USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1001 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 102 THR OG1 : rot 180:sc= 0.858 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.0271 X(o=0.83,f=0.45!) USER MOD Set 2.1: A 100 SER OG : rot -170:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 94 THR OG1 : rot 151:sc= 1.02 USER MOD Set 3.2: A 99 LYS NZ :NH3+ -161:sc= 1.21 (180deg=-0.138) USER MOD Set 4.1: A 43 HIS : no HE2:sc= -0.465 X(o=-0.99,f=-0.86) USER MOD Set 4.2: A 85 MET CE :methyl 142:sc= -0.525 (180deg=-0.816) USER MOD Set 5.1: A 19 MET CE :methyl -144:sc= -0.44 (180deg=-0.448) USER MOD Set 5.2: A 75 THR OG1 : rot 170:sc= -0.0233 USER MOD Set 6.1: A 8 GLN : amide:sc= 0.543 K(o=-0.059,f=-0.62) USER MOD Set 6.2: A 10 GLN : amide:sc= -0.601 K(o=-0.059,f=-0.63) USER MOD Single : A 4 SER OG : rot -27:sc= 0.308 USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.18) USER MOD Single : A 7 TYR OH : rot -17:sc= 0.0174 USER MOD Single : A 11 SER OG : rot 15:sc= 0.716 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.08 K(o=-2.1,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.16) USER MOD Single : A 22 MET CE :methyl -161:sc= -0.104 (180deg=-0.566) USER MOD Single : A 30 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.36) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -2.14 (180deg=-2.38!) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= -0.235 (180deg=-0.239) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0419) USER MOD Single : A 39 SER OG : rot 180:sc= -0.895 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0781 (180deg=-0.44) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.622 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= -0.0214 (180deg=-1.32) USER MOD Single : A 60 HIS : no HE2:sc= 0.336 K(o=0.34,f=-4.1!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.26 F(o=-5!,f=-0.26) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 62:sc= 0.169 USER MOD Single : A 73 THR OG1 : rot -78:sc= 0.954 USER MOD Single : A 74 MET CE :methyl -140:sc= 0 (180deg=-1.74!) USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= 0.152 (180deg=-0.193) USER MOD Single : A 80 LYS NZ :NH3+ 138:sc= 0.385 (180deg=-0.205) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.89! C(o=-2.9!,f=-5.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -161:sc= -4.37! (180deg=-4.59!) USER MOD Single : A 93 THR OG1 : rot 59:sc= 0.366 USER MOD Single : A 96 LYS NZ :NH3+ 141:sc= -0.202 (180deg=-1.2) USER MOD Single : A 105 ASN : amide:sc= 0.0507 X(o=0.051,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 151:sc= -0.63 USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= -0.0267 (180deg=-0.14) USER MOD Single : A 124 SER OG : rot -24:sc= -3.18! USER MOD Single : A 125 LYS NZ :NH3+ -145:sc= 1.12 (180deg=0.214) USER MOD ----------------------------------------------------------------- ATOM 54 N SER A 4 5.502 -12.281 5.630 1.00 0.00 N ATOM 55 CA SER A 4 5.127 -11.089 6.357 1.00 0.00 C ATOM 56 C SER A 4 6.372 -10.321 6.801 1.00 0.00 C ATOM 57 O SER A 4 7.472 -10.566 6.306 1.00 0.00 O ATOM 58 CB SER A 4 4.339 -11.523 7.577 1.00 0.00 C ATOM 59 OG SER A 4 5.027 -12.542 8.279 1.00 0.00 O ATOM 0 HA SER A 4 4.531 -10.435 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.175 -10.669 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.356 -11.884 7.272 1.00 0.00 H new ATOM 0 HG SER A 4 5.596 -13.041 7.656 1.00 0.00 H new ATOM 65 N GLY A 5 6.189 -9.408 7.749 1.00 0.00 N ATOM 66 CA GLY A 5 7.305 -8.700 8.335 1.00 0.00 C ATOM 67 C GLY A 5 7.232 -7.217 8.118 1.00 0.00 C ATOM 68 O GLY A 5 6.268 -6.711 7.552 1.00 0.00 O ATOM 0 H GLY A 5 5.277 -9.146 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.338 -8.905 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.234 -9.080 7.909 1.00 0.00 H new ATOM 72 N LYS A 6 8.256 -6.520 8.566 1.00 0.00 N ATOM 73 CA LYS A 6 8.270 -5.069 8.486 1.00 0.00 C ATOM 74 C LYS A 6 9.045 -4.652 7.243 1.00 0.00 C ATOM 75 O LYS A 6 10.240 -4.920 7.126 1.00 0.00 O ATOM 76 CB LYS A 6 8.958 -4.444 9.704 1.00 0.00 C ATOM 77 CG LYS A 6 9.023 -5.336 10.923 1.00 0.00 C ATOM 78 CD LYS A 6 10.310 -5.130 11.708 1.00 0.00 C ATOM 79 CE LYS A 6 11.541 -5.413 10.857 1.00 0.00 C ATOM 80 NZ LYS A 6 12.801 -5.288 11.631 1.00 0.00 N ATOM 0 H LYS A 6 9.088 -6.931 8.989 1.00 0.00 H new ATOM 0 HA LYS A 6 7.237 -4.724 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.973 -4.160 9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.432 -3.527 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.168 -5.133 11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.949 -6.379 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.351 -4.105 12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.313 -5.784 12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.470 -6.419 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.564 -4.722 10.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.598 -5.151 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.735 -4.472 12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.954 -6.154 12.187 1.00 0.00 H new ATOM 94 N TYR A 7 8.366 -4.005 6.331 1.00 0.00 N ATOM 95 CA TYR A 7 8.972 -3.470 5.134 1.00 0.00 C ATOM 96 C TYR A 7 8.734 -1.975 5.111 1.00 0.00 C ATOM 97 O TYR A 7 7.599 -1.527 5.188 1.00 0.00 O ATOM 98 CB TYR A 7 8.358 -4.115 3.885 1.00 0.00 C ATOM 99 CG TYR A 7 8.538 -5.617 3.802 1.00 0.00 C ATOM 100 CD1 TYR A 7 7.758 -6.477 4.566 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.478 -6.174 2.949 1.00 0.00 C ATOM 102 CE1 TYR A 7 7.913 -7.848 4.480 1.00 0.00 C ATOM 103 CE2 TYR A 7 9.638 -7.543 2.857 1.00 0.00 C ATOM 104 CZ TYR A 7 8.856 -8.376 3.625 1.00 0.00 C ATOM 105 OH TYR A 7 9.017 -9.741 3.535 1.00 0.00 O ATOM 0 H TYR A 7 7.363 -3.831 6.398 1.00 0.00 H new ATOM 0 HA TYR A 7 10.041 -3.685 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.292 -3.887 3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.802 -3.659 3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.018 -6.067 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.096 -5.526 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.298 -8.502 5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.374 -7.958 2.185 1.00 0.00 H new ATOM 0 HH TYR A 7 8.602 -10.171 4.311 1.00 0.00 H new ATOM 115 N GLN A 8 9.788 -1.206 5.007 1.00 0.00 N ATOM 116 CA GLN A 8 9.661 0.230 5.083 1.00 0.00 C ATOM 117 C GLN A 8 9.522 0.778 3.677 1.00 0.00 C ATOM 118 O GLN A 8 10.214 0.323 2.761 1.00 0.00 O ATOM 119 CB GLN A 8 10.890 0.835 5.760 1.00 0.00 C ATOM 120 CG GLN A 8 10.619 2.157 6.443 1.00 0.00 C ATOM 121 CD GLN A 8 11.756 3.145 6.287 1.00 0.00 C ATOM 122 OE1 GLN A 8 12.666 3.202 7.116 1.00 0.00 O ATOM 123 NE2 GLN A 8 11.721 3.921 5.216 1.00 0.00 N ATOM 0 H GLN A 8 10.740 -1.546 4.870 1.00 0.00 H new ATOM 0 HA GLN A 8 8.782 0.490 5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.274 0.128 6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.673 0.975 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.708 2.592 6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.439 1.982 7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.949 3.842 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.466 4.598 5.052 1.00 0.00 H new ATOM 132 N VAL A 9 8.614 1.724 3.484 1.00 0.00 N ATOM 133 CA VAL A 9 8.494 2.354 2.188 1.00 0.00 C ATOM 134 C VAL A 9 9.734 3.203 1.945 1.00 0.00 C ATOM 135 O VAL A 9 10.215 3.913 2.830 1.00 0.00 O ATOM 136 CB VAL A 9 7.200 3.190 2.022 1.00 0.00 C ATOM 137 CG1 VAL A 9 7.390 4.594 2.493 1.00 0.00 C ATOM 138 CG2 VAL A 9 6.729 3.171 0.576 1.00 0.00 C ATOM 0 H VAL A 9 7.965 2.063 4.194 1.00 0.00 H new ATOM 0 HA VAL A 9 8.420 1.566 1.438 1.00 0.00 H new ATOM 0 HB VAL A 9 6.431 2.732 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.462 5.151 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.664 4.590 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.183 5.068 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.819 3.764 0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.504 3.591 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.526 2.144 0.273 1.00 0.00 H new ATOM 148 N GLN A 10 10.245 3.091 0.747 1.00 0.00 N ATOM 149 CA GLN A 10 11.544 3.624 0.393 1.00 0.00 C ATOM 150 C GLN A 10 11.394 4.800 -0.558 1.00 0.00 C ATOM 151 O GLN A 10 11.988 5.861 -0.364 1.00 0.00 O ATOM 152 CB GLN A 10 12.363 2.509 -0.255 1.00 0.00 C ATOM 153 CG GLN A 10 12.874 1.489 0.731 1.00 0.00 C ATOM 154 CD GLN A 10 13.516 2.113 1.957 1.00 0.00 C ATOM 155 OE1 GLN A 10 12.870 2.297 2.984 1.00 0.00 O ATOM 156 NE2 GLN A 10 14.785 2.467 1.850 1.00 0.00 N ATOM 0 H GLN A 10 9.769 2.622 -0.023 1.00 0.00 H new ATOM 0 HA GLN A 10 12.054 3.984 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.750 2.005 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.209 2.950 -0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.048 0.852 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.601 0.846 0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.290 2.298 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.259 2.909 2.637 1.00 0.00 H new ATOM 165 N SER A 11 10.589 4.590 -1.582 1.00 0.00 N ATOM 166 CA SER A 11 10.312 5.598 -2.589 1.00 0.00 C ATOM 167 C SER A 11 9.000 5.275 -3.284 1.00 0.00 C ATOM 168 O SER A 11 8.564 4.123 -3.278 1.00 0.00 O ATOM 169 CB SER A 11 11.452 5.659 -3.603 1.00 0.00 C ATOM 170 OG SER A 11 12.606 6.274 -3.051 1.00 0.00 O ATOM 0 H SER A 11 10.104 3.707 -1.740 1.00 0.00 H new ATOM 0 HA SER A 11 10.229 6.573 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.699 4.651 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.128 6.214 -4.483 1.00 0.00 H new ATOM 0 HG SER A 11 12.521 6.312 -2.075 1.00 0.00 H new ATOM 176 N GLN A 12 8.366 6.279 -3.863 1.00 0.00 N ATOM 177 CA GLN A 12 7.092 6.077 -4.534 1.00 0.00 C ATOM 178 C GLN A 12 7.041 6.804 -5.864 1.00 0.00 C ATOM 179 O GLN A 12 7.805 7.736 -6.117 1.00 0.00 O ATOM 180 CB GLN A 12 5.918 6.511 -3.664 1.00 0.00 C ATOM 181 CG GLN A 12 5.843 5.766 -2.341 1.00 0.00 C ATOM 182 CD GLN A 12 5.762 6.693 -1.148 1.00 0.00 C ATOM 183 OE1 GLN A 12 4.678 7.029 -0.679 1.00 0.00 O ATOM 184 NE2 GLN A 12 6.916 7.129 -0.665 1.00 0.00 N ATOM 0 H GLN A 12 8.710 7.239 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 12 7.006 5.006 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.996 7.580 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.990 6.355 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.971 5.112 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.720 5.127 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.793 6.823 -1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.927 7.770 0.128 1.00 0.00 H new ATOM 193 N GLU A 13 6.156 6.328 -6.708 1.00 0.00 N ATOM 194 CA GLU A 13 5.981 6.831 -8.052 1.00 0.00 C ATOM 195 C GLU A 13 4.567 7.355 -8.221 1.00 0.00 C ATOM 196 O GLU A 13 3.613 6.634 -7.962 1.00 0.00 O ATOM 197 CB GLU A 13 6.224 5.665 -8.990 1.00 0.00 C ATOM 198 CG GLU A 13 7.340 5.880 -9.992 1.00 0.00 C ATOM 199 CD GLU A 13 6.859 6.575 -11.244 1.00 0.00 C ATOM 200 OE1 GLU A 13 6.783 7.819 -11.247 1.00 0.00 O ATOM 201 OE2 GLU A 13 6.550 5.875 -12.233 1.00 0.00 O ATOM 0 H GLU A 13 5.523 5.563 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 13 6.670 7.649 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.453 4.780 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.302 5.455 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.130 6.472 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.777 4.918 -10.258 1.00 0.00 H new ATOM 208 N ASN A 14 4.439 8.600 -8.655 1.00 0.00 N ATOM 209 CA ASN A 14 3.132 9.227 -8.859 1.00 0.00 C ATOM 210 C ASN A 14 2.376 9.378 -7.560 1.00 0.00 C ATOM 211 O ASN A 14 1.154 9.379 -7.548 1.00 0.00 O ATOM 212 CB ASN A 14 2.259 8.438 -9.821 1.00 0.00 C ATOM 213 CG ASN A 14 2.709 8.552 -11.253 1.00 0.00 C ATOM 214 OD1 ASN A 14 2.131 9.270 -12.069 1.00 0.00 O ATOM 215 ND2 ASN A 14 3.774 7.863 -11.532 1.00 0.00 N ATOM 0 H ASN A 14 5.230 9.205 -8.876 1.00 0.00 H new ATOM 0 HA ASN A 14 3.343 10.209 -9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.262 7.388 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.230 8.789 -9.740 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.174 7.900 -12.469 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.210 7.285 -10.814 1.00 0.00 H new ATOM 222 N PHE A 15 3.099 9.518 -6.477 1.00 0.00 N ATOM 223 CA PHE A 15 2.496 9.779 -5.173 1.00 0.00 C ATOM 224 C PHE A 15 1.857 11.168 -5.135 1.00 0.00 C ATOM 225 O PHE A 15 1.387 11.619 -4.099 1.00 0.00 O ATOM 226 CB PHE A 15 3.534 9.621 -4.056 1.00 0.00 C ATOM 227 CG PHE A 15 4.798 10.403 -4.266 1.00 0.00 C ATOM 228 CD1 PHE A 15 5.829 9.880 -5.026 1.00 0.00 C ATOM 229 CD2 PHE A 15 4.958 11.654 -3.700 1.00 0.00 C ATOM 230 CE1 PHE A 15 6.995 10.590 -5.221 1.00 0.00 C ATOM 231 CE2 PHE A 15 6.123 12.367 -3.894 1.00 0.00 C ATOM 232 CZ PHE A 15 7.142 11.836 -4.655 1.00 0.00 C ATOM 0 H PHE A 15 4.117 9.457 -6.463 1.00 0.00 H new ATOM 0 HA PHE A 15 1.708 9.044 -5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.084 9.929 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.787 8.565 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.719 8.903 -5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.165 12.077 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.791 10.169 -5.817 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.237 13.344 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.053 12.396 -4.807 1.00 0.00 H new ATOM 242 N GLU A 16 1.841 11.828 -6.285 1.00 0.00 N ATOM 243 CA GLU A 16 1.371 13.211 -6.388 1.00 0.00 C ATOM 244 C GLU A 16 0.194 13.349 -7.353 1.00 0.00 C ATOM 245 O GLU A 16 -0.801 13.976 -7.017 1.00 0.00 O ATOM 246 CB GLU A 16 2.538 14.096 -6.787 1.00 0.00 C ATOM 247 CG GLU A 16 3.692 13.919 -5.845 1.00 0.00 C ATOM 248 CD GLU A 16 4.738 14.999 -5.961 1.00 0.00 C ATOM 249 OE1 GLU A 16 5.519 14.978 -6.935 1.00 0.00 O ATOM 250 OE2 GLU A 16 4.786 15.867 -5.068 1.00 0.00 O ATOM 0 H GLU A 16 2.151 11.427 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 16 0.994 13.531 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.852 13.854 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.223 15.140 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.315 13.898 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.158 12.952 -6.033 1.00 0.00 H new ATOM 257 N PRO A 17 0.252 12.750 -8.549 1.00 0.00 N ATOM 258 CA PRO A 17 -0.893 12.731 -9.442 1.00 0.00 C ATOM 259 C PRO A 17 -1.995 11.881 -8.851 1.00 0.00 C ATOM 260 O PRO A 17 -3.182 12.100 -9.071 1.00 0.00 O ATOM 261 CB PRO A 17 -0.381 12.086 -10.701 1.00 0.00 C ATOM 262 CG PRO A 17 0.807 11.314 -10.281 1.00 0.00 C ATOM 263 CD PRO A 17 1.387 12.025 -9.101 1.00 0.00 C ATOM 0 HA PRO A 17 -1.300 13.727 -9.614 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.135 11.438 -11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.121 12.834 -11.450 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.532 10.292 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.534 