -15.619 -5.022 -5.392 1.00 22.11 C ATOM 1929 CG PHE A 122 -16.236 -4.889 -6.767 1.00 53.30 C ATOM 1930 CD1 PHE A 122 -15.484 -4.319 -7.812 1.00 4.15 C ATOM 1931 CD2 PHE A 122 -17.532 -5.379 -7.019 1.00 5.03 C ATOM 1932 CE1 PHE A 122 -16.007 -4.279 -9.117 1.00 12.42 C ATOM 1933 CE2 PHE A 122 -18.061 -5.325 -8.320 1.00 2.44 C ATOM 1934 CZ PHE A 122 -17.294 -4.788 -9.369 1.00 62.51 C ATOM 0 H PHE A 122 -13.563 -4.245 -4.367 1.00 74.42 H new ATOM 0 HA PHE A 122 -15.752 -2.861 -5.242 1.00 2.34 H new ATOM 0 HB2 PHE A 122 -14.606 -5.411 -5.498 1.00 22.11 H new ATOM 0 HB3 PHE A 122 -16.185 -5.759 -4.823 1.00 22.11 H new ATOM 0 HD1 PHE A 122 -14.504 -3.912 -7.611 1.00 4.15 H new ATOM 0 HD2 PHE A 122 -18.119 -5.796 -6.214 1.00 5.03 H new ATOM 0 HE1 PHE A 122 -15.423 -3.859 -9.922 1.00 12.42 H new ATOM 0 HE2 PHE A 122 -19.057 -5.696 -8.514 1.00 2.44 H new ATOM 0 HZ PHE A 122 -17.694 -4.766 -10.372 1.00 62.51 H new ATOM 1944 N ASP A 123 -16.412 -4.214 -2.328 1.00 61.43 N ATOM 1945 CA ASP A 123 -17.326 -4.311 -1.185 1.00 22.55 C ATOM 1946 C ASP A 123 -17.563 -2.962 -0.479 1.00 52.03 C ATOM 1947 O ASP A 123 -17.951 -2.940 0.693 1.00 34.53 O ATOM 1948 CB ASP A 123 -16.813 -5.374 -0.196 1.00 70.41 C ATOM 1949 CG ASP A 123 -17.893 -5.876 0.771 1.00 51.52 C ATOM 1950 OD1 ASP A 123 -19.099 -5.803 0.450 1.00 2.11 O ATOM 1951 OD2 ASP A 123 -17.531 -6.440 1.833 1.00 11.24 O ATOM 0 H ASP A 123 -15.496 -4.610 -2.115 1.00 61.43 H new ATOM 0 HA ASP A 123 -18.298 -4.615 -1.574 1.00 22.55 H new ATOM 0 HB2 ASP A 123 -16.416 -6.220 -0.757 1.00 70.41 H new ATOM 0 HB3 ASP A 123 -15.986 -4.956 0.379 1.00 70.41 H new ATOM 1956 N LEU A 124 -17.288 -1.835 -1.142 1.00 65.52 N ATOM 1957 CA LEU A 124 -17.354 -0.495 -0.576 1.00 13.03 C ATOM 1958 C LEU A 124 -18.161 0.449 -1.483 1.00 32.41 C ATOM 1959 O LEU A 124 -17.570 1.138 -2.319 1.00 61.50 O ATOM 1960 CB LEU A 124 -15.934 0.029 -0.271 1.00 52.44 C ATOM 1961 CG LEU A 124 -15.892 1.020 0.907 1.00 63.24 C ATOM 1962 CD1 LEU A 124 -16.968 2.111 0.846 1.00 24.32 C ATOM 1963 CD2 LEU A 124 -15.990 0.255 2.230 1.00 52.32 C ATOM 0 H LEU A 124 -17.004 -1.836 -2.122 1.00 65.52 H new ATOM 0 HA LEU A 124 -17.889 -0.535 0.373 1.00 13.03 H new ATOM 0 HB2 LEU A 124 -15.282 -0.816 -0.050 1.00 52.44 H new ATOM 0 HB3 LEU A 124 -15.535 0.516 -1.161 1.00 52.44 H new ATOM 0 HG LEU A 124 -14.937 1.540 0.836 1.00 63.24 H new ATOM 0 HD11 LEU A 124 -16.870 2.767 1.711 1.00 24.32 H new ATOM 0 HD12 LEU A 124 -16.844 2.693 -0.067 1.00 24.32 H new ATOM 0 HD13 LEU A 124 -17.955 1.649 0.851 1.00 24.32 H new ATOM 0 HD21 LEU A 124 -15.960 0.960 3.061 1.00 52.32 H new ATOM 0 HD22 LEU A 124 -16.927 -0.302 2.260 1.00 52.32 H new ATOM 0 HD23 LEU A 124 -15.153 -0.439 2.312 1.00 52.32 H new ATOM 1975 N PRO A 125 -19.496 0.508 -1.380 1.00 62.30 N ATOM 1976 CA PRO A 125 -20.284 1.429 -2.189 1.00 11.44 C ATOM 1977 C PRO A 125 -19.975 2.885 -1.812 1.00 33.21 C ATOM 1978 O PRO A 125 -19.687 3.211 -0.658 1.00 72.13 O ATOM 1979 CB PRO A 125 -21.737 1.055 -1.915 1.00 13.21 C ATOM 1980 CG PRO A 125 -21.689 