USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 987 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 125 ASN : amide:sc= 0.392 K(o=0.11,f=-0.74) USER MOD Set 1.2: A 126 ASN : amide:sc= -0.281 K(o=0.11,f=-0.83) USER MOD Set 2.1: A 7 HIS : no HD1:sc= -0.503 K(o=-0.96,f=-2.4) USER MOD Set 2.2: A 90 GLN : amide:sc= -0.453 K(o=-0.96,f=-3.6) USER MOD Set 3.1: A 17 GLN : amide:sc= -1.3 K(o=-3.1,f=-8.4!) USER MOD Set 3.2: A 78 LYS NZ :NH3+ -109:sc= -1.81! (180deg=-3.91!) USER MOD Set 4.1: A 69 GLN : amide:sc= -0.658 X(o=-0.58,f=-0.22) USER MOD Set 4.2: A 70 TYR OH : rot -100:sc= 0.0776 USER MOD Set 5.1: A 38 CYS SG : rot 89:sc= -4.63! USER MOD Set 5.2: A 104 ASN : amide:sc= 0.144 X(o=-4.5,f=-4.2) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0737 (180deg=-0.401) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0134 (180deg=-0.222) USER MOD Single : A 3 HIS : no HE2:sc= -0.54 K(o=-0.54,f=-2.8!) USER MOD Single : A 4 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.28) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 6 HIS : no HD1:sc= -0.405 K(o=-0.41,f=-1.2) USER MOD Single : A 8 HIS : no HE2:sc= 0.496 K(o=0.5,f=-2.3!) USER MOD Single : A 9 MET CE :methyl -162:sc= -0.0892 (180deg=-0.511) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 16 THR OG1 : rot 33:sc= 0.208 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 22 MET CE :methyl -158:sc= -0.191 (180deg=-0.776) USER MOD Single : A 25 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.36) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 34 LYS NZ :NH3+ -122:sc= 0.103 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -80:sc= 1.18 USER MOD Single : A 37 SER OG : rot -30:sc= 0.508 USER MOD Single : A 39 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.5!) USER MOD Single : A 41 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -4.1! C(o=-4.1!,f=-6.3!) USER MOD Single : A 65 LYS NZ :NH3+ -139:sc= -2.06! (180deg=-4.79!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.25 X(o=-2.2,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.05) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0214 F(o=-2.4!,f=-0.021) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.39) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.737 USER MOD Single : A 91 TYR OH : rot -68:sc= 1.41 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 77:sc= 0.367 USER MOD Single : A 101 MET CE :methyl -140:sc= -0.368 (180deg=-3!) USER MOD Single : A 103 LYS NZ :NH3+ 178:sc= 0.528 (180deg=0.512) USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= -0.0277 (180deg=-0.203) USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= 1.27 (180deg=1.18) USER MOD Single : A 109 SER OG : rot 169:sc= 0.674 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.975 F(o=-2,f=-0.97) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.589) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.825 F(o=-2.3!,f=-0.83) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.163 F(o=-2.7!