11.252 -11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.807 11.326 -8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.190 12.701 -9.395 1.00 0.00 H new ATOM 271 N PHE A 18 -1.552 10.905 -8.087 1.00 0.00 N ATOM 272 CA PHE A 18 -2.418 10.019 -7.359 1.00 0.00 C ATOM 273 C PHE A 18 -3.171 10.803 -6.303 1.00 0.00 C ATOM 274 O PHE A 18 -4.395 10.758 -6.238 1.00 0.00 O ATOM 275 CB PHE A 18 -1.527 8.937 -6.745 1.00 0.00 C ATOM 276 CG PHE A 18 -2.191 7.965 -5.804 1.00 0.00 C ATOM 277 CD1 PHE A 18 -2.769 8.374 -4.613 1.00 0.00 C ATOM 278 CD2 PHE A 18 -2.237 6.622 -6.133 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.379 7.463 -3.776 1.00 0.00 C ATOM 280 CE2 PHE A 18 -2.844 5.705 -5.299 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.417 6.126 -4.118 1.00 0.00 C ATOM 0 H PHE A 18 -0.560 10.706 -7.956 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.166 9.555 -8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.074 8.368 -7.557 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.715 9.429 -6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.742 9.418 -4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.791 6.286 -7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.828 7.796 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.870 4.660 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.894 5.412 -3.463 1.00 0.00 H new ATOM 291 N MET A 19 -2.426 11.544 -5.498 1.00 0.00 N ATOM 292 CA MET A 19 -3.035 12.410 -4.493 1.00 0.00 C ATOM 293 C MET A 19 -3.919 13.454 -5.157 1.00 0.00 C ATOM 294 O MET A 19 -5.020 13.743 -4.682 1.00 0.00 O ATOM 295 CB MET A 19 -1.987 13.143 -3.646 1.00 0.00 C ATOM 296 CG MET A 19 -1.147 12.256 -2.743 1.00 0.00 C ATOM 297 SD MET A 19 -2.133 11.115 -1.753 1.00 0.00 S ATOM 298 CE MET A 19 -3.143 12.254 -0.812 1.00 0.00 C ATOM 0 H MET A 19 -1.406 11.566 -5.518 1.00 0.00 H new ATOM 0 HA MET A 19 -3.624 11.762 -3.843 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.320 13.688 -4.314 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.496 13.884 -3.029 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.447 11.686 -3.354 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.553 12.883 -2.079 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.299 11.858 0.192 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.640 13.219 -0.748 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.107 12.379 -1.306 1.00 0.00 H new ATOM 308 N LYS A 20 -3.432 14.005 -6.266 1.00 0.00 N ATOM 309 CA LYS A 20 -4.087 15.129 -6.908 1.00 0.00 C ATOM 310 C LYS A 20 -5.419 14.716 -7.521 1.00 0.00 C ATOM 311 O LYS A 20 -6.374 15.495 -7.533 1.00 0.00 O ATOM 312 CB LYS A 20 -3.162 15.782 -7.947 1.00 0.00 C ATOM 313 CG LYS A 20 -3.196 15.171 -9.339 1.00 0.00 C ATOM 314 CD LYS A 20 -2.107 15.777 -10.212 1.00 0.00 C ATOM 315 CE LYS A 20 -2.275 17.278 -10.381 1.00 0.00 C ATOM 316 NZ LYS A 20 -1.124 17.873 -11.110 1.00 0.00 N ATOM 0 H LYS A 20 -2.584 13.687 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.302 15.876 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.424 16.837 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.139 15.735 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.059 14.092 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.172 15.341 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.132 15.570 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.121 15.299 -11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.197 17.484 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.370 17.748 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.235 18.906 -11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.240 17.639 -10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.090 17.491 -12.077 1.00 0.00 H new ATOM 330 N ALA A 21 -5.486 13.485 -8.015 1.00 0.00 N ATOM 331 CA ALA A 21 -6.721 12.960 -8.574 1.00 0.00 C ATOM 332 C ALA A 21 -7.751 12.687 -7.477 1.00 0.00 C ATOM 333 O ALA A 21 -8.952 12.635 -7.740 1.00 0.00 O ATOM 334 CB ALA A 21 -6.455 11.709 -9.392 1.00 0.00 C ATOM 0 H ALA A 21 -4.700 12.835 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.136 13.718 -9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.394 11.335 -9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.773 11.946 -10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.006 10.946 -8.755 1.00 0.00 H new ATOM 340 N MET A 22 -7.269 12.503 -6.249 1.00 0.00 N ATOM 341 CA MET A 22 -8.145 12.257 -5.105 1.00 0.00 C ATOM 342 C MET A 22 -8.629 13.563 -4.509 1.00 0.00 C ATOM 343 O MET A 22 -9.789 13.948 -4.664 1.00 0.00 O ATOM 344 CB MET A 22 -7.420 11.470 -4.011 1.00 0.00 C ATOM 345 CG MET A 22 -6.788 10.190 -4.492 1.00 0.00 C ATOM 346 SD MET A 22 -7.994 9.007 -5.124 1.00 0.00 S ATOM 347 CE MET A 22 -8.936 8.661 -3.639 1.00 0.00 C ATOM 0 H MET A 22 -6.275 12.520 -6.021 1.00 0.00 H new ATOM 0 HA MET A 22 -8.992 11.677 -5.471 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.647 12.103 -3.574 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.128 11.237 -3.216 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.066 10.419 -5.276 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.234 9.734 -3.672 1.00 0.00 H new ATOM 0 HE1 MET A 22 -9.483 7.726 -3.764 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.258 8.574 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.641 9.472 -3.458 1.00 0.00 H new ATOM 357 N GLY A 23 -7.719 14.255 -3.844 1.00 0.00 N ATOM 358 CA GLY A 23 -8.107 15.431 -3.105 1.00 0.00 C ATOM 359 C GLY A 23 -6.961 16.356 -2.741 1.00 0.00 C ATOM 360 O GLY A 23 -7.149 17.570 -2.679 1.00 0.00 O ATOM 0 H GLY A 23 -6.726 14.024 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.835 15.990 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.609 15.119 -2.189 1.00 0.00 H new ATOM 364 N LEU A 24 -5.781 15.811 -2.482 1.00 0.00 N ATOM 365 CA LEU A 24 -4.664 16.629 -2.085 1.00 0.00 C ATOM 366 C LEU A 24 -3.949 17.152 -3.317 1.00 0.00 C ATOM 367 O LEU A 24 -3.532 16.378 -4.173 1.00 0.00 O ATOM 368 CB LEU A 24 -3.707 15.811 -1.233 1.00 0.00 C ATOM 369 CG LEU A 24 -2.542 16.588 -0.643 1.00 0.00 C ATOM 370 CD1 LEU A 24 -2.976 17.295 0.620 1.00 0.00 C ATOM 371 CD2 LEU A 24 -1.375 15.667 -0.393 1.00 0.00 C ATOM 0 H LEU A 24 -5.581 14.812 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.025 17.475 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.270 15.356 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.310 14.997 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.217 17.347 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.134 17.849 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.787 17.986 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.321 16.561 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.547 16.236 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.672 14.885 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.061 15.214 -1.333 1.00 0.00 H new ATOM 383 N PRO A 25 -3.788 18.470 -3.418 1.00 0.00 N ATOM 384 CA PRO A 25 -3.144 19.095 -4.568 1.00 0.00 C ATOM 385 C PRO A 25 -1.648 18.843 -4.565 1.00 0.00 C ATOM 386 O PRO A 25 -1.039 18.736 -3.499 1.00 0.00 O ATOM 387 CB PRO A 25 -3.437 20.578 -4.367 1.00 0.00 C ATOM 388 CG PRO A 25 -3.512 20.712 -2.899 1.00 0.00 C ATOM 389 CD PRO A 25 -4.180 19.462 -2.408 1.00 0.00 C ATOM 0 HA PRO A 25 -3.507 18.705 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.651 21.204 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.371 20.872 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.518 20.820 -2.465 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.082 21.597 -2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.836 19.183 -1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.262 19.577 -2.351 1.00 0.00 H new ATOM 397 N GLU A 26 -1.067 18.752 -5.752 1.00 0.00 N ATOM 398 CA GLU A 26 0.360 18.535 -5.912 1.00 0.00 C ATOM 399 C GLU A 26 1.168 19.484 -5.057 1.00 0.00 C ATOM 400 O GLU A 26 2.101 19.047 -4.431 1.00 0.00 O ATOM 401 CB GLU A 26 0.740 18.702 -7.373 1.00 0.00 C ATOM 402 CG GLU A 26 1.868 17.802 -7.832 1.00 0.00 C ATOM 403 CD GLU A 26 2.080 17.885 -9.328 1.00 0.00 C ATOM 404 OE1 GLU A 26 1.344 17.201 -10.079 1.00 0.00 O ATOM 405 OE2 GLU A 26 2.972 18.638 -9.765 1.00 0.00 O ATOM 0 H GLU A 26 -1.575 18.827 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 26 0.586 17.520 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.138 18.507 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.026 19.740 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.788 18.082 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.648 16.772 -7.553 1.00 0.00 H new ATOM 412 N ASP A 27 0.793 20.753 -4.977 1.00 0.00 N ATOM 413 CA ASP A 27 1.547 21.699 -4.152 1.00 0.00 C ATOM 414 C ASP A 27 1.526 21.288 -2.685 1.00 0.00 C ATOM 415 O ASP A 27 2.538 21.377 -2.009 1.00 0.00 O ATOM 416 CB ASP A 27 1.019 23.114 -4.311 1.00 0.00 C ATOM 417 CG ASP A 27 1.614 24.077 -3.305 1.00 0.00 C ATOM 418 OD1 ASP A 27 2.819 24.377 -3.404 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.868 24.557 -2.427 1.00 0.00 O ATOM 0 H ASP A 27 -0.012 21.150 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 27 2.580 21.680 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.237 23.467 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.066 23.107 -4.203 1.00 0.00 H new ATOM 424 N LEU A 28 0.407 20.774 -2.208 1.00 0.00 N ATOM 425 CA LEU A 28 0.348 20.288 -0.834 1.00 0.00 C ATOM 426 C LEU A 28 1.170 19.023 -0.710 1.00 0.00 C ATOM 427 O LEU A 28 1.813 18.782 0.313 1.00 0.00 O ATOM 428 CB LEU A 28 -1.092 20.052 -0.389 1.00 0.00 C ATOM 429 CG LEU A 28 -1.825 21.329 0.007 1.00 0.00 C ATOM 430 CD1 LEU A 28 -3.300 21.081 0.244 1.00 0.00 C ATOM 431 CD2 LEU A 28 -1.205 21.884 1.256 1.00 0.00 C ATOM 0 H LEU A 28 -0.460 20.681 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 28 0.766 21.050 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.638 19.565 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.094 19.364 0.457 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.735 22.040 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.786 22.016 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.755 20.695 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.422 20.354 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.724 22.798 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.286 21.151 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.154 22.107 1.072 1.00 0.00 H new ATOM 443 N ILE A 29 1.156 18.232 -1.767 1.00 0.00 N ATOM 444 CA ILE A 29 2.013 17.076 -1.857 1.00 0.00 C ATOM 445 C ILE A 29 3.476 17.488 -1.874 1.00 0.00 C ATOM 446 O ILE A 29 4.260 16.954 -1.137 1.00 0.00 O ATOM 447 CB ILE A 29 1.726 16.270 -3.111 1.00 0.00 C ATOM 448 CG1 ILE A 29 0.245 16.001 -3.236 1.00 0.00 C ATOM 449 CG2 ILE A 29 2.465 14.962 -3.037 1.00 0.00 C ATOM 450 CD1 ILE A 29 -0.179 15.624 -4.614 1.00 0.00 C ATOM 0 H ILE A 29 0.554 18.375 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 29 1.810 16.462 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 29 2.056 16.837 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.030 15.201 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.305 16.890 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.263 14.378 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.536 15.153 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.133 14.406 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.254 15.446 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.064 16.433 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.343 14.717 -4.920 1.00 0.00 H new ATOM 462 N GLN A 30 3.800 18.505 -2.656 1.00 0.00 N ATOM 463 CA GLN A 30 5.177 18.958 -2.865 1.00 0.00 C ATOM 464 C GLN A 30 5.908 19.170 -1.562 1.00 0.00 C ATOM 465 O GLN A 30 7.044 18.743 -1.377 1.00 0.00 O ATOM 466 CB GLN A 30 5.151 20.303 -3.553 1.00 0.00 C ATOM 467 CG GLN A 30 4.527 20.295 -4.899 1.00 0.00 C ATOM 468 CD GLN A 30 5.348 19.568 -5.934 1.00 0.00 C ATOM 469 OE1 GLN A 30 6.170 20.164 -6.630 1.00 0.00 O ATOM 470 NE2 GLN A 30 5.147 18.269 -6.024 1.00 0.00 N ATOM 0 H GLN A 30 3.110 19.050 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 30 5.681 18.190 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.613 21.009 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.173 20.671 -3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.544 19.829 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.371 21.323 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.455 17.817 -5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.684 17.715 -6.691 1.00 0.00 H new ATOM 479 N LYS A 31 5.243 19.861 -0.675 1.00 0.00 N ATOM 480 CA LYS A 31 5.821 20.203 0.611 1.00 0.00 C ATOM 481 C LYS A 31 5.991 18.961 1.469 1.00 0.00 C ATOM 482 O LYS A 31 6.914 18.873 2.277 1.00 0.00 O ATOM 483 CB LYS A 31 4.968 21.222 1.335 1.00 0.00 C ATOM 484 CG LYS A 31 5.090 22.647 0.776 1.00 0.00 C ATOM 485 CD LYS A 31 4.457 22.805 -0.604 1.00 0.00 C ATOM 486 CE LYS A 31 5.460 23.219 -1.680 1.00 0.00 C ATOM 487 NZ LYS A 31 6.755 22.495 -1.561 1.00 0.00 N ATOM 0 H LYS A 31 4.292 20.204 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 31 6.802 20.642 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.925 20.910 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.246 21.231 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.617 23.344 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.144 22.920 0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.991 21.863 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.663 23.550 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.031 23.030 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.640 24.292 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.315 22.640 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.282 22.859 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.574 21.479 -1.432 1.00 0.00 H new ATOM 501 N GLY A 32 5.107 17.998 1.277 1.00 0.00 N ATOM 502 CA GLY A 32 5.123 16.819 2.103 1.00 0.00 C ATOM 503 C GLY A 32 5.239 15.531 1.302 1.00 0.00 C ATOM 504 O GLY A 32 4.715 14.496 1.702 1.00 0.00 O ATOM 0 H GLY A 32 4.379 18.014 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.958 16.883 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.211 16.788 2.699 1.00 0.00 H new ATOM 508 N LYS A 33 5.925 15.595 0.169 1.00 0.00 N ATOM 509 CA LYS A 33 5.859 14.532 -0.830 1.00 0.00 C ATOM 510 C LYS A 33 6.727 13.334 -0.474 1.00 0.00 C ATOM 511 O LYS A 33 6.340 12.184 -0.666 1.00 0.00 O ATOM 512 CB LYS A 33 6.282 15.096 -2.178 1.00 0.00 C ATOM 513 CG LYS A 33 7.667 15.669 -2.174 1.00 0.00 C ATOM 514 CD LYS A 33 7.942 16.524 -3.390 1.00 0.00 C ATOM 515 CE LYS A 33 7.882 15.745 -4.694 1.00 0.00 C ATOM 516 NZ LYS A 33 8.897 14.664 -4.761 1.00 0.00 N ATOM 0 H LYS A 33 6.535 16.372 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 33 4.830 14.174 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.225 14.307 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.577 15.871 