0.521 -0.482 1.00 61.22 C ATOM 1981 CD PRO A 125 -20.341 -0.192 -0.424 1.00 1.24 C ATOM 0 HA PRO A 125 -20.056 1.352 -3.252 1.00 11.44 H new ATOM 0 HB2 PRO A 125 -22.399 1.916 -2.003 1.00 13.21 H new ATOM 0 HB3 PRO A 125 -22.099 0.302 -2.615 1.00 13.21 H new ATOM 0 HG2 PRO A 125 -21.751 1.326 0.250 1.00 61.22 H new ATOM 0 HG3 PRO A 125 -22.515 -0.161 -0.278 1.00 61.22 H new ATOM 0 HD2 PRO A 125 -19.917 -0.151 0.579 1.00 1.24 H new ATOM 0 HD3 PRO A 125 -20.441 -1.245 -0.685 1.00 1.24 H new ATOM 1989 N ILE A 126 -20.081 3.791 -2.785 1.00 44.34 N ATOM 1990 CA ILE A 126 -19.660 5.185 -2.628 1.00 61.33 C ATOM 1991 C ILE A 126 -20.497 5.881 -1.542 1.00 22.22 C ATOM 1992 O ILE A 126 -19.983 6.780 -0.870 1.00 62.14 O ATOM 1993 CB ILE A 126 -19.737 5.945 -3.973 1.00 63.53 C ATOM 1994 CG1 ILE A 126 -19.025 5.215 -5.142 1.00 64.34 C ATOM 1995 CG2 ILE A 126 -19.119 7.353 -3.862 1.00 55.30 C ATOM 1996 CD1 ILE A 126 -19.853 5.352 -6.415 1.00 31.11 C ATOM 0 H ILE A 126 -20.462 3.579 -3.707 1.00 44.34 H new ATOM 0 HA ILE A 126 -18.618 5.194 -2.308 1.00 61.33 H new ATOM 0 HB ILE A 126 -20.803 6.002 -4.193 1.00 63.53 H new ATOM 0 HG12 ILE A 126 -18.032 5.637 -5.296 1.00 64.34 H new ATOM 0 HG13 ILE A 126 -18.889 4.162 -4.897 1.00 64.34 H new ATOM 0 HG21 ILE A 126 -19.190 7.859 -4.825 1.00 55.30 H new ATOM 0 HG22 ILE A 126 -19.658 7.929 -3.109 1.00 55.30 H new ATOM 0 HG23 ILE A 126 -18.071 7.269 -3.573 1.00 55.30 H new ATOM 0 HD11 ILE A 126 -19.349 4.838 -7.234 1.00 31.11 H new ATOM 0 HD12 ILE A 126 -20.837 4.909 -6.259 1.00 31.11 H new ATOM 0 HD13 ILE A 126 -19.966 6.407 -6.664 1.00 31.11 H new ATOM 2008 N ASN A 127 -21.753 5.458 -1.332 1.00 0.43 N ATOM 2009 CA ASN A 127 -22.623 6.044 -0.309 1.00 4.15 C ATOM 2010 C ASN A 127 -22.065 5.860 1.105 1.00 15.05 C ATOM 2011 O ASN A 127 -22.392 6.658 1.980 1.00 40.24 O ATOM 2012 CB ASN A 127 -24.061 5.499 -0.392 1.00 61.24 C ATOM 2013 CG ASN A 127 -24.215 4.104 0.206 1.00 34.12 C ATOM 2014 OD1 ASN A 127 -23.899 3.112 -0.441 1.00 53.21 O ATOM 2015 ND2 ASN A 127 -24.691 3.976 1.430 1.00 1.44 N ATOM 0 H ASN A 127 -22.189 4.705 -1.864 1.00 0.43 H new ATOM 0 HA ASN A 127 -22.653 7.113 -0.519 1.00 4.15 H new ATOM 0 HB2 ASN A 127 -24.732 6.184 0.126 1.00 61.24 H new ATOM 0 HB3 ASN A 127 -24.373 5.475 -1.436 1.00 61.24 H new ATOM 0 HD21 ASN A 127 -24.797 3.049 1.841 1.00 1.44 H new ATOM 0 HD22 ASN A 127 -24.953 4.804 1.965 1.00 1.44 H new ATOM 2022 N GLU A 128 -21.218 4.852 1.330 1.00 11.43 N ATOM 2023 CA GLU A 128 -20.610 4.577 2.627 1.00 32.14 C ATOM 2024 C GLU A 128 -19.219 5.201 2.771 1.00 2.13 C ATOM 2025 O GLU A 128 -18.751 5.370 3.898 1.00 21.24 O ATOM 2026 CB GLU A 128 -20.487 3.056 2.805 1.00 12.13 C ATOM 2027 CG GLU A 128 -21.816 2.304 2.987 1.00 51.33 C ATOM 2028 CD GLU A 128 -22.489 2.594 4.329 1.00 34.45 C ATOM 2029 OE1 GLU A 128 -21.855 2.357 5.386 1.00 24.43 O ATOM 2030 OE2 GLU A 128 -23.657 3.044 4.358 1.00 33.45 O ATOM 0 H GLU A 128 -20.933 4.196 0.603 1.00 11.43 H new ATOM 0 HA GLU A 128 -21.251 5.019 3.389 1.00 32.14 H new ATOM 0 HB2 GLU A 