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.273 -58.002 -20.397 1.00 73.24 N ATOM 2 CA MET A 1 -8.515 -57.433 -19.050 1.00 53.02 C ATOM 3 C MET A 1 -9.661 -56.423 -19.105 1.00 61.40 C ATOM 4 O MET A 1 -9.450 -55.247 -19.409 1.00 10.15 O ATOM 5 CB MET A 1 -7.244 -56.753 -18.508 1.00 60.25 C ATOM 6 CG MET A 1 -6.051 -57.690 -18.359 1.00 75.42 C ATOM 7 SD MET A 1 -4.555 -56.842 -17.805 1.00 33.20 S ATOM 8 CE MET A 1 -5.058 -56.268 -16.182 1.00 63.14 C ATOM 0 H1 MET A 1 -7.669 -58.845 -20.315 1.00 73.24 H new ATOM 0 H2 MET A 1 -9.181 -58.268 -20.830 1.00 73.24 H new ATOM 0 H3 MET A 1 -7.799 -57.294 -20.993 1.00 73.24 H new ATOM 0 HA MET A 1 -8.786 -58.247 -18.378 1.00 53.02 H new ATOM 0 HB2 MET A 1 -6.969 -55.936 -19.175 1.00 60.25 H new ATOM 0 HB3 MET A 1 -7.468 -56.310 -17.537 1.00 60.25 H new ATOM 0 HG2 MET A 1 -6.301 -58.477 -17.648 1.00 75.42 H new ATOM 0 HG3 MET A 1 -5.855 -58.175 -19.315 1.00 75.42 H new ATOM 0 HE1 MET A 1 -4.177 -55.983 -15.608 1.00 63.14 H new ATOM 0 HE2 MET A 1 -5.716 -55.406 -16.289 1.00 63.14 H new ATOM 0 HE3 MET A 1 -5.588 -57.066 -15.662 1.00 63.14 H new ATOM 20 N ALA A 2 -10.877 -56.889 -18.832 1.00 4.20 N ATOM 21 CA ALA A 2 -12.057 -56.030 -18.873 1.00 23.41 C ATOM 22 C ALA A 2 -12.341 -55.435 -17.495 1.00 34.04 C ATOM 23 O ALA A 2 -12.365 -56.155 -16.495 1.00 4.43 O ATOM 24 CB ALA A 2 -13.267 -56.816 -19.375 1.00 14.54 C ATOM 0 H ALA A 2 -11.071 -57.858 -18.580 1.00 4.20 H new ATOM 0 HA ALA A 2 -11.862 -55.210 -19.564 1.00 23.41 H new ATOM 0 HB1 ALA A 2 -14.140 -56.163 -19.401 1.00 14.54 H new ATOM 0 HB2 ALA A 2 -13.066 -57.192 -20.378 1.00 14.54 H new ATOM 0 HB3 ALA A 2 -13.460 -57.654 -18.705 1.00 14.54 H new ATOM 30 N HIS A 3 -12.551 -54.122 -17.443 1.00 52.43 N ATOM 31 CA HIS A 3 -12.893 -53.450 -16.190 1.00 23.31 C ATOM 32 C HIS A 3 -14.409 -53.465 -15.990 1.00 63.32 C ATOM 33 O HIS A 3 -15.110 -52.500 -16.306 1.00 44.40 O ATOM 34 CB HIS A 3 -12.333 -52.014 -16.137 1.00 42.32 C ATOM 35 CG HIS A 3 -12.655 -51.162 -17.333 1.00 31.34 C ATOM 36 ND1 HIS A 3 -13.872 -50.542 -17.521 1.00 43.53 N ATOM 37 CD2 HIS A 3 -11.892 -50.812 -18.395 1.00 4.31 C ATOM 38 CE1 HIS A 3 -13.842 -49.848 -18.644 1.00 23.24 C ATOM 39 NE2 HIS A 3 -12.651 -49.994 -19.193 1.00 65.04 N ATOM 0 H HIS A 3 -12.491 -53.503 -18.251 1.00 52.43 H new ATOM 0 HA HIS A 3 -12.426 -53.997 -15.371 1.00 23.31 H new ATOM 0 HB2 HIS A 3 -12.720 -51.522 -15.245 1.00 42.32 H new ATOM 0 HB3 HIS A 3 -11.250 -52.066 -16.028 1.00 42.32 H new ATOM 0 HD1 HIS A 3 -14.671 -50.609 -16.891 1.00 43.53 H new ATOM 0 HD2 HIS A 3 -10.873 -51.120 -18.580 1.00 4.31 H new ATOM 0 HE1 HIS A 3 -14.655 -49.260 -19.045 1.00 23.24 H new ATOM 48 N HIS A 4 -14.905 -54.591 -15.488 1.00 71.22 N ATOM 49 CA HIS A 4 -16.341 -54.823 -15.340 1.00 40.44 C ATOM 50 C HIS A 4 -16.662 -55.391 -13.958 1.00 42.51 C ATOM 51 O HIS A 4 -15.961 -56.275 -13.467 1.00 15.33 O ATOM 52 CB HIS A 4 -16.813 -55.797 -16.432 1.00 22.12 C ATOM 53 CG HIS A 4 -18.240 -56.242 -16.289 1.00 24.11 C ATOM 54 ND1 HIS A 4 -18.615 -57.350 -15.558 1.00 5.22 N ATOM 55 CD2 HIS A 4 -19.385 -55.727 -16.796 1.00 70.13 C ATOM 56 CE1 HIS A 4 -19.923 -57.497 -15.622 1.00 43.14 C ATOM 57 NE2 HIS A 4 -20.414 -56.527 -16.365 1.00 33.43 N ATOM 0 H HIS A 4 -14.325 -55.369 -15.172 1.00 71.22 H new ATOM 0 HA HIS A 4 -16.863 -53.872 -15.444 1.00 40.44 H new ATOM 0 HB2 HIS A 4 -16.689 -55.321 -17.405 1.00 22.12 H new ATOM 0 HB3 HIS A 4 -16.168 -56.676 -16.422 1.00 22.12 H new ATOM 0 HD2 HIS A 4 -19.472 -54.851 -17.422 1.00 70.13 H new ATOM 0 HE1 HIS A 4 -20.495 -58.280 -15.146 1.00 43.14 H new ATOM 0 HE2 HIS A 4 -21.401 -56.392 -16.585 1.00 33.43 H new ATOM 66 N HIS A 5 -17.711 -54.862 -13.330 1.00 33.03 N ATOM 67 CA HIS A 5 -18.219 -55.400 -12.066 1.00 63.31 C ATOM 68 C HIS A 5 -19.743 -55.357 -12.062 1.00 14.45 C ATOM 69 O HIS A 5 -20.403 -56.396 -12.062 1.00 33.53 O ATOM 70 CB HIS A 5 -17.669 -54.625 -10.858 1.00 65.22 C ATOM 71 CG HIS A 5 -16.223 -54.897 -10.569 1.00 2.32 C ATOM 72 ND1 HIS A 5 -15.262 -53.911 -10.527 1.00 51.22 N ATOM 73 CD2 HIS A 5 -15.579 -56.055 -10.291 1.00 52.42 C ATOM 74 CE1 HIS A 5 -14.094 -54.453 -10.238 1.00 32.40 C ATOM 75 NE2 HIS A 5 -14.257 -55.751 -10.087 1.00 53.32 N ATOM 0 H HIS A 5 -18.230 -54.056 -13.678 1.00 33.03 H new ATOM 0 HA HIS A 5 -17.881 -56.433 -11.981 1.00 63.31 H new ATOM 0 HB2 HIS A 5 -17.800 -53.557 -11.034 1.00 65.22 H new ATOM 0 HB3 HIS A 5 -18.259 -54.878 -9.977 1.00 65.22 H new ATOM 0 HD2 HIS A 5 -16.024 -57.038 -10.239 1.00 52.42 H new ATOM 0 HE1 HIS A 5 -13.159 -53.920 -10.141 1.00 32.40 H new ATOM 0 HE2 HIS A 5 -13.522 -56.420 -9.857 1.00 53.32 H new ATOM 84 N HIS A 6 -20.291 -54.148 -12.076 1.00 75.12 N ATOM 85 CA HIS A 6 -21.735 -53.948 -12.093 1.00 34.43 C ATOM 86 C HIS A 6 -22.045 -52.538 -12.582 1.00 23.31 C ATOM 87 O HIS A 6 -21.248 -51.620 -12.384 1.00 54.44 O ATOM 88 CB HIS A 6 -22.332 -54.169 -10.693 1.00 42.00 C ATOM 89 CG HIS A 6 -23.829 -54.229 -10.682 1.00 13.52 C ATOM 90 ND1 HIS A 6 -24.628 -53.199 -10.236 1.00 32.33 N ATOM 91 CD2 HIS A 6 -24.675 -55.212 -11.073 1.00 12.01 C ATOM 92 CE1 HIS A 6 -25.896 -53.546 -10.353 1.00 63.32 C ATOM 93 NE2 HIS A 6 -25.951 -54.761 -10.857 1.00 73.40 N ATOM 0 H HIS A 6 -19.751 -53.283 -12.076 1.00 75.12 H new ATOM 0 HA HIS A 6 -22.185 -54.674 -12.770 1.00 34.43 H new ATOM 0 HB2 HIS A 6 -21.936 -55.097 -10.281 1.00 42.00 H new ATOM 0 HB3 HIS A 6 -22.004 -53.363 -10.036 1.00 42.00 H new ATOM 0 HD2 HIS A 6 -24.396 -56.173 -11.480 1.00 12.01 H new ATOM 0 HE1 HIS A 6 -26.745 -52.936 -10.081 1.00 63.32 H new ATOM 0 HE2 HIS A 6 -26.805 -55.282 -11.055 1.00 73.40 H new ATOM 102 N HIS A 7 -23.186 -52.374 -13.240 1.00 62.42 N ATOM 103 CA HIS A 7 -23.601 -51.072 -13.758 1.00 65.13 C ATOM 104 C HIS A 7 -24.674 -50.452 -12.872 1.00 32.10 C ATOM 105 O HIS A 7 -25.179 -51.092 -11.950 1.00 12.14 O ATOM 106 CB HIS A 7 -24.136 -51.204 -15.193 1.00 65.21 C ATOM 107 CG HIS A 7 -23.108 -51.621 -16.203 1.00 32.15 C ATOM 108 ND1 HIS A 7 -23.438 -52.174 -17.421 1.00 30.24 N ATOM 109 CD2 HIS A 7 -21.757 -51.543 -16.185 1.00 1.33 C ATOM 110 CE1 HIS A 7 -22.339 -52.420 -18.104 1.00 0.14 C ATOM 111 NE2 HIS A 7 -21.301 -52.046 -17.379 1.00 45.42 N ATOM 0 H HIS A 7 -23.845 -53.129 -13.429 1.00 62.42 H new ATOM 0 HA HIS A 7 -22.725 -50.423 -13.761 1.00 65.13 H new ATOM 0 HB2 HIS A 7 -24.949 -51.930 -15.199 1.00 65.21 H new ATOM 0 HB3 HIS A 7 -24.561 -50.248 -15.499 1.00 65.21 H new ATOM 0 HD2 HIS A 7 -21.149 -51.156 -15.380 1.00 1.33 H new ATOM 0 HE1 HIS A 7 -22.294 -52.855 -19.092 1.00 0.14 H new ATOM 0 HE2 HIS A 7 -20.323 -52.119 -17.659 1.00 45.42 H new ATOM 120 N HIS A 8 -25.003 -49.200 -13.157 1.00 13.45 N ATOM 121 CA HIS A 8 -26.087 -48.500 -12.480 1.00 23.23 C ATOM 122 C HIS A 8 -26.513 -47.300 -13.314 1.00 74.33 C ATOM 123 O HIS A 8 -25.760 -46.334 -13.437 1.00 52.42 O ATOM 124 CB HIS A 8 -25.666 -48.038 -11.079 1.00 33.02 C ATOM 125 CG HIS A 8 -26.725 -47.241 -10.379 1.00 23.32 C ATOM 126 ND1 HIS A 8 -26.849 -45.874 -10.514 1.00 24.34 N ATOM 127 CD2 HIS A 8 -27.722 -47.626 -9.550 1.00 53.33 C ATOM 128 CE1 HIS A 8 -27.877 -45.457 -9.801 1.00 31.13 C ATOM 129 NE2 HIS A 8 -28.425 -46.499 -9.206 1.00 15.55 N ATOM 0 H HIS A 8 -24.526 -48.640 -13.864 1.00 13.45 H new ATOM 0 HA HIS A 8 -26.923 -49.190 -12.368 1.00 23.23 H new ATOM 0 HB2 HIS A 8 -25.418 -48.911 -10.475 1.00 33.02 H new ATOM 0 HB3 HIS A 8 -24.760 -47.437 -11.158 1.00 33.02 H new ATOM 0 HD1 HIS A 8 -26.241 -45.279 -11.077 1.00 24.34 H new ATOM 0 HD2 HIS A 8 -27.927 -48.634 -9.220 1.00 53.33 H new ATOM 0 HE1 HIS A 8 -28.214 -44.434 -9.718 1.00 31.13 H new ATOM 138 N MET A 9 -27.713 -47.370 -13.883 1.00 13.43 N ATOM 139 CA MET A 9 -28.224 -46.316 -14.757 1.00 15.14 C ATOM 140 C MET A 9 -28.161 -44.956 -14.064 1.00 73.11 C ATOM 141 O MET A 9 -28.763 -44.757 -13.005 1.00 44.24 O ATOM 142 CB MET A 9 -29.663 -46.631 -15.198 1.00 12.04 C ATOM 143 CG MET A 9 -29.776 -47.886 -16.060 1.00 32.20 C ATOM 144 SD MET A 9 -31.472 -48.244 -16.576 1.00 63.45 S ATOM 145 CE MET A 9 -32.256 -48.546 -14.991 1.00 61.35 