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.807 16.267 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.393 14.857 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.217 17.337 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.927 16.979 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.888 15.313 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.030 16.430 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.824 14.176 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.848 15.074 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.731 13.984 -3.992 1.00 0.00 H new ATOM 530 N ASP A 34 7.901 13.614 0.058 1.00 0.00 N ATOM 531 CA ASP A 34 8.929 12.592 0.196 1.00 0.00 C ATOM 532 C ASP A 34 8.998 12.056 1.623 1.00 0.00 C ATOM 533 O ASP A 34 10.072 11.939 2.212 1.00 0.00 O ATOM 534 CB ASP A 34 10.286 13.167 -0.225 1.00 0.00 C ATOM 535 CG ASP A 34 11.330 12.094 -0.458 1.00 0.00 C ATOM 536 OD1 ASP A 34 11.255 11.401 -1.495 1.00 0.00 O ATOM 537 OD2 ASP A 34 12.234 11.941 0.387 1.00 0.00 O ATOM 0 H ASP A 34 8.169 14.536 0.402 1.00 0.00 H new ATOM 0 HA ASP A 34 8.671 11.757 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.161 13.751 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.641 13.852 0.546 1.00 0.00 H new ATOM 542 N ILE A 35 7.845 11.744 2.185 1.00 0.00 N ATOM 543 CA ILE A 35 7.775 11.156 3.502 1.00 0.00 C ATOM 544 C ILE A 35 7.908 9.636 3.434 1.00 0.00 C ATOM 545 O ILE A 35 7.227 8.976 2.646 1.00 0.00 O ATOM 546 CB ILE A 35 6.466 11.535 4.166 1.00 0.00 C ATOM 547 CG1 ILE A 35 6.305 13.052 4.150 1.00 0.00 C ATOM 548 CG2 ILE A 35 6.410 11.020 5.586 1.00 0.00 C ATOM 549 CD1 ILE A 35 5.231 13.507 5.073 1.00 0.00 C ATOM 0 H ILE A 35 6.938 11.891 1.742 1.00 0.00 H new ATOM 0 HA ILE A 35 8.605 11.542 4.094 1.00 0.00 H new ATOM 0 HB ILE A 35 5.648 11.077 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.248 13.520 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.076 13.382 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.461 11.306 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.498 9.934 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.230 11.449 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.150 14.593 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.282 13.061 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.472 13.201 6.091 1.00 0.00 H new ATOM 561 N LYS A 36 8.804 9.093 4.243 1.00 0.00 N ATOM 562 CA LYS A 36 8.998 7.652 4.320 1.00 0.00 C ATOM 563 C LYS A 36 8.174 7.080 5.469 1.00 0.00 C ATOM 564 O LYS A 36 7.949 7.742 6.484 1.00 0.00 O ATOM 565 CB LYS A 36 10.490 7.304 4.478 1.00 0.00 C ATOM 566 CG LYS A 36 11.165 7.877 5.698 1.00 0.00 C ATOM 567 CD LYS A 36 11.048 6.930 6.879 1.00 0.00 C ATOM 568 CE LYS A 36 11.627 7.550 8.122 1.00 0.00 C ATOM 569 NZ LYS A 36 13.103 7.690 8.042 1.00 0.00 N ATOM 0 H LYS A 36 9.412 9.632 4.860 1.00 0.00 H new ATOM 0 HA LYS A 36 8.656 7.201 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.591 6.219 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.022 7.652 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.216 8.066 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.714 8.837 5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.001 6.679 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.568 5.998 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.178 8.531 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.368 6.938 8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.470 8.026 8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.527 6.768 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.347 8.375 7.298 1.00 0.00 H new ATOM 583 N GLY A 37 7.711 5.860 5.291 1.00 0.00 N ATOM 584 CA GLY A 37 6.892 5.215 6.290 1.00 0.00 C ATOM 585 C GLY A 37 7.211 3.744 6.384 1.00 0.00 C ATOM 586 O GLY A 37 7.935 3.222 5.547 1.00 0.00 O ATOM 0 H GLY A 37 7.890 5.296 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.054 5.688 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.839 5.347 6.042 1.00 0.00 H new ATOM 590 N VAL A 38 6.664 3.062 7.376 1.00 0.00 N ATOM 591 CA VAL A 38 7.022 1.669 7.611 1.00 0.00 C ATOM 592 C VAL A 38 5.790 0.783 7.548 1.00 0.00 C ATOM 593 O VAL A 38 4.765 1.106 8.136 1.00 0.00 O ATOM 594 CB VAL A 38 7.701 1.486 8.982 1.00 0.00 C ATOM 595 CG1 VAL A 38 8.321 0.108 9.082 1.00 0.00 C ATOM 596 CG2 VAL A 38 8.738 2.561 9.219 1.00 0.00 C ATOM 0 H VAL A 38 5.977 3.443 8.027 1.00 0.00 H new ATOM 0 HA VAL A 38 7.724 1.380 6.829 1.00 0.00 H new ATOM 0 HB VAL A 38 6.940 1.579 9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.797 -0.007 10.056 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.546 -0.649 8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.067 -0.013 8.297 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.203 2.410 10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.500 2.509 8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.260 3.540 9.193 1.00 0.00 H new ATOM 606 N SER A 39 5.893 -0.323 6.822 1.00 0.00 N ATOM 607 CA SER A 39 4.792 -1.266 6.699 1.00 0.00 C ATOM 608 C SER A 39 5.154 -2.590 7.373 1.00 0.00 C ATOM 609 O SER A 39 6.104 -3.236 6.993 1.00 0.00 O ATOM 610 CB SER A 39 4.497 -1.505 5.214 1.00 0.00 C ATOM 611 OG SER A 39 4.455 -0.278 4.502 1.00 0.00 O ATOM 0 H SER A 39 6.733 -0.589 6.308 1.00 0.00 H new ATOM 0 HA SER A 39 3.909 -0.854 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.263 -2.152 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.545 -2.025 5.107 1.00 0.00 H new ATOM 0 HG SER A 39 4.267 -0.455 3.557 1.00 0.00 H new ATOM 617 N GLU A 40 4.382 -3.000 8.355 1.00 0.00 N ATOM 618 CA GLU A 40 4.670 -4.212 9.099 1.00 0.00 C ATOM 619 C GLU A 40 3.521 -5.196 8.956 1.00 0.00 C ATOM 620 O GLU A 40 2.393 -4.904 9.315 1.00 0.00 O ATOM 621 CB GLU A 40 4.876 -3.854 10.557 1.00 0.00 C ATOM 622 CG GLU A 40 5.977 -2.862 10.784 1.00 0.00 C ATOM 623 CD GLU A 40 6.163 -2.489 12.242 1.00 0.00 C ATOM 624 OE1 GLU A 40 5.317 -1.744 12.784 1.00 0.00 O ATOM 625 OE2 GLU A 40 7.164 -2.921 12.851 1.00 0.00 O ATOM 0 H GLU A 40 3.542 -2.509 8.661 1.00 0.00 H new ATOM 0 HA GLU A 40 5.573 -4.680 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.946 -3.450 10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.096 -4.763 11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.911 -3.273 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.766 -1.960 10.210 1.00 0.00 H new ATOM 632 N ILE A 41 3.824 -6.372 8.477 1.00 0.00 N ATOM 633 CA ILE A 41 2.796 -7.311 8.069 1.00 0.00 C ATOM 634 C ILE A 41 2.849 -8.607 8.862 1.00 0.00 C ATOM 635 O ILE A 41 3.921 -9.111 9.180 1.00 0.00 O ATOM 636 CB ILE A 41 2.905 -7.604 6.565 1.00 0.00 C ATOM 637 CG1 ILE A 41 2.601 -6.329 5.781 1.00 0.00 C ATOM 638 CG2 ILE A 41 1.956 -8.723 6.160 1.00 0.00 C ATOM 639 CD1 ILE A 41 2.962 -6.419 4.321 1.00 0.00 C ATOM 0 H ILE A 41 4.778 -6.711 8.356 1.00 0.00 H new ATOM 0 HA ILE A 41 1.834 -6.843 8.277 1.00 0.00 H new ATOM 0 HB ILE A 41 3.919 -7.934 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.539 -6.102 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.144 -5.498 6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.052 -8.912 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.205 -9.629 6.712 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.931 -8.430 6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.719 -5.478 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.030 -6.615 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.399 -7.229 3.856 1.00 0.00 H new ATOM 651 N VAL A 42 1.679 -9.096 9.236 1.00 0.00 N ATOM 652 CA VAL A 42 1.542 -10.416 9.827 1.00 0.00 C ATOM 653 C VAL A 42 0.864 -11.346 8.827 1.00 0.00 C ATOM 654 O VAL A 42 -0.299 -11.133 8.466 1.00 0.00 O ATOM 655 CB VAL A 42 0.731 -10.371 11.136 1.00 0.00 C ATOM 656 CG1 VAL A 42 0.499 -11.772 11.681 1.00 0.00 C ATOM 657 CG2 VAL A 42 1.454 -9.512 12.155 1.00 0.00 C ATOM 0 H VAL A 42 0.799 -8.590 9.139 1.00 0.00 H new ATOM 0 HA VAL A 42 2.538 -10.788 10.069 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.244 -9.931 10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.076 -11.712 12.605 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.053 -12.361 10.948 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.459 -12.248 11.881 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.878 -9.482 13.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.439 -9.935 12.354 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.566 -8.501 11.764 1.00 0.00 H new ATOM 667 N HIS A 43 1.575 -12.365 8.366 1.00 0.00 N ATOM 668 CA HIS A 43 1.037 -13.247 7.349 1.00 0.00 C ATOM 669 C HIS A 43 0.427 -14.495 7.955 1.00 0.00 C ATOM 670 O HIS A 43 1.079 -15.247 8.673 1.00 0.00 O ATOM 671 CB HIS A 43 2.101 -13.673 6.328 1.00 0.00 C ATOM 672 CG HIS A 43 1.577 -14.670 5.329 1.00 0.00 C ATOM 673 ND1 HIS A 43 2.066 -15.951 5.225 1.00 0.00 N ATOM 674 CD2 HIS A 43 0.574 -14.581 4.419 1.00 0.00 C ATOM 675 CE1 HIS A 43 1.404 -16.601 4.289 1.00 0.00 C ATOM 676 NE2 HIS A 43 0.491 -15.797 3.784 1.00 0.00 N ATOM 0 H HIS A 43 2.518 -12.598 8.679 1.00 0.00 H new ATOM 0 HA HIS A 43 0.264 -12.672 6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.466 -12.792 5.800 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.952 -14.104 6.854 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.825 -16.339 5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.044 -13.716 4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.581 -17.623 3.986 1.00 0.00 H new ATOM 685 N GLU A 44 -0.833 -14.675 7.654 1.00 0.00 N ATOM 686 CA GLU A 44 -1.509 -15.937 7.808 1.00 0.00 C ATOM 687 C GLU A 44 -2.202 -16.203 6.491 1.00 0.00 C ATOM 688 O GLU A 44 -2.584 -15.246 5.815 1.00 0.00 O ATOM 689 CB GLU A 44 -2.509 -15.922 8.959 1.00 0.00 C ATOM 690 CG GLU A 44 -3.076 -17.293 9.282 1.00 0.00 C ATOM 691 CD GLU A 44 -2.025 -18.393 9.261 1.00 0.00 C ATOM 692 OE1 GLU A 44 -1.272 -18.535 10.248 1.00 0.00 O ATOM 693 OE2 GLU A 44 -1.952 -19.131 8.254 1.00 0.00 O ATOM 0 H GLU A 44 -1.430 -13.933 7.288 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.795 -16.723 8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.023 -15.519 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.328 -15.247 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.543 -17.264 10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.860 -17.534 8.564 1.00 0.00 H new ATOM 700 N GLY A 45 -2.244 -17.456 6.062 1.00 0.00 N ATOM 701 CA GLY A 45 -2.960 -17.789 4.844 1.00 0.00 C ATOM 702 C GLY A 45 -4.282 -17.053 4.781 1.00 0.00 C ATOM 703 O GLY A 45 -4.986 -16.967 5.792 1.00 0.00 O ATOM 0 H GLY A 45 -1.799 -18.245 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.352 -17.530 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.134 -18.864 4.801 1.00 0.00 H new ATOM 707 N LYS A 46 -4.600 -16.502 3.604 1.00 0.00 N ATOM 708 CA LYS A 46 -5.788 -15.648 3.379 1.00 0.00 C ATOM 709 C LYS A 46 -5.709 -14.322 4.134 1.00 0.00 C ATOM 710 O LYS A 46 -5.886 -13.257 3.548 1.00 0.00 O ATOM 711 CB LYS A 46 -7.135 -16.337 3.706 1.00 0.00 C ATOM 712 CG LYS A 46 -7.052 -17.817 4.036 1.00 0.00 C ATOM 713 CD LYS A 46 -8.417 -18.449 4.175 1.00 0.00 C ATOM 714 CE LYS A 46 -8.861 -19.036 2.856 1.00 0.00 C ATOM 715 NZ LYS A 46 -10.326 -19.279 2.818 1.00 0.00 N ATOM 0 H LYS A 46 -4.036 -16.634 2.765 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.768 -15.455 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.592 -15.820 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.804 -16.210 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.494 -18.331 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.496 -17.950 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.388 -19.229 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.138 -17.703 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.585 -18.359 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.334 -19.974 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.587 -19.682 1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.587 -19.945 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.831 -18.381 2.959 1.00 0.00 H new ATOM 729 N LYS A 47 -5.431 -14.396 5.419 1.00 0.00 N ATOM 730 CA LYS A 47 -5.584 -13.252 6.317 1.00 0.00 C ATOM 731 C LYS A 47 -4.265 -12.544 6.582 1.00 0.00 C ATOM 732 O LYS A 47 -3.392 -13.053 7.289 1.00 0.00 O ATOM 733 CB LYS A 47 -6.219 -13.735 7.614 1.00 0.00 C ATOM 734 CG LYS A 47 -7.510 -14.451 7.347 1.00 0.00 C ATOM 735 CD LYS A 47 -8.024 -15.169 8.560 1.00 0.00 C ATOM 736 CE LYS A 47 -9.062 -16.187 8.139 1.00 0.00 C ATOM 737 NZ LYS A 47 -9.378 -17.148 9.227 1.00 0.00 N ATOM 0 H LYS A 47 -5.094 -15.243 5.876 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.229 -12.515 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.531 -14.401 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.400 -12.886 8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.257 -13.734 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.365 -15.167 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.203 -15.664 9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.460 -14.457 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.973 -15.671 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.701 -16.733 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.093 -17.826 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.515 -17.660 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.748 -16.631 10.050 1.00 0.00 H new ATOM 751 N VAL A 48 -4.139 -11.352 6.029 1.00 0.00 N ATOM 752 CA VAL A 48 -2.901 -10.600 6.097 1.00 0.00 C ATOM 753 C VAL A 48 -3.127 -9.231 6.741 1.00 0.00 C ATOM 754 O VAL A 48 -4.036 -8.492 6.358 1.00 0.00 O ATOM 755 CB VAL A 48 -2.301 -10.449 4.682 1.00 0.00 C ATOM 756 CG1 VAL A 48 -1.064 -9.549 4.684 1.00 0.00 C ATOM 757 CG2 VAL A 48 -1.936 -11.819 4.135 1.00 0.00 C ATOM 0 H VAL A 48 -4.888 -10.880 5.523 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.195 -11.146 6.722 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.053 -9.981 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.671 -9.468 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.335 -8.558 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.302 -9.979 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.513 -11.711 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.203 -12.289 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.830 -12.441 4.085 1.00 0.00 H new ATOM 767 N LYS A 49 -2.306 -8.914 7.736 1.00 0.00 N ATOM 768 CA LYS A 49 -2.391 -7.651 8.441 1.00 0.00 C ATOM 769 C LYS A 49 -1.196 -6.795 8.086 1.00 0.00 C ATOM 770 O LYS A 49 -0.068 -7.273 8.067 1.00 0.00 O ATOM 771 CB LYS A 49 -2.413 -7.874 9.938 1.00 0.00 C ATOM 772 CG LYS A 49 -3.532 -8.766 10.419 1.00 0.00 C ATOM 773 CD LYS A 49 -3.261 -9.273 11.822 1.00 0.00 C ATOM 774 CE LYS A 49 -4.391 -10.154 12.333 1.00 0.00 C ATOM 775 NZ LYS A 49 -4.769 -11.197 11.342 1.00 0.00 N ATOM 0 H LYS A 49 -1.565 -9.529 8.073 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.313 -7.150 