128 -19.973 2.646 1.936 1.00 12.13 H new ATOM 0 HB3 GLU A 128 -19.856 2.858 3.671 1.00 12.13 H new ATOM 0 HG2 GLU A 128 -22.495 2.578 2.180 1.00 51.33 H new ATOM 0 HG3 GLU A 128 -21.635 1.232 2.902 1.00 51.33 H new ATOM 2037 N LEU A 129 -18.569 5.548 1.655 1.00 22.43 N ATOM 2038 CA LEU A 129 -17.126 5.785 1.559 1.00 40.13 C ATOM 2039 C LEU A 129 -16.647 6.920 2.448 1.00 15.34 C ATOM 2040 O LEU A 129 -15.532 6.910 2.966 1.00 32.41 O ATOM 2041 CB LEU A 129 -16.797 6.080 0.090 1.00 2.55 C ATOM 2042 CG LEU A 129 -15.324 6.431 -0.198 1.00 13.31 C ATOM 2043 CD1 LEU A 129 -14.330 5.377 0.304 1.00 14.11 C ATOM 2044 CD2 LEU A 129 -15.136 6.624 -1.707 1.00 71.33 C ATOM 0 H LEU A 129 -19.050 5.676 0.764 1.00 22.43 H new ATOM 0 HA LEU A 129 -16.605 4.894 1.910 1.00 40.13 H new ATOM 0 HB2 LEU A 129 -17.070 5.210 -0.508 1.00 2.55 H new ATOM 0 HB3 LEU A 129 -17.423 6.907 -0.246 1.00 2.55 H new ATOM 0 HG LEU A 129 -15.109 7.349 0.349 1.00 13.31 H new ATOM 0 HD11 LEU A 129 -13.314 5.692 0.066 1.00 14.11 H new ATOM 0 HD12 LEU A 129 -14.432 5.266 1.384 1.00 14.11 H new ATOM 0 HD13 LEU A 129 -14.536 4.422 -0.180 1.00 14.11 H new ATOM 0 HD21 LEU A 129 -14.095 6.872 -1.915 1.00 71.33 H new ATOM 0 HD22 LEU A 129 -15.400 5.703 -2.227 1.00 71.33 H new ATOM 0 HD23 LEU A 129 -15.779 7.434 -2.053 1.00 71.33 H new ATOM 2056 N GLU A 130 -17.491 7.929 2.596 1.00 14.21 N ATOM 2057 CA GLU A 130 -17.183 9.092 3.413 1.00 4.14 C ATOM 2058 C GLU A 130 -16.981 8.716 4.882 1.00 12.25 C ATOM 2059 O GLU A 130 -16.257 9.421 5.578 1.00 41.31 O ATOM 2060 CB GLU A 130 -18.278 10.147 3.224 1.00 73.41 C ATOM 2061 CG GLU A 130 -18.151 10.721 1.809 1.00 52.32 C ATOM 2062 CD GLU A 130 -19.045 11.925 1.532 1.00 35.55 C ATOM 2063 OE1 GLU A 130 -18.727 13.042 2.011 1.00 23.14 O ATOM 2064 OE2 GLU A 130 -19.959 11.780 0.693 1.00 63.43 O ATOM 0 H GLU A 130 -18.409 7.965 2.153 1.00 14.21 H new ATOM 0 HA GLU A 130 -16.235 9.518 3.085 1.00 4.14 H new ATOM 0 HB2 GLU A 130 -19.263 9.702 3.367 1.00 73.41 H new ATOM 0 HB3 GLU A 130 -18.175 10.939 3.966 1.00 73.41 H new ATOM 0 HG2 GLU A 130 -17.113 11.008 1.639 1.00 52.32 H new ATOM 0 HG3 GLU A 130 -18.387 9.936 1.090 1.00 52.32 H new ATOM 2071 N GLU A 131 -17.541 7.601 5.347 1.00 13.13 N ATOM 2072 CA GLU A 131 -17.242 7.055 6.667 1.00 13.11 C ATOM 2073 C GLU A 131 -15.935 6.255 6.645 1.00 73.04 C ATOM 2074 O GLU A 131 -15.120 6.359 7.557 1.00 31.14 O ATOM 2075 CB GLU A 131 -18.409 6.150 7.064 1.00 40.51 C ATOM 2076 CG GLU A 131 -18.420 5.752 8.540 1.00 1.41 C ATOM 2077 CD GLU A 131 -18.825 6.884 9.488 1.00 11.55 C ATOM 2078 OE1 GLU A 131 -19.182 7.990 9.034 1.00 62.23 O ATOM 2079 OE2 GLU A 131 -18.826 6.647 10.720 1.00 4.21 O ATOM 0 H GLU A 131 -18.216 7.050 4.817 1.00 13.13 H new ATOM 0 HA GLU A 131 -17.116 7.863 7.387 1.00 13.11 H new ATOM 0 HB2 GLU A 131 -19.344 6.658 6.829 1.00 40.51 H new ATOM 0 HB3 GLU A 131 -18.376 5.246 6.456 1.00 40.51 H new ATOM 0 HG2 GLU A 131 -19.106 4.916 8.675 1.00 1.41 H new ATOM 0 HG3 GLU A 131 -17.427 5.397 8.817 1.00 1.41 H new ATOM 2086 N THR A 132 -15.714 5.454 5.600 1.00 2.13 N ATOM 2087 CA THR A 132 -14.572 4.553 5.487 1.00 32.32 C ATOM 2088 C THR A 132 -13.264 5.338 5.548 1.00 2.35 C ATOM 2089 O THR A 132 -12.313 4.930 6.213 1.00 1.34 O ATOM 2090 CB THR A 132 -14.687 3.800 4.157 1.00 73.31 C ATOM 2091 OG1 THR A 132 -16.012 3.341 3.974 1.00 63.01 O ATOM 2092 CG2 THR A 132 -13.667 2.669 3.998 1.00 13.52 C ATOM 0 H THR A 132 -16.338 5.415 4.794 1.00 2.13 H new ATOM 0 HA THR A 132 -14.571 3.845 6.316 1.00 32.32 H new ATOM 0 HB THR A 132 -14.443 4.511 3.368 1.00 73.31 H new ATOM 0 HG1 THR A 132 -16.199 2.619 4.610 1.00 63.01 H new ATOM 0 HG21 THR A 132 -13.810 2.183 3.033 1.00 13.52 H new ATOM 0 HG22 THR A 132 -12.658 3.079 4.052 1.00 13.52 H new ATOM 0 HG23 THR A 132 -13.805 1.939 4.796 1.00 13.52 H new ATOM 2100 N ILE A 133 -13.219 6.487 4.867 1.00 33.42 N ATOM 2101 CA ILE A 133 -12.045 7.342 4.829 1.00 60.30 C ATOM 2102 C ILE A 133 -11.745 7.856 6.242 1.00 62.40 C ATOM 2103 O ILE A 133 -10.580 8.020 6.589 1.00 60.11 O ATOM 2104 CB ILE A 133 -12.226 8.463 3.780 1.00 3.23 C ATOM 2105 CG1 ILE A 133 -12.388 7.853 2.371 1.00 61.13 C ATOM 2106 CG2 ILE A 133 -10.998 9.389 3.750 1.00 41.20 C ATOM 2107 CD1 ILE A 133 -12.878 8.844 1.313 1.00 1.45 C ATOM 0 H ILE A 133 -14.005 6.846 4.325 1.00 33.42 H new ATOM 0 HA ILE A 133 -11.171 6.776 4.506 1.00 60.30 H new ATOM 0 HB ILE A 133 -13.114 9.031 4.058 1.00 3.23 H new ATOM 0 HG12 ILE A 133 -11.430 7.442 2.052 1.00 61.13 H new ATOM 0 HG13 ILE A 133 -13.089 7.020 2.426 1.00 61.13 H new ATOM 0 HG21 ILE A 133 -11.149 10.170 3.004 1.00 41.20 H new ATOM 0 HG22 ILE A 133 -10.862 9.845 4.731 1.00 41.20 H new ATOM 0 HG23 ILE A 133 -10.111 8.809 3.494 1.00 41.20 H new ATOM 0 HD11 ILE A 133 -12.965 8.337 0.352 1.00 1.45 H new ATOM 0 HD12 ILE A 133 -13.852 9.237 1.606 1.00 1.45 H new ATOM 0 HD13 ILE A 133 -12.167 9.665 1.226 1.00 1.45 H new ATOM 2119 N GLN A 134 -12.753 8.086 7.083 1.00 40.14 N ATOM 2120 CA GLN A 134 -12.495 8.494 8.455 1.00 51.41 C ATOM 2121 C GLN A 134 -11.887 7.355 9.263 1.00 11.55 C ATOM 2122 O GLN A 134 -10.909 7.584 9.974 1.00 51.10 O ATOM 2123 CB GLN A 134 -13.781 9.026 9.097 1.00 0.31 C ATOM 2124 CG GLN A 134 -14.330 10.221 8.313 1.00 74.02 C ATOM 2125 CD GLN A 134 -13.419 11.444 8.398 1.00 31.34 C ATOM 2126 OE1 GLN A 134 -13.042 11.902 9.474 1.00 21.02 O ATOM 2127 NE2 GLN A 134 -12.997 12.004 7.278 1.00 2.42 N ATOM 0 H GLN A 134 -13.740 7.997 6.840 1.00 40.14 H new ATOM 0 HA GLN A 134 -11.763 9.302 8.448 1.00 51.41 H new ATOM 0 HB2 GLN A 134 -14.529 8.234 9.132 1.00 0.31 H new ATOM 0 HB3 GLN A 134 -13.582 9.322 10.127 1.00 0.31 H new ATOM 0 HG2 GLN A 134 -14.457 9.938 7.268 1.00 74.02 H new ATOM 0 HG3 GLN A 134 -15.317 10.480 8.696 1.00 74.02 H new ATOM 0 HE21 GLN A 134 -13.301 11.635 6.377 1.00 2.42 H new ATOM 0 HE22 GLN A 134 -12.367 12.805 7.314 1.00 2.42 H new ATOM 2136 N ALA A 135 -12.428 6.142 9.140 1.00 32.33 N ATOM 2137 CA ALA A 135 -11.987 4.998 9.937 1.00 55.22 C ATOM 2138 C ALA A 135 -10.503 4.699 9.705 1.00 23.43 C ATOM 2139 O ALA A 135 -9.764 4.442 10.653 