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.461 -8.309 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.495 -6.908 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.473 -8.215 10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.646 -9.611 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.328 -9.837 11.831 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.128 -8.426 12.495 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.087 -10.631 13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.260 -9.536 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.377 -11.906 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.284 -10.756 10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.911 -11.659 10.979 1.00 0.00 H new ATOM 789 N LEU A 50 -1.455 -5.546 7.819 1.00 0.00 N ATOM 790 CA LEU A 50 -0.428 -4.604 7.412 1.00 0.00 C ATOM 791 C LEU A 50 -0.458 -3.415 8.340 1.00 0.00 C ATOM 792 O LEU A 50 -1.503 -2.808 8.535 1.00 0.00 O ATOM 793 CB LEU A 50 -0.694 -4.168 5.970 1.00 0.00 C ATOM 794 CG LEU A 50 0.510 -3.726 5.145 1.00 0.00 C ATOM 795 CD1 LEU A 50 0.073 -3.284 3.769 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.244 -2.623 5.837 1.00 0.00 C ATOM 0 H LEU A 50 -2.389 -5.141 7.875 1.00 0.00 H new ATOM 0 HA LEU A 50 0.557 -5.068 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.175 -4.996 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.410 -3.346 5.992 1.00 0.00 H new ATOM 0 HG LEU A 50 1.184 -4.576 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.944 -2.972 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.420 -4.112 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.621 -2.448 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.100 -2.321 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.577 -1.772 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.591 -2.971 6.810 1.00 0.00 H new ATOM 808 N THR A 51 0.670 -3.088 8.934 1.00 0.00 N ATOM 809 CA THR A 51 0.725 -1.903 9.742 1.00 0.00 C ATOM 810 C THR A 51 1.595 -0.881 9.041 1.00 0.00 C ATOM 811 O THR A 51 2.760 -1.123 8.796 1.00 0.00 O ATOM 812 CB THR A 51 1.297 -2.221 11.143 1.00 0.00 C ATOM 813 OG1 THR A 51 0.661 -3.397 11.667 1.00 0.00 O ATOM 814 CG2 THR A 51 1.069 -1.068 12.105 1.00 0.00 C ATOM 0 H THR A 51 1.540 -3.617 8.872 1.00 0.00 H new ATOM 0 HA THR A 51 -0.282 -1.507 9.875 1.00 0.00 H new ATOM 0 HB THR A 51 2.370 -2.383 11.040 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.026 -3.598 12.554 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.482 -1.322 13.081 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.561 -0.173 11.724 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.000 -0.880 12.201 1.00 0.00 H new ATOM 822 N ILE A 52 1.045 0.269 8.744 1.00 0.00 N ATOM 823 CA ILE A 52 1.750 1.249 7.961 1.00 0.00 C ATOM 824 C ILE A 52 1.817 2.553 8.729 1.00 0.00 C ATOM 825 O ILE A 52 0.812 3.114 9.112 1.00 0.00 O ATOM 826 CB ILE A 52 1.036 1.416 6.604 1.00 0.00 C ATOM 827 CG1 ILE A 52 1.674 0.549 5.537 1.00 0.00 C ATOM 828 CG2 ILE A 52 0.997 2.857 6.162 1.00 0.00 C ATOM 829 CD1 ILE A 52 1.004 0.701 4.199 1.00 0.00 C ATOM 0 H ILE A 52 0.108 0.549 9.034 1.00 0.00 H new ATOM 0 HA ILE A 52 2.773 0.925 7.768 1.00 0.00 H new ATOM 0 HB ILE A 52 0.007 1.086 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.728 0.809 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.629 -0.495 5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.486 2.929 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.463 3.451 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.015 3.234 6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.498 0.059 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.044 0.415 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.072 1.739 3.874 1.00 0.00 H new ATOM 841 N THR A 53 3.012 3.010 8.979 1.00 0.00 N ATOM 842 CA THR A 53 3.216 4.256 9.655 1.00 0.00 C ATOM 843 C THR A 53 3.564 5.314 8.624 1.00 0.00 C ATOM 844 O THR A 53 4.450 5.104 7.802 1.00 0.00 O ATOM 845 CB THR A 53 4.370 4.094 10.651 1.00 0.00 C ATOM 846 OG1 THR A 53 4.163 2.914 11.443 1.00 0.00 O ATOM 847 CG2 THR A 53 4.476 5.293 11.541 1.00 0.00 C ATOM 0 H THR A 53 3.872 2.527 8.719 1.00 0.00 H new ATOM 0 HA THR A 53 2.316 4.555 10.193 1.00 0.00 H new ATOM 0 HB THR A 53 5.301 3.998 10.092 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.903 2.812 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.301 5.156 12.239 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.657 6.181 10.935 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.547 5.417 12.097 1.00 0.00 H new ATOM 855 N TYR A 54 2.871 6.435 8.652 1.00 0.00 N ATOM 856 CA TYR A 54 3.141 7.505 7.719 1.00 0.00 C ATOM 857 C TYR A 54 3.592 8.732 8.484 1.00 0.00 C ATOM 858 O TYR A 54 2.793 9.383 9.159 1.00 0.00 O ATOM 859 CB TYR A 54 1.894 7.812 6.883 1.00 0.00 C ATOM 860 CG TYR A 54 2.044 9.022 5.992 1.00 0.00 C ATOM 861 CD1 TYR A 54 2.543 8.908 4.701 1.00 0.00 C ATOM 862 CD2 TYR A 54 1.688 10.280 6.451 1.00 0.00 C ATOM 863 CE1 TYR A 54 2.683 10.019 3.893 1.00 0.00 C ATOM 864 CE2 TYR A 54 1.825 11.396 5.652 1.00 0.00 C ATOM 865 CZ TYR A 54 2.325 11.262 4.373 1.00 0.00 C ATOM 866 OH TYR A 54 2.461 12.372 3.571 1.00 0.00 O ATOM 0 H TYR A 54 2.117 6.626 9.312 1.00 0.00 H new ATOM 0 HA TYR A 54 3.934 7.200 7.036 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.658 6.945 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.048 7.967 7.552 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.826 7.936 4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.296 10.389 7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.071 9.915 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.542 12.369 6.025 1.00 0.00 H new ATOM 0 HH TYR A 54 2.163 13.167 4.060 1.00 0.00 H new ATOM 876 N GLY A 55 4.877 9.030 8.377 1.00 0.00 N ATOM 877 CA GLY A 55 5.450 10.154 9.082 1.00 0.00 C ATOM 878 C GLY A 55 5.410 9.975 10.590 1.00 0.00 C ATOM 879 O GLY A 55 6.413 9.608 11.206 1.00 0.00 O ATOM 0 H GLY A 55 5.540 8.505 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.483 10.291 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.910 11.062 8.812 1.00 0.00 H new ATOM 883 N SER A 56 4.257 10.238 11.179 1.00 0.00 N ATOM 884 CA SER A 56 4.082 10.108 12.616 1.00 0.00 C ATOM 885 C SER A 56 2.969 9.112 12.960 1.00 0.00 C ATOM 886 O SER A 56 3.066 8.379 13.945 1.00 0.00 O ATOM 887 CB SER A 56 3.755 11.477 13.216 1.00 0.00 C ATOM 888 OG SER A 56 3.768 11.444 14.633 1.00 0.00 O ATOM 0 H SER A 56 3.422 10.545 10.681 1.00 0.00 H new ATOM 0 HA SER A 56 5.012 9.728 13.038 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.478 12.212 12.862 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.774 11.802 12.868 1.00 0.00 H new ATOM 0 HG SER A 56 3.557 12.335 14.983 1.00 0.00 H new ATOM 894 N LYS A 57 1.923 9.079 12.144 1.00 0.00 N ATOM 895 CA LYS A 57 0.731 8.337 12.454 1.00 0.00 C ATOM 896 C LYS A 57 0.699 6.977 11.751 1.00 0.00 C ATOM 897 O LYS A 57 1.092 6.847 10.592 1.00 0.00 O ATOM 898 CB LYS A 57 -0.458 9.205 12.103 1.00 0.00 C ATOM 899 CG LYS A 57 -0.743 9.301 10.640 1.00 0.00 C ATOM 900 CD LYS A 57 -1.760 8.273 10.285 1.00 0.00 C ATOM 901 CE LYS A 57 -3.086 8.588 10.940 1.00 0.00 C ATOM 902 NZ LYS A 57 -4.071 9.177 9.994 1.00 0.00 N ATOM 0 H LYS A 57 1.888 9.570 11.251 1.00 0.00 H new ATOM 0 HA LYS A 57 0.705 8.101 13.518 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.341 8.812 12.607 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.288 10.208 12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.109 10.297 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.170 9.144 10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.883 8.234 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.416 7.289 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.501 7.675 11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.923 9.281 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.465 10.049 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.599 9.397 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.839 8.497 9.825 1.00 0.00 H new ATOM 916 N VAL A 58 0.260 5.961 12.482 1.00 0.00 N ATOM 917 CA VAL A 58 0.206 4.598 11.983 1.00 0.00 C ATOM 918 C VAL A 58 -1.196 4.244 11.541 1.00 0.00 C ATOM 919 O VAL A 58 -2.167 4.388 12.285 1.00 0.00 O ATOM 920 CB VAL A 58 0.670 3.599 13.060 1.00 0.00 C ATOM 921 CG1 VAL A 58 0.805 2.201 12.482 1.00 0.00 C ATOM 922 CG2 VAL A 58 1.989 4.044 13.660 1.00 0.00 C ATOM 0 H VAL A 58 -0.070 6.062 13.442 1.00 0.00 H new ATOM 0 HA VAL A 58 0.878 4.534 11.127 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.085 3.574 13.845 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.134 1.515 13.262 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.159 1.873 12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.537 2.210 11.675 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.303 3.328 14.419 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.745 4.098 12.877 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.868 5.027 14.116 1.00 0.00 H new ATOM 932 N ILE A 59 -1.275 3.782 10.318 1.00 0.00 N ATOM 933 CA ILE A 59 -2.494 3.402 9.695 1.00 0.00 C ATOM 934 C ILE A 59 -2.426 1.914 9.331 1.00 0.00 C ATOM 935 O ILE A 59 -1.570 1.465 8.566 1.00 0.00 O ATOM 936 CB ILE A 59 -2.725 4.335 8.491 1.00 0.00 C ATOM 937 CG1 ILE A 59 -3.794 5.370 8.823 1.00 0.00 C ATOM 938 CG2 ILE A 59 -3.055 3.563 7.249 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.871 6.490 7.818 1.00 0.00 C ATOM 0 H ILE A 59 -0.459 3.661 9.719 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.353 3.513 10.357 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.796 4.867 8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.764 4.875 8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.591 5.789 9.809 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.211 4.255 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.232 2.890 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.963 2.982 7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.651 7.191 8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.913 7.009 7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.104 6.081 6.835 1.00 0.00 H new ATOM 951 N HIS A 60 -3.283 1.147 9.978 1.00 0.00 N ATOM 952 CA HIS A 60 -3.320 -0.311 9.807 1.00 0.00 C ATOM 953 C HIS A 60 -4.210 -0.737 8.638 1.00 0.00 C ATOM 954 O HIS A 60 -5.217 -0.100 8.351 1.00 0.00 O ATOM 955 CB HIS A 60 -3.784 -1.008 11.099 1.00 0.00 C ATOM 956 CG HIS A 60 -5.106 -0.533 11.648 1.00 0.00 C ATOM 957 ND1 HIS A 60 -6.198 -0.227 10.860 1.00 0.00 N ATOM 958 CD2 HIS A 60 -5.505 -0.318 12.925 1.00 0.00 C ATOM 959 CE1 HIS A 60 -7.202 0.151 11.627 1.00 0.00 C ATOM 960 NE2 HIS A 60 -6.808 0.106 12.883 1.00 0.00 N ATOM 0 H HIS A 60 -3.974 1.506 10.637 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.300 -0.622 9.579 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.851 -2.079 10.910 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.020 -0.866 11.863 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -6.224 -0.284 9.842 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.906 -0.455 13.813 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.182 0.447 11.283 1.00 0.00 H new ATOM 969 N ASN A 61 -3.823 -1.821 7.970 1.00 0.00 N ATOM 970 CA ASN A 61 -4.585 -2.373 6.851 1.00 0.00 C ATOM 971 C ASN A 61 -4.837 -3.859 7.091 1.00 0.00 C ATOM 972 O ASN A 61 -3.913 -4.662 7.001 1.00 0.00 O ATOM 973 CB ASN A 61 -3.820 -2.232 5.519 1.00 0.00 C ATOM 974 CG ASN A 61 -3.661 -0.807 5.004 1.00 0.00 C ATOM 975 OD1 ASN A 61 -3.538 0.158 5.898 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -3.633 -0.583 3.794 1.00 0.00 N flip ATOM 0 H ASN A 61 -2.973 -2.342 8.188 1.00 0.00 H new ATOM 0 HA ASN A 61 -5.521 -1.818 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.829 -2.669 5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.336 -2.819 4.759 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.731 -1.352 3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.512 0.371 3.455 1.00 0.00 H new ATOM 983 N GLU A 62 -6.066 -4.231 7.422 1.00 0.00 N ATOM 984 CA GLU A 62 -6.399 -5.640 7.579 1.00 0.00 C ATOM 985 C GLU A 62 -7.266 -6.117 6.430 1.00 0.00 C ATOM 986 O GLU A 62 -8.315 -5.534 6.143 1.00 0.00 O ATOM 987 CB GLU A 62 -7.102 -5.904 8.909 1.00 0.00 C ATOM 988 CG GLU A 62 -6.167 -5.874 10.100 1.00 0.00 C ATOM 989 CD GLU A 62 -6.825 -6.389 11.360 1.00 0.00 C ATOM 990 OE1 GLU A 62 -6.921 -7.622 11.520 1.00 0.00 O ATOM 991 OE2 GLU A 62 -7.267 -5.567 12.188 1.00 0.00 O ATOM 0 H GLU A 62 -6.840 -3.587 7.585 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.463 -6.199 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.885 -5.159 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.592 -6.877 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.285 -6.476 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.824 -4.853 10.264 1.00 0.00 H new ATOM 998 N PHE A 63 -6.831 -7.180 5.781 1.00 0.00 N ATOM 999 CA PHE A 63 -7.551 -7.715 4.640 1.00 0.00 C ATOM 1000 C PHE A 63 -7.359 -9.222 4.504 1.00 0.00 C ATOM 1001 O PHE A 63 -6.357 -9.782 4.949 1.00 0.00 O ATOM 1002 CB PHE A 63 -7.131 -6.997 3.351 1.00 0.00 C ATOM 1003 CG PHE A 63 -5.657 -7.011 3.082 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -4.849 -6.004 3.570 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -5.081 -8.025 2.332 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -3.495 -6.005 3.322 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -3.724 -8.031 2.078 1.00 0.00 C ATOM 1008 CZ PHE A 63 -2.929 -7.018 2.575 1.00 0.00 C ATOM 0 H PHE A 63 -5.982 -7.691 6.024 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.613 -7.536 4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.645 -7.460 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.468 -5.962 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.284 -5.206 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.701 -8.819 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.875 -5.212 3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.286 -8.826 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.867 -7.018 2.380 1.00 0.00 H new ATOM 1018 N THR A 64 -8.351 -9.869 3.917 1.00 0.00 N ATOM 1019 CA THR A 64 -8.310 -11.290 3.646 1.00 0.00 C ATOM 1020 C THR A 64 -8.475 -11.512 2.145 1.00 0.00 C ATOM 1021 O THR A 64 -9.314 -10.861 1.523 1.00 0.00 O ATOM 1022 CB THR A 64 -9.440 -12.019 4.397 1.00 0.00 C ATOM 1023 OG1 THR A 64 -9.501 -11.550 5.752 1.00 0.00 O ATOM 1024 CG2 THR A 64 -9.212 -13.522 4.395 1.00 0.00 C ATOM 0 H THR A 64 -9.213 -9.416 3.614 1.00 0.00 H new ATOM 0 HA THR A 64 -7.354 -11.689 3.985 1.00 0.00 H new ATOM 0 HB THR A 64 -10.380 -11.808 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.222 -12.014 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.023 -14.014 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.184 -13.884 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.265 -13.747 4.885 1.00 0.00 H new ATOM 1032 N LEU A 65 -7.633 -12.359 1.555 1.00 0.00 N ATOM 1033 CA LEU A 65 -7.768 -12.693 0.131 1.00 0.00 C ATOM 1034 C LEU A 65 -9.214 -13.017 -0.260 1.00 0.00 C ATOM 1035 O LEU A 65 -9.967 -13.629 0.505 1.00 0.00 O ATOM 1036 CB LEU A 65 -6.821 -13.839 -0.290 1.00 0.00 C ATOM 1037 CG LEU A 65 -6.944 -15.195 0.419 1.00 0.00 C ATOM 1038 CD1 LEU A 65 -8.211 -15.901 0.012 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -5.741 -16.063 0.085 1.00 0.00 C ATOM 0 H LEU A 65 -6.859 -12.823 2.030 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.473 -11.797 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.963 -14.010 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.798 -13.488 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.978 -15.019 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.275 -16.859 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.071 -15.287 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.204 -16.068 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.834 -17.024 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.696 -16.223 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.830 -15.565 0.416 1.00 0.00 H new ATOM 1051 N GLY A 66 -9.587 -12.571 -1.454 1.00 0.00 N ATOM 1052 CA GLY A 66 -10.902 -12.848 -1.996 1.00 0.00 C ATOM 1053 C GLY A 66 -12.015 -12.185 -1.211 1.00 0.00 C ATOM 1054 O GLY A 66 -13.167 -12.612 -1.288 1.00 0.00 O ATOM 0 H GLY A 66 -8.990 -12.013 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.942 -12.508 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.065 -13.926 -2.008 1.00 0.00 H new ATOM 1058 N GLU A 67 -11.680 -11.134 -0.472 1.00 0.00 N ATOM 1059 CA GLU A 67 -12.638 -10.487 0.416 1.00 0.00 C ATOM 1060 C GLU A 67 -12.610 -8.978 0.233 1.00 0.00 C ATOM 1061 O GLU A 67 -11.537 -8.396 0.048 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.325 -10.819 1.866 1.00 0.00 C ATOM 1063 CG GLU A 67 -12.571 -12.268 2.224 1.00 0.00 C ATOM 1064 CD GLU A 67 -14.019 -12.678 2.068 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -14.890 -12.052 2.708 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -14.292 -13.648 1.336 1.00 0.00 O ATOM 0 H GLU A 67 -10.752 -10.712 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.631 -10.859 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.282 -10.576 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.931 -10.186 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.949 -12.903 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.259 -12.440 3.254 1.00 0.00 H new ATOM 1073 N GLU A 68 -13.774 -8.342 0.274 1.00 0.00 N ATOM 1074 CA GLU A 68 -13.820 -6.892 0.299 1.00 0.00 C ATOM 1075 C GLU A 68 -13.545 -6.407 1.705 1.00 0.00 C ATOM 1076 O GLU A 68 -14.287 -6.689 2.648 1.00 0.00 O ATOM 1077 CB GLU A 68 -15.148 -6.355 -0.234 1.00 0.00 C ATOM 1078 CG GLU A 68 -15.503 -4.957 0.250 1.00 0.00 C ATOM 1079 CD GLU A 68 -16.844 -4.491 -0.273 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -16.937 -4.160 -1.474 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -17.808 -4.453 0.516 1.00 0.00 O ATOM 0 H GLU A 68 -14.684 -8.802 0.290 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.047 -6.506 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.113 -6.351 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.945 -7.040 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.517 -4.945 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.729 -4.258 -0.067 1.00 0.00 H new ATOM 1088 N CYS A 69 -12.468 -5.676 1.821 1.00 0.00 N ATOM 1089 CA CYS A 69 -11.975 -5.213 3.097 1.00 0.00 C ATOM 1090 C CYS A 69 -11.756 -3.722 3.014 1.00 0.00 C ATOM 1091 O CYS A 69 -11.634 -3.174 1.917 1.00 0.00 O ATOM 1092 CB CYS A 69 -10.668 -5.922 3.436 1.00 0.00 C ATOM 1093 SG CYS A 69 -10.725 -7.718 3.216 1.00 0.00 S ATOM 0 H CYS A 69 -11.901 -5.381 1.026 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.699 -5.435 3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.873 -5.515 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.405 -5.701 4.470 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.959 -7.995 1.968 1.00 0.00 H new ATOM 1099 N GLU A 70 -11.717 -3.056 4.151 1.00 0.00 N ATOM 1100 CA GLU A 70 -11.526 -1.628 4.129 1.00 0.00 C ATOM 1101 C GLU A 70 -10.077 -1.288 4.293 1.00 0.00 C ATOM 1102 O GLU A 70 -9.426 -1.597 5.293 1.00 0.00 O ATOM 1103 CB GLU A 70 -12.359 -0.921 5.162 1.00 0.00 C ATOM 1104 CG GLU A 70 -13.824 -1.080 4.904 1.00 0.00 C ATOM 1105 CD GLU A 70 -14.689 -0.147 5.721 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -14.837 -0.378 6.939 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -15.236 0.813 5.143 1.00 0.00 O ATOM 0 H GLU A 70 -11.813 -3.472 5.078 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.864 -1.275 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.120 -1.313 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.105 0.139 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.018 -0.908 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.112 -2.109 5.118 1.00 0.00 H new ATOM 1114 N LEU A 71 -9.618 -0.643 3.273 1.00 0.00 N ATOM 1115 CA LEU A 71 -8.240 -0.288 3.107 1.00 0.00 C ATOM 1116 C LEU A 71 -8.014 1.113 3.615 1.00 0.00 C ATOM 1117 O LEU A 71 -8.640 2.056 3.140 1.00 0.00 O ATOM 1118 CB LEU A 71 -7.897 -0.367 1.624 1.00 0.00 C ATOM 1119 CG LEU A 71 -8.334 -1.654 0.933 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -8.013 -1.611 -0.548 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.638 -2.811 1.588 1.00 0.00 C ATOM 0 H LEU A 71 -10.210 -0.335 2.502 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.604 -0.971 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.359 0.478 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.819 -0.258 1.509 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.414 -1.768 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.335 -2.541 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.535 -0.772 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.938 -1.489 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.941 -3.739 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.559 -2.688 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.908 -2.848 2.644 1.00 0.00 H new ATOM 1133 N GLU A 72 -7.129 1.252 4.574 1.00 0.00 N ATOM 1134 CA GLU A 72 -6.808 2.556 5.092 1.00 0.00 C ATOM 1135 C GLU A 72 -5.593 3.068 4.360 1.00 0.00 C ATOM 1136 O GLU A 72 -4.552 2.416 4.326 1.00 0.00 O ATOM 1137 CB GLU A 72 -6.559 2.504 6.593 1.00 0.00 C ATOM 1138 CG GLU A 72 -6.853 3.814 7.299 1.00 0.00 C ATOM 1139 CD GLU A 72 -6.855 3.678 8.806 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -6.939 2.537 9.310 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -6.804 4.712 9.502 1.00 0.00 O ATOM 0 H GLU A 72 -6.622 0.481 5.008 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.648 3.232 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.176 1.719 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.520 2.229 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.109 4.555 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.822 4.189 6.971 1.00 0.00 H new ATOM 1148 N THR A 73 -5.734 4.229 3.772 1.00 0.00 N ATOM 1149 CA THR A 73 -4.705 4.743 2.909 1.00 0.00 C ATOM 1150 C THR A 73 -3.671 5.484 3.726 1.00 0.00 C ATOM 1151 O THR A 73 -3.926 5.817 4.879 1.00 0.00 O ATOM 1152 CB THR A 73 -5.297 5.677 1.841 1.00 0.00 C ATOM 1153 OG1 THR A 73 -6.188 6.620 2.455 1.00 0.00 O ATOM 1154 CG2 THR A 73 -6.040 4.874 0.786 1.00 0.00 C ATOM 0 H THR A 73 -6.549 4.833 3.875 1.00 0.00 H new ATOM 0 HA THR A 73 -4.232 3.902 2.402 1.00 0.00 H new ATOM 0 HB THR A 73 -4.481 6.216 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.042 6.182 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.453 5.551 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.351 4.179 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.850 4.316 1.257 1.00 0.00 H new ATOM 1162 N MET A 74 -2.511 5.750 3.141 1.00 0.00 N ATOM 1163 CA MET A 74 -1.477 6.499 3.840 1.00 0.00 C ATOM 1164 C MET A 74 -1.991 7.898 4.165 1.00 0.00 C ATOM 1165 O MET A 74 -1.464 8.585 5.036 1.00 0.00 O ATOM 1166 CB MET A 74 -0.185 6.591 3.009 1.00 0.00 C ATOM 1167 CG MET A 74 0.422 5.242 2.651 1.00 0.00 C ATOM 1168 SD MET A 74 -0.547 4.339 1.425 1.00 0.00 S ATOM 1169 CE MET A 74 0.451 2.869 1.224 1.00 0.00 C ATOM 0 H MET A 74 -2.264 5.462 2.194 1.00 0.00 H new ATOM 0 HA MET A 74 -1.239 5.970 4.763 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.395 7.138 2.090 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.551 7.172 3.565 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.432 5.393 2.269 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.510 4.638 3.554 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.477 2.588 0.171 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.465 3.067 1.572 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.020 2.054 1.806 1.00 0.00 H new ATOM 1179 N THR A 75 -3.033 8.303 3.446 1.00 0.00 N ATOM 1180 CA THR A 75 -3.701 9.564 3.694 1.00 0.00 C ATOM 1181 C THR A 75 -4.545 9.482 4.967 1.00 0.00 C ATOM 1182 O THR A 75 -4.470 10.358 5.825 1.00 0.00 O ATOM 1183 CB THR A 75 -4.601 9.939 2.512 1.00 0.00 C ATOM 1184 OG1 THR A 75 -3.924 9.675 1.278 1.00 0.00 O ATOM 1185 CG2 THR A 75 -4.996 11.397 2.572 1.00 0.00 C ATOM 0 H THR A 75 -3.433 7.764 2.678 1.00 0.00 H new ATOM 0 HA THR A 75 -2.936 10.331 3.819 1.00 0.00 H new ATOM 0 HB THR A 75 -5.505 9.333 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.555 9.762 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.634 11.636 1.722 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.538 11.589 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.101 12.018 2.540 1.00 0.00 H new ATOM 1193 N GLY A 76 -5.341 8.420 5.091 1.00 0.00 N ATOM 1194 CA GLY A 76 -6.147 8.241 6.284 1.00 0.00 C ATOM 1195 C GLY A 76 -7.517 7.645 6.020 1.00 0.00 C ATOM 1196 O GLY A 76 -8.056 6.924 6.862 1.00 0.00 O ATOM 0 H GLY A 76 -5.440 7.686 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.610 7.596 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.271 9.206 6.775 1.00 0.00 H new ATOM 1200 N GLU A 77 -8.080 7.930 4.859 1.00 0.00 N ATOM 1201 CA GLU A 77 -9.429 7.484 4.546 1.00 0.00 C ATOM 1202 C GLU A 77 -9.442 6.000 4.179 1.00 0.00 C ATOM 1203 O GLU A 77 -8.549 5.515 3.477 1.00 0.00 O ATOM 1204 CB GLU A 77 -10.014 8.333 3.425 1.00 0.00 C ATOM 1205 CG GLU A 77 -11.476 8.040 3.127 1.00 0.00 C ATOM 1206 CD GLU A 77 -12.151 9.168 2.375 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -12.071 9.196 1.130 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -12.760 10.041 3.032 1.00 0.00 O ATOM 0 H GLU A 77 -7.627 8.466 4.119 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.052 7.608 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.911 9.386 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.430 8.173 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.548 7.123 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.006 7.863 4.063 1.00 0.00 H new ATOM 1215 N LYS A 78 -10.450 5.288 4.673 1.00 0.00 N ATOM 1216 CA LYS A 78 -10.572 3.854 4.447 1.00 0.00 C ATOM 1217 C LYS A 78 -11.605 3.562 3.366 1.00 0.00 C ATOM 1218 O LYS A 78 -12.679 4.168 3.346 1.00 0.00 O ATOM 1219 CB LYS A 78 -10.943 3.106 5.740 1.00 0.00 C ATOM 1220 CG LYS A 78 -11.867 3.871 6.665 1.00 0.00 C ATOM 1221 CD LYS A 78 -11.097 4.865 7.518 1.00 0.00 C ATOM 1222 CE LYS A 78 -10.323 4.172 8.626 1.00 0.00 C ATOM 1223 NZ LYS A 78 -9.602 5.140 9.497 1.00 0.00 N ATOM 0 H LYS A 78 -11.200 5.687 5.238 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.598 3.496 4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.416 2.161 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.028 2.864 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.618 4.399 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.400 3.172 7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.407 5.427 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.790 5.585 7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.010 3.581 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.607 3.477 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.437 4.711 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.690 5.385 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.175 6.001 9.608 1.00 0.00 H new ATOM 1237 N VAL A 79 -11.284 2.639 2.466 1.00 0.00 N ATOM 1238 CA VAL A 79 -12.172 2.310 1.358 1.00 0.00 C ATOM 1239 C VAL A 79 -12.297 0.801 1.184 1.00 0.00 C ATOM 1240 O VAL A 79 -11.336 0.062 1.379 1.00 0.00 O ATOM 1241 CB VAL A 79 -11.716 2.986 0.034 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -10.344 3.637 0.178 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -11.716 2.008 -1.126 1.00 0.00 C ATOM 0 H VAL A 79 -10.415 2.105 2.482 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.157 2.706 1.605 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.443 3.769 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.059 4.099 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.383 4.399 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.608 2.879 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.392 2.519 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.034 1.186 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.723 1.616 -1.271 1.00 0.00 H new ATOM 1253 N LYS A 80 -13.490 0.355 0.832 1.00 0.00 N ATOM 1254 CA LYS A 80 -13.748 -1.057 0.614 1.00 0.00 C ATOM 1255 C LYS A 80 -13.311 -1.497 -0.768 1.00 0.00 C ATOM 1256 O LYS A 80 -13.761 -0.956 -1.778 1.00 0.00 O ATOM 1257 CB LYS A 80 -15.230 -1.348 0.789 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.702 -1.113 2.196 1.00 0.00 C ATOM 1259 CD LYS A 80 -17.132 -1.537 2.403 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.609 -1.055 3.747 1.00 0.00 C ATOM 1261 NZ LYS A 80 -17.862 0.411 3.765 1.00 0.00 N ATOM 0 H LYS A 80 -14.302 0.956 0.690 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.170 -1.615 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.803 -0.719 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.429 -2.383 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.061 -1.660 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.602 -0.055 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.762 -1.127 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.213 -2.622 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.524 -1.583 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.865 -1.302 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.741 0.605 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.069 0.895 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.954 0.759 2.789 1.00 0.00 H new ATOM 1275 N ALA A 81 -12.445 -2.490 -0.795 1.00 0.00 N ATOM 1276 CA ALA A 81 -11.986 -3.079 -2.037 1.00 0.00 C ATOM 1277 C ALA A 81 -11.747 -4.569 -1.845 1.00 0.00 C ATOM 1278 O ALA A 81 -11.391 -5.013 -0.752 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.721 -2.388 -2.520 1.00 0.00 C ATOM 0 H ALA A 81 -12.040 -2.911 0.041 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.755 -2.944 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.391 -2.844 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.925 -1.330 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.939 -2.494 -1.768 1.00 0.00 H new ATOM 1285 N VAL A 82 -11.957 -5.340 -2.899 1.00 0.00 N ATOM 1286 CA VAL A 82 -11.714 -6.770 -2.844 1.00 0.00 C ATOM 1287 C VAL A 82 -10.297 -7.074 -3.288 1.00 0.00 C ATOM 1288 O VAL A 82 -9.931 -6.844 -4.443 1.00 0.00 O ATOM 1289 CB VAL A 82 -12.701 -7.554 -3.725 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -12.220 -8.985 -3.921 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -14.076 -7.550 -3.099 1.00 0.00 C ATOM 0 H VAL A 82 -12.294 -5.000 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.858 -7.084 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.755 -7.069 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.930 -9.525 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.243 -8.977 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.142 -9.478 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.766 -8.108 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -14.029 -8.016 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.427 -6.523 -2.998 1.00 0.00 H new ATOM 1301 N VAL A 83 -9.501 -7.568 -2.359 1.00 0.00 N ATOM 1302 CA VAL A 83 -8.136 -7.951 -2.656 1.00 0.00 C ATOM 1303 C VAL A 83 -8.033 -9.473 -2.678 1.00 0.00 C ATOM 1304 O VAL A 83 -8.601 -10.150 -1.826 1.00 0.00 O ATOM 1305 CB VAL A 83 -7.114 -7.360 -1.628 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -7.822 -6.563 -0.542 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -6.242 -8.443 -1.007 1.00 0.00 C ATOM 0 H VAL A 83 -9.779 -7.714 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.880 -7.541 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.462 -6.685 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.085 -6.166 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.373 -5.739 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.515 -7.212 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.547 -7.990 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.872 -9.163 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.681 -8.952 -1.791 1.00 0.00 H new ATOM 1317 N LYS A 84 -7.360 -10.000 -3.677 1.00 0.00 N ATOM 1318 CA LYS A 84 -7.052 -11.417 -3.736 1.00 0.00 C ATOM 1319 C LYS A 84 -5.592 -11.610 -3.405 1.00 0.00 C ATOM 1320 O LYS A 84 -4.787 -10.694 -3.577 1.00 0.00 O ATOM 1321 CB LYS A 84 -7.294 -11.989 -5.103 1.00 0.00 C ATOM 1322 CG LYS A 84 -8.485 -11.384 -5.846 1.00 0.00 C ATOM 1323 CD LYS A 84 -9.757 -12.167 -5.603 1.00 0.00 C ATOM 1324 CE LYS A 84 -10.906 -11.539 -6.360 1.00 0.00 C ATOM 1325 NZ LYS A 84 -12.206 -12.200 -6.067 1.00 0.00 N ATOM 0 H LYS A 84 -7.011 -9.463 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.701 -11.928 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.397 -11.847 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.449 -13.064 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.627 -10.352 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.272 -11.359 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.623 -13.201 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.982 -12.188 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.973 -10.482 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.706 -11.594 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.962 -11.735 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.154 -13.203 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.412 -12.125 -5.050 1.00 0.00 H new ATOM 1339 N MET A 85 -5.247 -12.779 -2.932 1.00 0.00 N ATOM 1340 CA MET A 85 -3.879 -13.026 -2.536 1.00 0.00 C ATOM 1341 C MET A 85 -3.326 -14.291 -3.158 1.00 0.00 C ATOM 1342 O MET A 85 -3.989 -15.327 -3.235 1.00 0.00 O ATOM 1343 CB MET A 85 -3.742 -13.035 -1.003 1.00 0.00 C ATOM 1344 CG MET A 85 -2.360 -13.409 -0.482 1.00 0.00 C ATOM 1345 SD MET A 85 -2.167 -15.180 -0.201 1.00 0.00 S ATOM 1346 CE MET A 85 -0.507 -15.240 0.462 1.00 0.00 C ATOM 0 H MET A 85 -5.882 -13.568 -2.811 1.00 0.00 H new ATOM 0 HA MET A 85 -3.275 -12.203 -2.918 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.001 -12.046 -0.624 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.470 -13.735 -0.592 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.607 -13.076 -1.196 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.173 -12.876 0.451 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.458 -15.989 1.252 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.192 -15.503 -0.332 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.243 -14.264 0.870 1.00 0.00 H new ATOM 1356 N GLU A 86 -2.105 -14.157 -3.624 1.00 0.00 N ATOM 1357 CA GLU A 86 -1.355 -15.229 -4.224 1.00 0.00 C ATOM 1358 C GLU A 86 -0.209 -15.624 -3.295 1.00 0.00 C ATOM 1359 O GLU A 86 0.326 -14.779 -2.574 1.00 0.00 O ATOM 1360 CB GLU A 86 -0.837 -14.732 -5.551 1.00 0.00 C ATOM 1361 CG GLU A 86 -0.186 -15.791 -6.409 1.00 0.00 C ATOM 1362 CD GLU A 86 -1.074 -16.985 -6.654 1.00 0.00 C ATOM 1363 OE1 GLU A 86 -1.055 -17.921 -5.829 1.00 0.00 O ATOM 1364 OE2 GLU A 86 -1.774 -16.998 -7.687 1.00 0.00 O ATOM 0 H GLU A 86 -1.595 -13.274 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.975 -16.112 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.664 -14.291 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.115 -13.936 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.094 -15.352 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.735 -16.123 -5.929 1.00 0.00 H new ATOM 1371 N GLY A 87 0.156 -16.906 -3.325 1.00 0.00 N ATOM 1372 CA GLY A 87 1.053 -17.481 -2.324 1.00 0.00 C ATOM 1373 C GLY A 87 2.419 -16.808 -2.218 1.00 0.00 C ATOM 1374 O GLY A 87 3.038 -16.858 -1.158 1.00 0.00 O ATOM 0 H GLY A 87 -0.158 -17.568 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.565 -17.433 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.202 -18.536 -2.555 1.00 0.00 H new ATOM 1378 N ASP A 88 2.891 -16.168 -3.297 1.00 0.00 N ATOM 1379 CA ASP A 88 4.149 -15.385 -3.261 1.00 0.00 C ATOM 1380 C ASP A 88 3.887 -14.024 -2.651 1.00 0.00 C ATOM 1381 O ASP A 88 4.523 -13.029 -2.981 1.00 0.00 O ATOM 1382 CB ASP A 88 4.736 -15.219 -4.665 1.00 0.00 C ATOM 1383 CG ASP A 88 4.911 -16.535 -5.391 1.00 0.00 C ATOM 1384 OD1 ASP A 88 3.918 -17.040 -5.954 1.00 0.00 O ATOM 1385 OD2 ASP A 88 6.037 -17.074 -5.399 1.00 0.00 O ATOM 0 H ASP A 88 2.428 -16.173 -4.206 1.00 0.00 H new ATOM 0 HA ASP A 88 4.872 -15.927 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.085 -14.571 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.702 -14.719 -4.592 1.00 0.00 H new ATOM 1390 N ASN A 89 2.894 -14.026 -1.787 1.00 0.00 N ATOM 1391 CA ASN A 89 2.518 -12.902 -0.946 1.00 0.00 C ATOM 1392 C ASN A 89 2.115 -11.742 -1.814 1.00 0.00 C ATOM 1393 O ASN A 89 2.541 -10.606 -1.617 1.00 0.00 O ATOM 1394 CB ASN A 89 3.630 -12.454 -0.008 1.00 0.00 C ATOM 1395 CG ASN A 89 4.669 -13.507 0.341 1.00 0.00 C ATOM 1396 OD1 ASN A 89 5.817 -13.169 0.574 1.00 0.00 O ATOM 1397 ND2 ASN A 89 4.291 -14.778 0.382 1.00 0.00 N ATOM 0 H ASN A 89 2.300 -14.843 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 89 1.688 -13.238 -0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.140 -11.604 -0.461 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.177 -12.098 0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.969 -15.504 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.323 -15.029 0.182 1.00 0.00 H new ATOM 1404 N LYS A 90 1.291 -12.045 -2.777 1.00 0.00 N ATOM 1405 CA LYS A 90 0.896 -11.083 -3.749 1.00 0.00 C ATOM 1406 C LYS A 90 -0.532 -10.695 -3.485 1.00 0.00 C ATOM 1407 O LYS A 90 -1.422 -11.538 -3.439 1.00 0.00 O ATOM 1408 CB LYS A 90 1.078 -11.680 -5.138 1.00 0.00 C ATOM 1409 CG LYS A 90 2.040 -12.851 -5.119 1.00 0.00 C ATOM 1410 CD LYS A 90 2.221 -13.502 -6.465 1.00 0.00 C ATOM 1411 CE LYS A 90 2.907 -12.575 -7.448 1.00 0.00 C ATOM 1412 NZ LYS A 90 3.455 -13.304 -8.624 1.00 0.00 N ATOM 0 H LYS A 90 0.878 -12.969 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 90 1.510 -10.184 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.112 -12.008 -5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.450 -10.914 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.009 -12.509 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.679 -13.596 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.809 -14.413 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.249 -13.797 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.197 -11.821 -7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.715 -12.046 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.914 -12.629 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.152 -14.006 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.682 -13.788 -9.124 1.00 0.00 H new ATOM 1426 N MET A 91 -0.730 -9.417 -3.312 1.00 0.00 N ATOM 1427 CA MET A 91 -2.016 -8.883 -2.956 1.00 0.00 C ATOM 1428 C MET A 91 -2.499 -8.055 -4.109 1.00 0.00 C ATOM 1429 O MET A 91 -1.932 -7.010 -4.434 1.00 0.00 O ATOM 1430 CB MET A 91 -1.888 -8.003 -1.713 1.00 0.00 C ATOM 1431 CG MET A 91 -1.065 -8.640 -0.615 1.00 0.00 C ATOM 1432 SD MET A 91 -1.819 -10.127 0.060 1.00 0.00 S ATOM 1433 CE MET A 91 -0.484 -10.721 1.094 1.00 0.00 C ATOM 0 H MET A 91 0.001 -8.713 -3.415 1.00 0.00 H new ATOM 0 HA MET A 91 -2.716 -9.690 -2.739 1.00 0.00 H new ATOM 0 HB2 MET A 91 -1.434 -7.053 -1.994 1.00 0.00 H new ATOM 0 HB3 MET A 91 -2.884 -7.780 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.077 -8.886 -1.005 1.00 0.00 H new ATOM 0 HG3 MET A 91 -0.920 -7.917 0.188 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.638 -11.777 1.316 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.464 -10.594 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.465 -10.154 2.025 1.00 0.00 H new ATOM 1443 N VAL A 92 -3.540 -8.536 -4.728 1.00 0.00 N ATOM 1444 CA VAL A 92 -4.051 -7.919 -5.922 1.00 0.00 C ATOM 1445 C VAL A 92 -5.508 -7.559 -5.714 1.00 0.00 C ATOM 1446 O VAL A 92 -6.353 -8.431 -5.536 1.00 0.00 O ATOM 1447 CB VAL A 92 -3.921 -8.869 -7.133 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -3.950 -8.104 -8.426 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -2.677 -9.756 -7.026 1.00 0.00 C ATOM 0 H VAL A 92 -4.056 -9.361 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.469 -7.020 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.785 -9.533 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.857 -8.798 -9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.893 -7.563 -8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.122 -7.396 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.621 -10.410 -7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.786 -9.130 -6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.738 -10.361 -6.121 1.00 0.00 H new ATOM 1459 N THR A 93 -5.801 -6.281 -5.752 1.00 0.00 N ATOM 1460 CA THR A 93 -7.150 -5.815 -5.529 1.00 0.00 C ATOM 1461 C THR A 93 -7.554 -4.825 -6.593 1.00 0.00 C ATOM 1462 O THR A 93 -6.729 -4.071 -7.118 1.00 0.00 O ATOM 1463 CB THR A 93 -7.354 -5.207 -4.119 1.00 0.00 C ATOM 1464 OG1 THR A 93 -8.513 -4.368 -4.092 1.00 0.00 O ATOM 1465 CG2 THR A 93 -6.136 -4.423 -3.657 1.00 0.00 C ATOM 0 H THR A 93 -5.122 -5.543 -5.936 1.00 0.00 H new ATOM 0 HA THR A 93 -7.795 -6.692 -5.590 1.00 0.00 H new ATOM 0 HB THR A 93 -7.498 -6.039 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.302 -4.893 -4.341 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.322 -4.014 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.270 -5.084 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.942 -3.608 -4.354 1.00 0.00 H new ATOM 1473 N THR A 94 -8.816 -4.879 -6.941 1.00 0.00 N ATOM 1474 CA THR A 94 -9.357 -4.009 -7.965 1.00 0.00 C ATOM 1475 C THR A 94 -10.561 -3.240 -7.431 1.00 0.00 C ATOM 1476 O THR A 94 -11.511 -3.837 -6.925 1.00 0.00 O ATOM 1477 CB THR A 94 -9.762 -4.828 -9.204 1.00 0.00 C ATOM 1478 OG1 THR A 94 -8.696 -5.730 -9.546 1.00 0.00 O ATOM 1479 CG2 THR A 94 -10.057 -3.919 -10.380 1.00 0.00 C ATOM 0 H THR A 94 -9.495 -5.520 -6.529 1.00 0.00 H new ATOM 0 HA THR A 94 -8.585 -3.295 -8.252 1.00 0.00 H new ATOM 0 HB THR A 94 -10.666 -5.391 -8.971 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.068 -6.527 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.341 -4.521 -11.243 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.874 -3.245 -10.123 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.168 -3.336 -10.621 1.00 0.00 H new ATOM 1487 N PHE A 95 -10.506 -1.918 -7.530 1.00 0.00 N ATOM 1488 CA PHE A 95 -11.590 -1.075 -7.055 1.00 0.00 C ATOM 1489 C PHE A 95 -11.846 0.081 -8.019 1.00 0.00 C ATOM 1490 O PHE A 95 -11.016 0.973 -8.149 1.00 0.00 O ATOM 1491 CB PHE A 95 -11.235 -0.545 -5.662 1.00 0.00 C ATOM 1492 CG PHE A 95 -12.138 0.546 -5.158 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -13.406 0.259 -4.686 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -11.704 1.862 -5.149 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -14.226 1.264 -4.214 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -12.519 2.872 -4.681 1.00 0.00 C ATOM 1497 CZ PHE A 95 -13.782 2.573 -4.211 1.00 0.00 C ATOM 0 H PHE A 95 -9.721 -1.408 -7.935 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.505 -1.665 -7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.260 -1.374 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.211 -0.172 -5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -13.758 -0.762 -4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.715 2.100 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -15.214 1.028 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -12.170 3.894 -4.682 1.00 0.00 H new ATOM 0 HZ PHE A 95 -14.422 3.360 -3.842 1.00 0.00 H new ATOM 1507 N LYS A 96 -13.007 0.057 -8.675 1.00 0.00 N ATOM 1508 CA LYS A 96 -13.451 1.137 -9.569 1.00 0.00 C ATOM 1509 C LYS A 96 -12.331 1.668 -10.473 1.00 0.00 C ATOM 1510 O LYS A 96 -12.012 2.859 -10.443 1.00 0.00 O ATOM 1511 CB LYS A 96 -14.052 2.295 -8.767 1.00 0.00 C ATOM 1512 CG LYS A 96 -15.325 1.925 -8.023 1.00 0.00 C ATOM 1513 CD LYS A 96 -16.147 3.151 -7.631 1.00 0.00 C ATOM 1514 CE LYS A 96 -15.410 4.082 -6.674 1.00 0.00 C ATOM 1515 NZ LYS A 96 -14.513 5.039 -7.380 1.00 0.00 N ATOM 0 H LYS A 96 -13.671 -0.714 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.212 0.699 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.313 2.651 -8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.264 3.123 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.931 1.270 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.068 1.361 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.417 3.704 -8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.078 2.824 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.137 4.640 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.822 3.487 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.560 5.967 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.535 