1.00 53.33 O ATOM 2140 CB ALA A 135 -12.841 3.778 9.599 1.00 40.41 C ATOM 0 H ALA A 135 -13.182 5.926 8.487 1.00 32.33 H new ATOM 0 HA ALA A 135 -12.111 5.242 10.992 1.00 55.22 H new ATOM 0 HB1 ALA A 135 -12.511 2.927 10.194 1.00 40.41 H new ATOM 0 HB2 ALA A 135 -13.886 3.993 9.822 1.00 40.41 H new ATOM 0 HB3 ALA A 135 -12.736 3.543 8.540 1.00 40.41 H new ATOM 2146 N VAL A 136 -10.029 4.782 8.463 1.00 43.42 N ATOM 2147 CA VAL A 136 -8.613 4.544 8.181 1.00 71.13 C ATOM 2148 C VAL A 136 -7.759 5.653 8.801 1.00 51.30 C ATOM 2149 O VAL A 136 -6.675 5.390 9.329 1.00 53.14 O ATOM 2150 CB VAL A 136 -8.419 4.357 6.670 1.00 75.33 C ATOM 2151 CG1 VAL A 136 -8.876 5.514 5.802 1.00 12.23 C ATOM 2152 CG2 VAL A 136 -6.987 3.993 6.285 1.00 52.50 C ATOM 0 H VAL A 136 -10.595 5.009 7.645 1.00 43.42 H new ATOM 0 HA VAL A 136 -8.271 3.620 8.648 1.00 71.13 H new ATOM 0 HB VAL A 136 -9.082 3.517 6.462 1.00 75.33 H new ATOM 0 HG11 VAL A 136 -8.693 5.277 4.754 1.00 12.23 H new ATOM 0 HG12 VAL A 136 -9.942 5.685 5.955 1.00 12.23 H new ATOM 0 HG13 VAL A 136 -8.322 6.413 6.073 1.00 12.23 H new ATOM 0 HG21 VAL A 136 -6.920 3.875 5.203 1.00 52.50 H new ATOM 0 HG22 VAL A 136 -6.311 4.785 6.607 1.00 52.50 H new ATOM 0 HG23 VAL A 136 -6.706 3.058 6.770 1.00 52.50 H new ATOM 2162 N GLN A 137 -8.238 6.899 8.774 1.00 32.43 N ATOM 2163 CA GLN A 137 -7.486 8.043 9.263 1.00 15.13 C ATOM 2164 C GLN A 137 -7.365 8.028 10.795 1.00 23.01 C ATOM 2165 O GLN A 137 -6.369 8.544 11.315 1.00 0.34 O ATOM 2166 CB GLN A 137 -8.099 9.338 8.712 1.00 74.22 C ATOM 2167 CG GLN A 137 -7.992 9.398 7.170 1.00 20.34 C ATOM 2168 CD GLN A 137 -6.647 9.879 6.627 1.00 40.12 C ATOM 2169 OE1 GLN A 137 -5.611 9.814 7.278 1.00 75.42 O ATOM 2170 NE2 GLN A 137 -6.580 10.309 5.369 1.00 15.12 N ATOM 0 H GLN A 137 -9.161 7.137 8.410 1.00 32.43 H new ATOM 0 HA GLN A 137 -6.462 7.986 8.894 1.00 15.13 H new ATOM 0 HB2 GLN A 137 -9.146 9.403 9.009 1.00 74.22 H new ATOM 0 HB3 GLN A 137 -7.590 10.198 9.148 1.00 74.22 H new ATOM 0 HG2 GLN A 137 -8.193 8.404 6.769 1.00 20.34 H new ATOM 0 HG3 GLN A 137 -8.774 10.057 6.793 1.00 20.34 H new ATOM 0 HE21 GLN A 137 -7.428 10.372 4.806 1.00 15.12 H new ATOM 0 HE22 GLN A 137 -5.681 10.575 4.968 1.00 15.12 H new ATOM 2179 N GLU A 138 -8.291 7.369 11.502 1.00 51.40 N ATOM 2180 CA GLU A 138 -8.178 7.072 12.922 1.00 23.02 C ATOM 2181 C GLU A 138 -6.925 6.234 13.160 1.00 61.33 C ATOM 2182 O GLU A 138 -6.035 6.644 13.905 1.00 63.31 O ATOM 2183 CB GLU A 138 -9.402 6.308 13.445 1.00 71.41 C ATOM 2184 CG GLU A 138 -10.682 7.150 13.532 1.00 72.44 C ATOM 2185 CD GLU A 138 -11.705 6.527 14.490 1.00 64.21 C ATOM 2186 OE1 GLU A 138 -12.389 5.539 14.158 1.00 22.15 O ATOM 2187 OE2 GLU A 138 -11.867 7.071 15.612 1.00 13.11 O ATOM 0 H GLU A 138 -9.156 7.023 11.087 1.00 51.40 H new ATOM 0 HA GLU A 138 -8.117 8.018 13.460 1.00 23.02 H new ATOM 0 HB2 GLU A 138 -9.587 5.453 12.795 1.00 71.41 H new ATOM 0 HB3 GLU A 138 -9.173 5.912 14.435 1.00 71.41 H new ATOM 0 HG2 GLU A 138 -10.434 8.157 13.869 1.00 72.44 H new ATOM 0 HG3 GLU A 138 -11.123 7.246 12.540 1.00 72.44 H new ATOM 2194 N GLU A 139 -6.841 5.048 12.560 1.00 35.15 N ATOM 2195 CA GLU A 139 -5.667 4.194 12.731 1.00 72.23 C ATOM 2196 C GLU A 139 -4.375 4.796 12.160 1.00 51.54 C ATOM 2197 O GLU A 139 -3.286 4.515 12.667 1.00 34.31 O ATOM 2198 CB GLU A 139 -5.891 2.725 12.423 1.00 45.42 C ATOM 2199 CG GLU A 139 -6.594 2.505 11.125 1.00 22.03 C ATOM 2200 CD GLU A 139 -6.515 1.008 10.793 1.00 11.55 C ATOM 2201 OE1 GLU A 139 -7.055 0.182 11.577 1.00 4.52 O ATOM 2202 OE2 GLU A 139 -5.867 0.645 9.790 1.00 53.10 O ATOM 0 H GLU A 139 -7.565 4.659 11.956 1.00 35.15 H new ATOM 0 HA GLU A 139 -5.497 4.181 13.808 1.00 72.23 H new ATOM 0 HB2 GLU A 139 -4.929 2.213 12.401 1.00 45.42 H new ATOM 0 HB3 GLU A 139 -6.474 2.275 13.227 1.00 45.42 H new ATOM 0 HG2 GLU A 139 -7.633 2.826 11.195 1.00 22.03 H new ATOM 0 HG3 GLU A 139 -6.130 3.096 10.335 1.00 22.03 H new ATOM 2209 N ASN A 140 -4.477 5.696 11.175 1.00 23.05 N ATOM 2210 CA ASN A 140 -3.320 6.427 10.645 1.00 33.23 C ATOM 2211 C ASN A 140 -2.666 7.281 11.734 1.00 75.04 C ATOM 2212 O ASN A 140 -1.462 7.123 11.944 1.00 12.43 O ATOM 2213 CB ASN A 140 -3.634 7.306 9.419 1.00 75.11 C ATOM 2214 CG ASN A 140 -3.655 6.578 8.080 1.00 20.25 C ATOM 2215 OD1 ASN A 140 -4.267 5.410 8.003 1.00 73.33 O flip ATOM 2216 ND2 ASN A 140 -3.103 7.050 7.092 1.00 51.31 N flip ATOM 0 H ASN A 140 -5.360 5.937 10.725 1.00 23.05 H new ATOM 0 HA ASN A 140 -2.629 5.656 10.306 1.00 33.23 H new ATOM 0 HB2 ASN A 140 -4.604 7.779 9.571 1.00 75.11 H new ATOM 0 HB3 ASN A 140 -2.894 8.105 9.367 1.00 75.11 H new ATOM 0 HD21 ASN A 140 -2.631 7.952 7.154 1.00 51.31 H new ATOM 0 HD22 ASN A 140 -3.116 6.541 6.208 1.00 51.31 H new ATOM 2223 N LYS A 141 -3.398 8.162 12.448 1.00 61.32 N ATOM 2224 CA LYS A 141 -2.731 8.985 13.464 1.00 35.23 C ATOM 2225 C LYS A 141 -2.127 8.127 14.568 1.00 54.52 C ATOM 2226 O LYS A 141 -1.065 8.446 15.095 1.00 20.25 O ATOM 2227 CB LYS A 141 -3.658 10.042 14.061 1.00 52.50 C ATOM 2228 CG LYS A 141 -5.020 9.527 14.533 1.00 34.33 C ATOM 2229 CD LYS A 141 -5.537 10.252 15.769 1.00 61.12 C ATOM 2230 CE LYS A 141 -4.899 9.633 17.024 1.00 13.14 C ATOM 2231 NZ LYS A 141 -4.954 10.496 18.220 1.00 55.23 N ATOM 0 H LYS A 141 -4.401 8.315 12.345 1.00 61.32 H new ATOM 0 HA LYS A 141 -1.925 9.509 12.950 1.00 35.23 H new ATOM 0 HB2 LYS A 141 -3.152 10.510 14.906 1.00 52.50 H new ATOM 0 HB3 LYS A 141 -3.821 10.821 13.316 1.00 52.50 H new ATOM 0 HG2 LYS A 141 -5.743 9.637 13.725 1.00 34.33 H new ATOM 0 HG3 LYS A 141 -4.944 8.461 14.749 1.00 34.33 H new ATOM 0 HD2 LYS A 141 -5.296 11.313 15.710 1.00 61.12 H new ATOM 0 HD3 LYS A 141 -6.623 10.174 15.823 1.00 61.12 H new ATOM 0 HE2 LYS A 141 -5.401 8.691 17.246 1.00 13.14 H new ATOM 0 HE3 LYS A 141 -3.857 9.396 16.809 1.00 13.14 H new ATOM 0 HZ1 LYS A 141 -4.504 10.008 19.021 1.00 55.23 H new ATOM 0 HZ2 LYS A 141 -4.450 11.386 18.030 1.00 55.23 H new ATOM 0 HZ3 LYS A 141 -5.946 10.703 18.453 1.00 55.23 H new ATOM 2245 N ALA A 142 -2.826 7.054 14.924 1.00 4.35 N ATOM 2246 CA ALA A 142 -2.428 