4.685 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.817 5.133 -8.370 1.00 0.00 H new ATOM 1529 N GLY A 97 -11.736 0.787 -11.264 1.00 0.00 N ATOM 1530 CA GLY A 97 -10.711 1.206 -12.195 1.00 0.00 C ATOM 1531 C GLY A 97 -9.337 1.319 -11.559 1.00 0.00 C ATOM 1532 O GLY A 97 -8.336 1.501 -12.256 1.00 0.00 O ATOM 0 H GLY A 97 -11.946 -0.211 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.665 0.495 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.988 2.170 -12.621 1.00 0.00 H new ATOM 1536 N ILE A 98 -9.289 1.217 -10.238 1.00 0.00 N ATOM 1537 CA ILE A 98 -8.040 1.290 -9.504 1.00 0.00 C ATOM 1538 C ILE A 98 -7.463 -0.102 -9.359 1.00 0.00 C ATOM 1539 O ILE A 98 -8.049 -0.960 -8.693 1.00 0.00 O ATOM 1540 CB ILE A 98 -8.220 1.906 -8.101 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -8.757 3.340 -8.195 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -6.908 1.871 -7.321 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -8.468 4.033 -9.509 1.00 0.00 C ATOM 0 H ILE A 98 -10.112 1.082 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.366 1.935 -10.068 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.953 1.306 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.835 3.322 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.327 3.930 -7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.059 2.310 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.577 0.838 -7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.149 2.439 -7.859 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -8.883 5.041 -9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.390 4.088 -9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.922 3.470 -10.325 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.336 -0.341 -9.999 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.717 -1.633 -9.934 1.00 0.00 C ATOM 1557 C LYS A 99 -4.517 -1.602 -9.013 1.00 0.00 C ATOM 1558 O LYS A 99 -3.669 -0.715 -9.104 1.00 0.00 O ATOM 1559 CB LYS A 99 -5.319 -2.087 -11.299 1.00 0.00 C ATOM 1560 CG LYS A 99 -5.734 -3.513 -11.586 1.00 0.00 C ATOM 1561 CD LYS A 99 -5.406 -4.474 -10.453 1.00 0.00 C ATOM 1562 CE LYS A 99 -5.549 -5.921 -10.897 1.00 0.00 C ATOM 1563 NZ LYS A 99 -6.876 -6.197 -11.513 1.00 0.00 N ATOM 0 H LYS A 99 -5.838 0.345 -10.566 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.439 -2.343 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.767 -1.427 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.238 -2.000 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.807 -3.540 -11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.239 -3.852 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.388 -4.297 -10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.068 -4.283 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.763 -6.158 -11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.406 -6.577 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.056 -7.221 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.618 -5.710 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.882 -5.853 -12.494 1.00 0.00 H new ATOM 1577 N SER A 100 -4.472 -2.558 -8.114 1.00 0.00 N ATOM 1578 CA SER A 100 -3.418 -2.619 -7.118 1.00 0.00 C ATOM 1579 C SER A 100 -2.717 -3.971 -7.151 1.00 0.00 C ATOM 1580 O SER A 100 -3.366 -5.012 -7.044 1.00 0.00 O ATOM 1581 CB SER A 100 -3.991 -2.352 -5.725 1.00 0.00 C ATOM 1582 OG SER A 100 -2.958 -2.204 -4.766 1.00 0.00 O ATOM 0 H SER A 100 -5.157 -3.311 -8.049 1.00 0.00 H new ATOM 0 HA SER A 100 -2.683 -1.849 -7.351 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.602 -1.450 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.646 -3.174 -5.434 1.00 0.00 H new ATOM 0 HG SER A 100 -3.346 -2.192 -3.866 1.00 0.00 H new ATOM 1588 N VAL A 101 -1.403 -3.953 -7.310 1.00 0.00 N ATOM 1589 CA VAL A 101 -0.610 -5.166 -7.219 1.00 0.00 C ATOM 1590 C VAL A 101 0.465 -5.003 -6.153 1.00 0.00 C ATOM 1591 O VAL A 101 1.314 -4.117 -6.239 1.00 0.00 O ATOM 1592 CB VAL A 101 0.058 -5.507 -8.566 1.00 0.00 C ATOM 1593 CG1 VAL A 101 1.009 -6.676 -8.408 1.00 0.00 C ATOM 1594 CG2 VAL A 101 -0.991 -5.810 -9.622 1.00 0.00 C ATOM 0 H VAL A 101 -0.863 -3.109 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.281 -5.982 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 101 0.632 -4.640 -8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.471 -6.902 -9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.783 -6.420 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.458 -7.548 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.499 -6.048 -10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.594 -6.660 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.633 -4.940 -9.757 1.00 0.00 H new ATOM 1604 N THR A 102 0.402 -5.841 -5.138 1.00 0.00 N ATOM 1605 CA THR A 102 1.406 -5.863 -4.093 1.00 0.00 C ATOM 1606 C THR A 102 2.089 -7.222 -4.063 1.00 0.00 C ATOM 1607 O THR A 102 1.419 -8.227 -3.928 1.00 0.00 O ATOM 1608 CB THR A 102 0.771 -5.567 -2.721 1.00 0.00 C ATOM 1609 OG1 THR A 102 -0.219 -4.542 -2.864 1.00 0.00 O ATOM 1610 CG2 THR A 102 1.829 -5.108 -1.728 1.00 0.00 C ATOM 0 H THR A 102 -0.345 -6.525 -5.014 1.00 0.00 H new ATOM 0 HA THR A 102 2.145 -5.090 -4.306 1.00 0.00 H new ATOM 0 HB THR A 102 0.310 -6.481 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.624 -4.354 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.360 -4.904 -0.765 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.579 -5.890 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.307 -4.201 -2.098 1.00 0.00 H new ATOM 1618 N GLU A 103 3.393 -7.277 -4.211 1.00 0.00 N ATOM 1619 CA GLU A 103 4.069 -8.569 -4.197 1.00 0.00 C ATOM 1620 C GLU A 103 5.234 -8.562 -3.228 1.00 0.00 C ATOM 1621 O GLU A 103 6.117 -7.705 -3.324 1.00 0.00 O ATOM 1622 CB GLU A 103 4.552 -8.913 -5.605 1.00 0.00 C ATOM 1623 CG GLU A 103 4.731 -10.375 -5.862 1.00 0.00 C ATOM 1624 CD GLU A 103 5.541 -10.651 -7.107 1.00 0.00 C ATOM 1625 OE1 GLU A 103 5.105 -10.236 -8.202 1.00 0.00 O ATOM 1626 OE2 GLU A 103 6.606 -11.292 -7.004 1.00 0.00 O ATOM 0 H GLU A 103 4.001 -6.468 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 103 3.361 -9.328 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.839 -8.515 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.501 -8.407 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.223 -10.833 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.753 -10.846 -5.958 1.00 0.00 H new ATOM 1633 N PHE A 104 5.237 -9.508 -2.295 1.00 0.00 N ATOM 1634 CA PHE A 104 6.329 -9.622 -1.356 1.00 0.00 C ATOM 1635 C PHE A 104 7.229 -10.757 -1.815 1.00 0.00 C ATOM 1636 O PHE A 104 6.804 -11.918 -1.862 1.00 0.00 O ATOM 1637 CB PHE A 104 5.821 -9.929 0.060 1.00 0.00 C ATOM 1638 CG PHE A 104 4.577 -9.204 0.498 1.00 0.00 C ATOM 1639 CD1 PHE A 104 4.231 -8.008 -0.051 1.00 0.00 C ATOM 1640 CD2 PHE A 104 3.772 -9.737 1.481 1.00 0.00 C ATOM 1641 CE1 PHE A 104 3.097 -7.332 0.358 1.00 0.00 C ATOM 1642 CE2 PHE A 104 2.632 -9.084 1.902 1.00 0.00 C ATOM 1643 CZ PHE A 104 2.294 -7.873 1.339 1.00 0.00 C ATOM 0 H PHE A 104 4.497 -10.200 -2.175 1.00 0.00 H new ATOM 0 HA PHE A 104 6.868 -8.675 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.634 -11.001 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.618 -9.697 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.855 -7.579 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.038 -10.683 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.841 -6.383 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.008 -9.520 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.406 -7.351 1.664 1.00 0.00 H new ATOM 1653 N ASN A 105 8.456 -10.429 -2.177 1.00 0.00 N ATOM 1654 CA ASN A 105 9.393 -11.435 -2.644 1.00 0.00 C ATOM 1655 C ASN A 105 10.706 -11.336 -1.881 1.00 0.00 C ATOM 1656 O ASN A 105 11.394 -10.317 -1.952 1.00 0.00 O ATOM 1657 CB ASN A 105 9.638 -11.280 -4.142 1.00 0.00 C ATOM 1658 CG ASN A 105 9.664 -12.615 -4.856 1.00 0.00 C ATOM 1659 OD1 ASN A 105 10.693 -13.286 -4.910 1.00 0.00 O ATOM 1660 ND2 ASN A 105 8.532 -13.005 -5.425 1.00 0.00 N ATOM 0 H ASN A 105 8.826 -9.479 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 105 8.960 -12.419 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.857 -10.654 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.585 -10.765 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.494 -13.890 -5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.699 -12.420 -5.358 1.00 0.00 H new ATOM 1667 N GLY A 106 11.052 -12.390 -1.155 1.00 0.00 N ATOM 1668 CA GLY A 106 12.274 -12.384 -0.379 1.00 0.00 C ATOM 1669 C GLY A 106 12.201 -11.427 0.789 1.00 0.00 C ATOM 1670 O GLY A 106 11.695 -11.771 1.855 1.00 0.00 O ATOM 0 H GLY A 106 10.507 -13.250 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.474 -13.390 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.110 -12.108 -1.022 1.00 0.00 H new ATOM 1674 N ASP A 107 12.700 -10.220 0.579 1.00 0.00 N ATOM 1675 CA ASP A 107 12.684 -9.189 1.604 1.00 0.00 C ATOM 1676 C ASP A 107 12.378 -7.828 0.986 1.00 0.00 C ATOM 1677 O ASP A 107 12.547 -6.793 1.626 1.00 0.00 O ATOM 1678 CB ASP A 107 14.025 -9.133 2.351 1.00 0.00 C ATOM 1679 CG ASP A 107 15.163 -8.606 1.494 1.00 0.00 C ATOM 1680 OD1 ASP A 107 15.652 -9.351 0.620 1.00 0.00 O ATOM 1681 OD2 ASP A 107 15.581 -7.449 1.699 1.00 0.00 O ATOM 0 H ASP A 107 13.125 -9.928 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 107 11.901 -9.440 2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 107 13.917 -8.499 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.278 -10.132 2.706 1.00 0.00 H new ATOM 1686 N THR A 108 11.926 -7.824 -0.262 1.00 0.00 N ATOM 1687 CA THR A 108 11.558 -6.575 -0.915 1.00 0.00 C ATOM 1688 C THR A 108 10.195 -6.667 -1.581 1.00 0.00 C ATOM 1689 O THR A 108 9.781 -7.725 -2.062 1.00 0.00 O ATOM 1690 CB THR A 108 12.626 -6.114 -1.930 1.00 0.00 C ATOM 1691 OG1 THR A 108 13.080 -7.228 -2.712 1.00 0.00 O ATOM 1692 CG2 THR A 108 13.810 -5.476 -1.220 1.00 0.00 C ATOM 0 H THR A 108 11.807 -8.659 -0.835 1.00 0.00 H new ATOM 0 HA THR A 108 11.500 -5.823 -0.129 1.00 0.00 H new ATOM 0 HB THR A 108 12.170 -5.372 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.756 -6.924 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.549 -5.160 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.470 -4.610 -0.652 1.00 0.00 H new ATOM 0 HG23 THR A 108 14.261 -6.200 -0.542 1.00 0.00 H new ATOM 1700 N ILE A 109 9.493 -5.545 -1.572 1.00 0.00 N ATOM 1701 CA ILE A 109 8.125 -5.481 -2.040 1.00 0.00 C ATOM 1702 C ILE A 109 7.935 -4.353 -3.041 1.00 0.00 C ATOM 1703 O ILE A 109 8.412 -3.234 -2.826 1.00 0.00 O ATOM 1704 CB ILE A 109 7.160 -5.228 -0.868 1.00 0.00 C ATOM 1705 CG1 ILE A 109 7.376 -6.250 0.242 1.00 0.00 C ATOM 1706 CG2 ILE A 109 5.724 -5.238 -1.351 1.00 0.00 C ATOM 1707 CD1 ILE A 109 6.359 -6.149 1.357 1.00 0.00 C ATOM 0 H ILE A 109 9.860 -4.654 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 109 7.910 -6.439 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 109 7.370 -4.241 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.338 -7.252 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.375 -6.118 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.056 -5.058 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.586 -4.456 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.496 -6.207 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.572 -6.905 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.412 -5.159 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.359 -6.311 0.953 1.00 0.00 H new ATOM 1719 N THR A 110 7.239 -4.640 -4.123 1.00 0.00 N ATOM 1720 CA THR A 110 6.804 -3.598 -5.027 1.00 0.00 C ATOM 1721 C THR A 110 5.281 -3.529 -5.045 1.00 0.00 C ATOM 1722 O THR A 110 4.608 -4.519 -5.345 1.00 0.00 O ATOM 1723 CB THR A 110 7.321 -3.823 -6.459 1.00 0.00 C ATOM 1724 OG1 THR A 110 8.735 -4.049 -6.429 1.00 0.00 O ATOM 1725 CG2 THR A 110 7.022 -2.611 -7.335 1.00 0.00 C ATOM 0 H THR A 110 6.964 -5.584 -4.396 1.00 0.00 H new ATOM 0 HA THR A 110 7.219 -2.658 -4.664 1.00 0.00 H new ATOM 0 HB THR A 110 6.815 -4.693 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.063 -4.194 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.395 -2.790 -8.343 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.945 -2.445 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.511 -1.731 -6.918 1.00 0.00 H new ATOM 1733 N ASN A 111 4.744 -2.378 -4.683 1.00 0.00 N ATOM 1734 CA ASN A 111 3.304 -2.146 -4.784 1.00 0.00 C ATOM 1735 C ASN A 111 3.008 -1.188 -5.919 1.00 0.00 C ATOM 1736 O ASN A 111 3.569 -0.097 -5.989 1.00 0.00 O ATOM 1737 CB ASN A 111 2.743 -1.616 -3.462 1.00 0.00 C ATOM 1738 CG ASN A 111 1.326 -1.075 -3.585 1.00 0.00 C ATOM 1739 OD1 ASN A 111 1.126 0.112 -3.814 1.00 0.00 O ATOM 1740 ND2 ASN A 111 0.335 -1.935 -3.429 1.00 0.00 N ATOM 0 H ASN A 111 5.276 -1.588 -4.317 1.00 0.00 H new ATOM 0 HA ASN A 111 2.814 -3.096 -4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.756 -2.417 -2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.395 -0.826 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.632 -1.617 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.537 -2.917 -3.239 1.00 0.00 H new ATOM 1747 N THR A 112 2.154 -1.624 -6.827 1.00 0.00 N ATOM 1748 CA THR A 112 1.783 -0.811 -7.965 1.00 0.00 C ATOM 1749 C THR A 112 0.280 -0.535 -7.968 1.00 0.00 C ATOM 1750 O THR A 112 -0.529 -1.461 -7.957 1.00 0.00 O ATOM 1751 CB THR A 112 2.177 -1.503 -9.282 1.00 0.00 C ATOM 1752 OG1 THR A 112 3.496 -2.060 -9.172 1.00 0.00 O ATOM 1753 CG2 THR A 112 2.130 -0.529 -10.430 1.00 0.00 C ATOM 0 H THR A 112 1.705 -2.539 -6.796 1.00 0.00 H new ATOM 0 HA THR A 112 2.319 0.135 -7.884 1.00 0.00 H new ATOM 0 HB THR A 112 1.463 -2.304 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.737 -2.499 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.412 -1.039 -11.351 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.120 -0.132 -10.529 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.824 0.290 -10.241 1.00 0.00 H new ATOM 1761 N MET A 113 -0.082 0.737 -7.962 1.00 0.00 N ATOM 1762 CA MET A 113 -1.467 1.148 -8.038 1.00 0.00 C ATOM 1763 C MET A 113 -1.670 2.045 -9.239 1.00 0.00 C ATOM 1764 O MET A 113 -0.753 2.721 -9.676 1.00 0.00 O ATOM 1765 CB MET A 113 -1.882 1.884 -6.770 1.00 0.00 C ATOM 1766 CG MET A 113 -2.919 1.134 -5.973 1.00 0.00 C ATOM 1767 SD MET A 113 -3.331 1.941 -4.416 1.00 0.00 S ATOM 1768 CE MET A 113 -4.562 0.816 -3.761 1.00 0.00 C ATOM 0 H MET A 113 0.579 1.511 -7.904 1.00 0.00 H new ATOM 0 HA MET A 113 -2.087 0.257 -8.140 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.003 2.051 -6.148 1.00 0.00 H new ATOM 0 HB3 MET A 113 -2.275 2.865 -7.037 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.824 1.029 -6.572 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.554 0.128 -5.769 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.913 1.183 -2.797 1.00 0.00 H new ATOM 0 HE2 MET A 113 -5.402 0.753 -4.453 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.121 -0.173 -3.634 1.00 