6.154 15.986 1.00 73.41 C ATOM 2247 C ALA A 142 -1.105 5.459 15.663 1.00 54.12 C ATOM 2248 O ALA A 142 -0.355 5.147 16.590 1.00 63.43 O ATOM 2249 CB ALA A 142 -3.557 5.151 16.237 1.00 51.32 C ATOM 0 H ALA A 142 -3.700 6.786 14.471 1.00 4.35 H new ATOM 0 HA ALA A 142 -2.256 6.725 16.899 1.00 73.41 H new ATOM 0 HB1 ALA A 142 -3.266 4.468 17.036 1.00 51.32 H new ATOM 0 HB2 ALA A 142 -4.461 5.686 16.528 1.00 51.32 H new ATOM 0 HB3 ALA A 142 -3.748 4.583 15.326 1.00 51.32 H new ATOM 2255 N PHE A 143 -0.814 5.255 14.377 1.00 54.21 N ATOM 2256 CA PHE A 143 0.486 4.832 13.901 1.00 13.52 C ATOM 2257 C PHE A 143 1.457 6.009 13.963 1.00 22.24 C ATOM 2258 O PHE A 143 2.426 5.949 14.714 1.00 11.23 O ATOM 2259 CB PHE A 143 0.338 4.276 12.483 1.00 1.14 C ATOM 2260 CG PHE A 143 1.627 3.819 11.829 1.00 3.11 C ATOM 2261 CD1 PHE A 143 2.395 4.721 11.065 1.00 32.11 C ATOM 2262 CD2 PHE A 143 2.056 2.488 11.969 1.00 11.43 C ATOM 2263 CE1 PHE A 143 3.548 4.282 10.390 1.00 1.44 C ATOM 2264 CE2 PHE A 143 3.201 2.046 11.287 1.00 63.42 C ATOM 2265 CZ PHE A 143 3.944 2.936 10.493 1.00 71.10 C ATOM 0 H PHE A 143 -1.496 5.384 13.629 1.00 54.21 H new ATOM 0 HA PHE A 143 0.892 4.041 14.531 1.00 13.52 H new ATOM 0 HB2 PHE A 143 -0.354 3.435 12.511 1.00 1.14 H new ATOM 0 HB3 PHE A 143 -0.117 5.042 11.855 1.00 1.14 H new ATOM 0 HD1 PHE A 143 2.096 5.757 10.998 1.00 32.11 H new ATOM 0 HD2 PHE A 143 1.506 1.806 12.600 1.00 11.43 H new ATOM 0 HE1 PHE A 143 4.126 4.974 9.796 1.00 1.44 H new ATOM 0 HE2 PHE A 143 3.513 1.016 11.373 1.00 63.42 H new ATOM 0 HZ PHE A 143 4.818 2.587 9.963 1.00 71.10 H new ATOM 2275 N GLU A 144 1.236 7.062 13.166 1.00 51.22 N ATOM 2276 CA GLU A 144 2.279 8.036 12.847 1.00 41.40 C ATOM 2277 C GLU A 144 2.851 8.719 14.085 1.00 40.42 C ATOM 2278 O GLU A 144 4.049 8.997 14.133 1.00 74.22 O ATOM 2279 CB GLU A 144 1.814 9.069 11.814 1.00 42.52 C ATOM 2280 CG GLU A 144 0.559 9.854 12.192 1.00 53.54 C ATOM 2281 CD GLU A 144 0.587 11.295 11.693 1.00 4.25 C ATOM 2282 OE1 GLU A 144 1.514 12.057 12.051 1.00 64.43 O ATOM 2283 OE2 GLU A 144 -0.280 11.669 10.873 1.00 71.31 O ATOM 0 H GLU A 144 0.336 7.259 12.729 1.00 51.22 H new ATOM 0 HA GLU A 144 3.089 7.461 12.398 1.00 41.40 H new ATOM 0 HB2 GLU A 144 2.626 9.776 11.641 1.00 42.52 H new ATOM 0 HB3 GLU A 144 1.631 8.556 10.870 1.00 42.52 H new ATOM 0 HG2 GLU A 144 -0.316 9.350 11.782 1.00 53.54 H new ATOM 0 HG3 GLU A 144 0.449 9.852 13.276 1.00 53.54 H new ATOM 2290 N GLU A 145 2.029 8.907 15.114 1.00 15.12 N ATOM 2291 CA GLU A 145 2.408 9.516 16.372 1.00 33.05 C ATOM 2292 C GLU A 145 3.624 8.815 17.002 1.00 54.32 C ATOM 2293 O GLU A 145 4.494 9.470 17.587 1.00 55.45 O ATOM 2294 CB GLU A 145 1.176 9.452 17.274 1.00 24.41 C ATOM 2295 CG GLU A 145 1.461 10.031 18.652 1.00 23.25 C ATOM 2296 CD GLU A 145 0.217 9.990 19.529 1.00 72.22 C ATOM 2297 OE1 GLU A 145 -0.598 10.940 19.485 1.00 73.34 O ATOM 2298 OE2 GLU A 145 0.102 9.006 20.295 1.00 34.01 O ATOM 0 H GLU A 145 1.048 8.628 15.087 1.00 15.12 H new ATOM 0 HA GLU A 145 2.720 10.550 16.224 1.00 33.05 