0.00 H new ATOM 1778 N THR A 114 -2.856 2.029 -9.797 1.00 0.00 N ATOM 1779 CA THR A 114 -3.179 2.917 -10.877 1.00 0.00 C ATOM 1780 C THR A 114 -4.385 3.738 -10.460 1.00 0.00 C ATOM 1781 O THR A 114 -5.440 3.182 -10.159 1.00 0.00 O ATOM 1782 CB THR A 114 -3.487 2.137 -12.170 1.00 0.00 C ATOM 1783 OG1 THR A 114 -2.502 1.110 -12.356 1.00 0.00 O ATOM 1784 CG2 THR A 114 -3.476 3.065 -13.373 1.00 0.00 C ATOM 0 H THR A 114 -3.614 1.406 -9.517 1.00 0.00 H new ATOM 0 HA THR A 114 -2.327 3.564 -11.086 1.00 0.00 H new ATOM 0 HB THR A 114 -4.478 1.692 -12.079 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.699 0.613 -13.177 1.00 0.00 H new ATOM 0 HG21 THR A 114 -3.696 2.494 -14.275 1.00 0.00 H new ATOM 0 HG22 THR A 114 -4.231 3.840 -13.241 1.00 0.00 H new ATOM 0 HG23 THR A 114 -2.493 3.528 -13.467 1.00 0.00 H new ATOM 1792 N LEU A 115 -4.227 5.046 -10.421 1.00 0.00 N ATOM 1793 CA LEU A 115 -5.262 5.913 -9.896 1.00 0.00 C ATOM 1794 C LEU A 115 -5.621 6.951 -10.948 1.00 0.00 C ATOM 1795 O LEU A 115 -4.802 7.771 -11.332 1.00 0.00 O ATOM 1796 CB LEU A 115 -4.759 6.522 -8.567 1.00 0.00 C ATOM 1797 CG LEU A 115 -5.736 7.377 -7.769 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -5.889 8.724 -8.396 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -7.093 6.730 -7.690 1.00 0.00 C ATOM 0 H LEU A 115 -3.391 5.532 -10.747 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.179 5.368 -9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.427 5.704 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.882 7.131 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.327 7.477 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.590 9.320 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.921 9.225 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.267 8.612 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.766 7.365 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.492 6.597 -8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.005 5.759 -7.203 1.00 0.00 H new ATOM 1811 N GLY A 116 -6.849 6.894 -11.435 1.00 0.00 N ATOM 1812 CA GLY A 116 -7.226 7.725 -12.558 1.00 0.00 C ATOM 1813 C GLY A 116 -6.434 7.353 -13.797 1.00 0.00 C ATOM 1814 O GLY A 116 -6.657 6.296 -14.386 1.00 0.00 O ATOM 0 H GLY A 116 -7.589 6.291 -11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.292 7.614 -12.756 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.055 8.773 -12.313 1.00 0.00 H new ATOM 1818 N ASP A 117 -5.490 8.203 -14.175 1.00 0.00 N ATOM 1819 CA ASP A 117 -4.613 7.924 -15.310 1.00 0.00 C ATOM 1820 C ASP A 117 -3.177 7.780 -14.833 1.00 0.00 C ATOM 1821 O ASP A 117 -2.248 7.666 -15.636 1.00 0.00 O ATOM 1822 CB ASP A 117 -4.689 9.046 -16.351 1.00 0.00 C ATOM 1823 CG ASP A 117 -6.099 9.308 -16.836 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -6.549 8.623 -17.779 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -6.760 10.211 -16.282 1.00 0.00 O ATOM 0 H ASP A 117 -5.309 9.094 -13.713 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.944 6.994 -15.772 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.283 9.961 -15.921 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.060 8.787 -17.203 1.00 0.00 H new ATOM 1830 N ILE A 118 -3.002 7.789 -13.519 1.00 0.00 N ATOM 1831 CA ILE A 118 -1.681 7.805 -12.918 1.00 0.00 C ATOM 1832 C ILE A 118 -1.192 6.387 -12.611 1.00 0.00 C ATOM 1833 O ILE A 118 -1.970 5.534 -12.180 1.00 0.00 O ATOM 1834 CB ILE A 118 -1.679 8.664 -11.634 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -2.102 7.860 -10.411 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -2.617 9.841 -11.792 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -0.939 7.468 -9.555 1.00 0.00 C ATOM 0 H ILE A 118 -3.768 7.785 -12.845 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.994 8.249 -13.638 1.00 0.00 H new ATOM 0 HB ILE A 118 -0.657 9.012 -11.483 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.804 8.447 -9.819 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -2.630 6.963 -10.734 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.607 10.439 -10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -2.292 10.455 -12.632 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -3.628 9.478 -11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.295 6.897 -8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.249 6.857 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.425 8.364 -9.207 1.00 0.00 H new ATOM 1849 N VAL A 119 0.088 6.126 -12.858 1.00 0.00 N ATOM 1850 CA VAL A 119 0.656 4.822 -12.562 1.00 0.00 C ATOM 1851 C VAL A 119 1.603 4.900 -11.360 1.00 0.00 C ATOM 1852 O VAL A 119 2.653 5.518 -11.417 1.00 0.00 O ATOM 1853 CB VAL A 119 1.389 4.251 -13.789 1.00 0.00 C ATOM 1854 CG1 VAL A 119 2.413 5.238 -14.298 1.00 0.00 C ATOM 1855 CG2 VAL A 119 2.025 2.903 -13.473 1.00 0.00 C ATOM 0 H VAL A 119 0.744 6.796 -13.259 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.164 4.149 -12.310 1.00 0.00 H new ATOM 0 HB VAL A 119 0.656 4.086 -14.579 1.00 0.00 H new ATOM 0 HG11 VAL A 119 2.922 4.819 -15.166 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.915 6.165 -14.582 1.00 0.00 H new ATOM 0 HG13 VAL A 119 3.142 5.443 -13.514 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.535 2.525 -14.359 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.744 3.021 -12.663 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.251 2.197 -13.171 1.00 0.00 H new ATOM 1865 N TYR A 120 1.247 4.240 -10.284 1.00 0.00 N ATOM 1866 CA TYR A 120 1.984 4.369 -9.037 1.00 0.00 C ATOM 1867 C TYR A 120 2.707 3.095 -8.675 1.00 0.00 C ATOM 1868 O TYR A 120 2.108 2.040 -8.544 1.00 0.00 O ATOM 1869 CB TYR A 120 1.028 4.802 -7.922 1.00 0.00 C ATOM 1870 CG TYR A 120 1.471 4.482 -6.500 1.00 0.00 C ATOM 1871 CD1 TYR A 120 2.294 5.343 -5.781 1.00 0.00 C ATOM 1872 CD2 TYR A 120 1.036 3.323 -5.868 1.00 0.00 C ATOM 1873 CE1 TYR A 120 2.668 5.051 -4.481 1.00 0.00 C ATOM 1874 CE2 TYR A 120 1.412 3.027 -4.573 1.00 0.00 C ATOM 1875 CZ TYR A 120 2.225 3.894 -3.884 1.00 0.00 C ATOM 1876 OH TYR A 120 2.592 3.611 -2.588 1.00 0.00 O ATOM 0 H TYR A 120 0.450 3.605 -10.241 1.00 0.00 H new ATOM 0 HA TYR A 120 2.750 5.133 -9.167 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.875 5.878 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 120 0.061 4.329 -8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.646 6.253 -6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 120 0.391 2.640 -6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.307 5.731 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.068 2.117 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 120 1.894 3.073 -2.160 1.00 0.00 H new ATOM 1886 N LYS A 121 4.005 3.207 -8.544 1.00 0.00 N ATOM 1887 CA LYS A 121 4.820 2.123 -8.056 1.00 0.00 C ATOM 1888 C LYS A 121 5.554 2.567 -6.821 1.00 0.00 C ATOM 1889 O LYS A 121 6.025 3.690 -6.744 1.00 0.00 O ATOM 1890 CB LYS A 121 5.827 1.688 -9.103 1.00 0.00 C ATOM 1891 CG LYS A 121 5.452 0.410 -9.808 1.00 0.00 C ATOM 1892 CD LYS A 121 6.576 -0.110 -10.661 1.00 0.00 C ATOM 1893 CE LYS A 121 7.022 0.902 -11.708 1.00 0.00 C ATOM 1894 NZ LYS A 121 5.890 1.462 -12.493 1.00 0.00 N ATOM 0 H LYS A 121 4.527 4.053 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 121 4.169 1.280 -7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.936 2.482 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.799 1.559 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.177 -0.344 -9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.574 0.583 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.423 -0.368 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.258 -1.027 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.553 1.716 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.728 0.426 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.260 1.982 -13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.278 0.688 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.339 2.109 -11.894 1.00 0.00 H new ATOM 1908 N ARG A 122 5.642 1.705 -5.851 1.00 0.00 N ATOM 1909 CA ARG A 122 6.415 2.027 -4.674 1.00 0.00 C ATOM 1910 C ARG A 122 7.488 0.982 -4.432 1.00 0.00 C ATOM 1911 O ARG A 122 7.273 -0.214 -4.644 1.00 0.00 O ATOM 1912 CB ARG A 122 5.526 2.175 -3.435 1.00 0.00 C ATOM 1913 CG ARG A 122 5.102 0.867 -2.798 1.00 0.00 C ATOM 1914 CD ARG A 122 4.291 1.124 -1.544 1.00 0.00 C ATOM 1915 NE ARG A 122 4.069 -0.091 -0.758 1.00 0.00 N ATOM 1916 CZ ARG A 122 2.894 -0.418 -0.218 1.00 0.00 C ATOM 1917 NH1 ARG A 122 1.816 0.309 -0.485 1.00 0.00 N ATOM 1918 NH2 ARG A 122 2.790 -1.487 0.564 1.00 0.00 N ATOM 0 H ARG A 122 5.198 0.787 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 122 6.896 2.988 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 122 6.058 2.769 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.633 2.735 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.512 0.285 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.983 0.273 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.805 1.862 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.328 1.555 -1.820 1.00 0.00 H new ATOM 0 HE ARG A 122 4.857 -0.723 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.886 1.117 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.917 0.059 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.611 -2.062 0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.889 -1.733 0.975 1.00 0.00 H new ATOM 1932 N VAL A 123 8.638 1.446 -3.986 1.00 0.00 N ATOM 1933 CA VAL A 123 9.700 0.564 -3.570 1.00 0.00 C ATOM 1934 C VAL A 123 9.676 0.473 -2.057 1.00 0.00 C ATOM 1935 O VAL A 123 9.757 1.479 -1.355 1.00 0.00 O ATOM 1936 CB VAL A 123 11.087 1.029 -4.075 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.434 2.409 -3.592 1.00 0.00 C ATOM 1938 CG2 VAL A 123 12.141 0.030 -3.657 1.00 0.00 C ATOM 0 H VAL A 123 8.858 2.439 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 123 9.534 -0.419 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 123 11.049 1.080 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.416 2.691 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 123 10.688 3.118 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.450 2.420 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 123 13.117 0.360 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 123 12.159 -0.046 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 123 11.909 -0.945 -4.085 1.00 0.00 H new ATOM 1948 N SER A 124 9.459 -0.727 -1.569 1.00 0.00 N ATOM 1949 CA SER A 124 9.402 -0.973 -0.152 1.00 0.00 C ATOM 1950 C SER A 124 10.317 -2.140 0.195 1.00 0.00 C ATOM 1951 O SER A 124 10.303 -3.164 -0.489 1.00 0.00 O ATOM 1952 CB SER A 124 7.946 -1.255 0.236 1.00 0.00 C ATOM 1953 OG SER A 124 7.461 -2.423 -0.388 1.00 0.00 O ATOM 0 H SER A 124 9.318 -1.557 -2.145 1.00 0.00 H new ATOM 0 HA SER A 124 9.747 -0.105 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.871 -1.362 1.318 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.323 -0.406 -0.045 1.00 0.00 H new ATOM 0 HG SER A 124 7.981 -2.601 -1.199 1.00 0.00 H new ATOM 1959 N LYS A 125 11.127 -1.988 1.230 1.00 0.00 N ATOM 1960 CA LYS A 125 12.114 -3.007 1.553 1.00 0.00 C ATOM 1961 C LYS A 125 12.026 -3.395 3.020 1.00 0.00 C ATOM 1962 O LYS A 125 11.717 -2.566 3.872 1.00 0.00 O ATOM 1963 CB LYS A 125 13.526 -2.505 1.242 1.00 0.00 C ATOM 1964 CG LYS A 125 14.054 -1.522 2.263 1.00 0.00 C ATOM 1965 CD LYS A 125 15.503 -1.195 2.020 1.00 0.00 C ATOM 1966 CE LYS A 125 16.356 -2.362 2.460 1.00 0.00 C ATOM 1967 NZ LYS A 125 16.478 -2.445 3.941 1.00 0.00 N ATOM 0 H LYS A 125 11.122 -1.181 1.854 1.00 0.00 H new ATOM 0 HA LYS A 125 11.903 -3.884 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.202 -3.358 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.527 -2.033 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.463 -0.607 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.937 -1.938 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.669 -0.986 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.783 -0.297 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 125 15.924 -3.288 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 125 17.349 -2.270 2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.427 -2.789 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.331 -1.502 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.762 -3.101 4.312 1.00 0.00 H new ATOM 1981 N ARG A 126 12.312 -4.650 3.315 1.00 0.00 N ATOM 1982 CA ARG A 126 12.279 -5.122 4.683 1.00 0.00 C ATOM 1983 C ARG A 126 13.438 -4.537 5.466 1.00 0.00 C ATOM 1984 O ARG A 126 14.502 -4.251 4.915 1.00 0.00 O ATOM 1985 CB ARG A 126 12.333 -6.644 4.760 1.00 0.00 C ATOM 1986 CG ARG A 126 11.949 -7.184 6.128 1.00 0.00 C ATOM 1987 CD ARG A 126 12.862 -8.318 6.549 1.00 0.00 C ATOM 1988 NE ARG A 126 14.202 -7.837 6.886 1.00 0.00 N ATOM 1989 CZ ARG A 126 15.321 -8.501 6.617 1.00 0.00 C ATOM 1990 NH1 ARG A 126 15.277 -9.666 5.982 1.00 0.00 N ATOM 1991 NH2 ARG A 126 16.488 -7.988 6.978 1.00 0.00 N ATOM 0 H ARG A 126 12.569 -5.357 2.626 1.00 0.00 H new ATOM 0 HA ARG A 126 11.335 -4.794 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.664 -7.064 4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.340 -6.979 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.998 -6.382 6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.917 -7.534 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.432 -8.831 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.930 -9.049 5.743 1.00 0.00 H new ATOM 0 HE ARG A 126 14.282 -6.936 7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.379 -10.058 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.141 -10.169 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.523 -7.089 7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.351 -8.492 6.775 1.00 0.00 H new ATOM 2005 N ILE A 127 13.203 -4.339 6.741 1.00 0.00 N ATOM 2006 CA ILE A 127 14.191 -3.790 7.632 1.00 0.00 C ATOM 2007 C ILE A 127 14.906 -4.898 8.389 1.00 0.00 C ATOM 2008 O ILE A 127 14.447 -5.265 9.488 1.00 0.00 O ATOM 2009 CB ILE A 127 13.547 -2.824 8.615 1.00 0.00 C ATOM 2010 CG1 ILE A 127 12.042 -2.857 8.456 1.00 0.00 C ATOM 2011 CG2 ILE A 127 14.052 -1.424 8.356 1.00 0.00 C ATOM 2012 CD1 ILE A 127 11.372 -2.001 9.471 1.00 0.00 C ATOM 2013 OXT ILE A 127 15.905 -5.428 7.858 1.00 0.00 O ATOM 0 H ILE A 127 12.314 -4.557 7.190 1.00 0.00 H new ATOM 0 HA ILE A 127 14.922 -3.247 7.032 1.00 0.00 H new ATOM 0 HB ILE A 127 13.807 -3.121 9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.772 -2.518 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.687 -3.883 8.551 1.00 0.00 H new ATOM 0 HG21 ILE A 127 13.589 -0.734 9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 127 15.135 -1.399 8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.797 -1.128 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 127 10.292 -2.046 9.330 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.623 -2.357 10.470 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.710 -0.971 9.358 1.00 0.00 H new