H new ATOM 0 HB2 GLU A 145 0.356 10.001 16.811 1.00 24.41 H new ATOM 0 HB3 GLU A 145 0.851 8.416 17.374 1.00 24.41 H new ATOM 0 HG2 GLU A 145 2.264 9.468 19.128 1.00 23.25 H new ATOM 0 HG3 GLU A 145 1.807 11.060 18.554 1.00 23.25 H new ATOM 2305 N LEU A 146 3.668 7.489 16.874 1.00 0.51 N ATOM 2306 CA LEU A 146 4.686 6.581 17.401 1.00 22.31 C ATOM 2307 C LEU A 146 5.703 6.140 16.341 1.00 24.31 C ATOM 2308 O LEU A 146 6.612 5.374 16.666 1.00 61.13 O ATOM 2309 CB LEU A 146 4.013 5.334 18.026 1.00 33.32 C ATOM 2310 CG LEU A 146 3.317 5.505 19.390 1.00 30.12 C ATOM 2311 CD1 LEU A 146 4.157 6.342 20.356 1.00 44.43 C ATOM 2312 CD2 LEU A 146 1.911 6.097 19.282 1.00 4.44 C ATOM 0 H LEU A 146 2.942 6.986 16.363 1.00 0.51 H new ATOM 0 HA LEU A 146 5.235 7.135 18.162 1.00 22.31 H new ATOM 0 HB2 LEU A 146 3.274 4.960 17.317 1.00 33.32 H new ATOM 0 HB3 LEU A 146 4.773 4.560 18.132 1.00 33.32 H new ATOM 0 HG LEU A 146 3.217 4.495 19.788 1.00 30.12 H new ATOM 0 HD11 LEU A 146 3.631 6.439 21.306 1.00 44.43 H new ATOM 0 HD12 LEU A 146 5.117 5.853 20.521 1.00 44.43 H new ATOM 0 HD13 LEU A 146 4.323 7.332 19.930 1.00 44.43 H new ATOM 0 HD21 LEU A 146 1.478 6.191 20.278 1.00 4.44 H new ATOM 0 HD22 LEU A 146 1.965 7.081 18.816 1.00 4.44 H new ATOM 0 HD23 LEU A 146 1.286 5.442 18.675 1.00 4.44 H new ATOM 2324 N HIS A 147 5.582 6.589 15.092 1.00 20.01 N ATOM 2325 CA HIS A 147 6.486 6.244 13.989 1.00 13.12 C ATOM 2326 C HIS A 147 7.066 7.547 13.417 1.00 3.23 C ATOM 2327 O HIS A 147 6.692 7.969 12.314 1.00 42.10 O ATOM 2328 CB HIS A 147 5.759 5.354 12.964 1.00 64.44 C ATOM 2329 CG HIS A 147 5.471 3.959 13.480 1.00 32.02 C ATOM 2330 ND1 HIS A 147 5.999 2.766 13.019 1.00 32.05 N ATOM 2331 CD2 HIS A 147 4.633 3.645 14.516 1.00 5.45 C ATOM 2332 CE1 HIS A 147 5.466 1.770 13.750 1.00 44.43 C ATOM 2333 NE2 HIS A 147 4.678 2.269 14.712 1.00 71.40 N ATOM 0 H HIS A 147 4.833 7.220 14.809 1.00 20.01 H new ATOM 0 HA HIS A 147 7.330 5.644 14.329 1.00 13.12 H new ATOM 0 HB2 HIS A 147 4.820 5.830 12.681 1.00 64.44 H new ATOM 0 HB3 HIS A 147 6.365 5.282 12.061 1.00 64.44 H new ATOM 0 HD2 HIS A 147 4.039 4.346 15.084 1.00 5.45 H new ATOM 0 HE1 HIS A 147 5.647 0.718 13.585 1.00 44.43 H new ATOM 0 HE2 HIS A 147 4.204 1.742 15.445 1.00 71.40 H new ATOM 2341 N PRO A 148 7.929 8.231 14.193 1.00 40.45 N ATOM 2342 CA PRO A 148 8.326 9.608 13.943 1.00 24.30 C ATOM 2343 C PRO A 148 9.354 9.734 12.831 1.00 22.02 C ATOM 2344 O PRO A 148 9.483 10.870 12.322 1.00 33.44 O ATOM 2345 CB PRO A 148 8.931 10.095 15.266 1.00 40.24 C ATOM 2346 CG PRO A 148 9.558 8.825 15.830 1.00 41.11 C ATOM 2347 CD PRO A 148 8.513 7.783 15.453 1.00 21.20 C ATOM 0 HA PRO A 148 7.468 10.196 13.618 1.00 24.30 H new ATOM 0 HB2 PRO A 148 9.672 10.878 15.109 1.00 40.24 H new ATOM 0 HB3 PRO A 148 8.172 10.504 15.933 1.00 40.24 H new ATOM 0 HG2 PRO A 148 10.530 8.613 15.384 1.00 41.11 H new ATOM 0 HG3 PRO A 148 9.709 8.885 16.908 1.00 41.11 H new ATOM 0 HD2 PRO A 148 8.967 6.798 15.343 1.00 21.20 H new ATOM 0 HD3 PRO A 148 7.751 7.698 16.227 1.00 21.20 H new