C ATOM 0 H MET A 9 -28.355 -48.152 -13.753 1.00 13.43 H new ATOM 0 HA MET A 9 -27.592 -46.274 -15.644 1.00 15.14 H new ATOM 0 HB2 MET A 9 -30.288 -46.751 -14.313 1.00 12.04 H new ATOM 0 HB3 MET A 9 -30.058 -45.781 -15.754 1.00 12.04 H new ATOM 0 HG2 MET A 9 -29.151 -47.769 -16.945 1.00 32.20 H new ATOM 0 HG3 MET A 9 -29.385 -48.738 -15.504 1.00 32.20 H new ATOM 0 HE1 MET A 9 -33.193 -49.081 -15.145 1.00 61.35 H new ATOM 0 HE2 MET A 9 -31.594 -49.146 -14.366 1.00 61.35 H new ATOM 0 HE3 MET A 9 -32.457 -47.595 -14.498 1.00 61.35 H new ATOM 155 N GLY A 10 -27.409 -44.038 -14.664 1.00 21.04 N ATOM 156 CA GLY A 10 -27.221 -42.717 -14.089 1.00 12.25 C ATOM 157 C GLY A 10 -28.473 -41.869 -14.160 1.00 70.45 C ATOM 158 O GLY A 10 -29.326 -42.080 -15.024 1.00 34.22 O ATOM 0 H GLY A 10 -26.922 -44.188 -15.547 1.00 21.04 H new ATOM 0 HA2 GLY A 10 -26.913 -42.818 -13.048 1.00 12.25 H new ATOM 0 HA3 GLY A 10 -26.412 -42.208 -14.613 1.00 12.25 H new ATOM 162 N THR A 11 -28.583 -40.908 -13.249 1.00 23.34 N ATOM 163 CA THR A 11 -29.744 -40.036 -13.183 1.00 5.34 C ATOM 164 C THR A 11 -29.631 -38.893 -14.201 1.00 73.25 C ATOM 165 O THR A 11 -30.324 -38.895 -15.224 1.00 41.22 O ATOM 166 CB THR A 11 -29.916 -39.467 -11.754 1.00 3.23 C ATOM 167 OG1 THR A 11 -29.911 -40.543 -10.802 1.00 31.45 O ATOM 168 CG2 THR A 11 -31.214 -38.674 -11.622 1.00 54.52 C ATOM 0 H THR A 11 -27.874 -40.715 -12.542 1.00 23.34 H new ATOM 0 HA THR A 11 -30.624 -40.629 -13.431 1.00 5.34 H new ATOM 0 HB THR A 11 -29.084 -38.791 -11.557 1.00 3.23 H new ATOM 0 HG1 THR A 11 -30.018 -40.180 -9.898 1.00 31.45 H new ATOM 0 HG21 THR A 11 -31.303 -38.289 -10.606 1.00 54.52 H new ATOM 0 HG22 THR A 11 -31.205 -37.842 -12.326 1.00 54.52 H new ATOM 0 HG23 THR A 11 -32.061 -39.324 -11.839 1.00 54.52 H new ATOM 176 N LEU A 12 -28.745 -37.930 -13.928 1.00 74.23 N ATOM 177 CA LEU A 12 -28.556 -36.766 -14.798 1.00 43.44 C ATOM 178 C LEU A 12 -27.154 -36.180 -14.642 1.00 71.21 C ATOM 179 O LEU A 12 -26.795 -35.691 -13.568 1.00 3.42 O ATOM 180 CB LEU A 12 -29.599 -35.671 -14.490 1.00 12.22 C ATOM 181 CG LEU A 12 -31.017 -35.915 -15.036 1.00 24.24 C ATOM 182 CD1 LEU A 12 -31.972 -34.820 -14.568 1.00 50.32 C ATOM 183 CD2 LEU A 12 -30.992 -35.998 -16.563 1.00 34.25 C ATOM 0 H LEU A 12 -28.143 -37.935 -13.104 1.00 74.23 H new ATOM 0 HA LEU A 12 -28.686 -37.109 -15.825 1.00 43.44 H new ATOM 0 HB2 LEU A 12 -29.663 -35.553 -13.408 1.00 12.22 H new ATOM 0 HB3 LEU A 12 -29.234 -34.726 -14.893 1.00 12.22 H new ATOM 0 HG LEU A 12 -31.378 -36.866 -14.646 1.00 24.24 H new ATOM 0 HD11 LEU A 12 -32.969 -35.012 -14.965 1.00 50.32 H new ATOM 0 HD12 LEU A 12 -32.011 -34.812 -13.479 1.00 50.32 H new ATOM 0 HD13 LEU A 12 -31.619 -33.852 -14.925 1.00 50.32 H new ATOM 0 HD21 LEU A 12 -32.002 -36.171 -16.935 1.00 34.25 H new ATOM 0 HD22 LEU A 12 -30.610 -35.063 -16.972 1.00 34.25 H new ATOM 0 HD23 LEU A 12 -30.346 -36.820 -16.872 1.00 34.25 H new ATOM 195 N GLU A 13 -26.364 -36.250 -15.707 1.00 14.14 N ATOM 196 CA GLU A 13 -25.101 -35.524 -15.788 1.00 12.15 C ATOM 197 C GLU A 13 -25.263 -34.398 -16.812 1.00 4.31 C ATOM 198 O GLU A 13 -25.369 -34.645 -18.013 1.00 75.42 O ATOM 199 CB GLU A 13 -23.944 -36.473 -16.159 1.00 73.01 C ATOM 200 CG GLU A 13 -24.141 -37.227 -17.471 1.00 3.41 C ATOM 201 CD GLU A 13 -23.075 -38.288 -17.713 1.00 32.20 C ATOM 202 OE1 GLU A 13 -23.368 -39.487 -17.503 1.00 74.13 O ATOM 203 OE2 GLU A 13 -21.948 -37.925 -18.103 1.00 51.23 O1- ATOM 0 H GLU A 13 -26.578 -36.807 -16.534 1.00 14.14 H new ATOM 0 HA GLU A 13 -24.850 -35.095 -14.818 1.00 12.15 H new ATOM 0 HB2 GLU A 13 -23.022 -35.895 -16.222 1.00 73.01 H new ATOM 0 HB3 GLU A 13 -23.812 -37.197 -15.355 1.00 73.01 H new ATOM 0 HG2 GLU A 13 -25.123 -37.700 -17.468 1.00 3.41 H new ATOM 0 HG3 GLU A 13 -24.132 -36.516 -18.297 1.00 3.41 H new ATOM 210 N ALA A 14 -25.349 -33.163 -16.325 1.00 44.53 N ATOM 211 CA ALA A 14 -25.646 -32.024 -17.186 1.00 21.22 C ATOM 212 C ALA A 14 -25.284 -30.710 -16.506 1.00 50.53 C ATOM 213 O ALA A 14 -24.925 -30.695 -15.325 1.00 52.13 O ATOM 214 CB ALA A 14 -27.120 -32.031 -17.578 1.00 0.11 C ATOM 0 H ALA A 14 -25.218 -32.927 -15.342 1.00 44.53 H new ATOM 0 HA ALA A 14 -25.039 -32.113 -18.087 1.00 21.22 H new ATOM 0 HB1 ALA A 14 -27.330 -31.176 -18.221 1.00 0.11 H new ATOM 0 HB2 ALA A 14 -27.350 -32.952 -18.113 1.00 0.11 H new ATOM 0 HB3 ALA A 14 -27.735 -31.970 -16.680 1.00 0.11 H new ATOM 220 N GLN A 15 -25.399 -29.619 -17.268 1.00 4.44 N ATOM 221 CA GLN A 15 -25.055 -28.271 -16.810 1.00 35.21 C ATOM 222 C GLN A 15 -23.536 -28.124 -16.765 1.00 15.42 C ATOM 223 O GLN A 15 -22.881 -28.551 -15.811 1.00 13.51 O ATOM 224 CB GLN A 15 -25.695 -27.950 -15.446 1.00 23.33 C ATOM 225 CG GLN A 15 -25.559 -26.489 -15.022 1.00 20.14 C ATOM 226 CD GLN A 15 -26.261 -26.188 -13.706 1.00 2.31 C ATOM 227 OE1 GLN A 15 -26.361 -27.043 -12.829 1.00 15.13 O ATOM 228 NE2 GLN A 15 -26.761 -24.972 -13.564 1.00 70.34 N ATOM 0 H GLN A 15 -25.737 -29.647 -18.230 1.00 4.44 H new ATOM 0 HA GLN A 15 -25.460 -27.548 -17.518 1.00 35.21 H new ATOM 0 HB2 GLN A 15 -26.753 -28.209 -15.483 1.00 23.33 H new ATOM 0 HB3 GLN A 15 -25.238 -28.582 -14.685 1.00 23.33 H new ATOM 0 HG2 GLN A 15 -24.502 -26.239 -14.930 1.00 20.14 H new ATOM 0 HG3 GLN A 15 -25.971 -25.849 -15.803 1.00 20.14 H new ATOM 0 HE21 GLN A 15 -26.659 -24.288 -14.314 1.00 70.34 H new ATOM 0 HE22 GLN A 15 -27.249 -24.718 -12.705 1.00 70.34 H new ATOM 237 N THR A 16 -22.988 -27.539 -17.830 1.00 54.35 N ATOM 238 CA THR A 16 -21.548 -27.455 -18.035 1.00 70.15 C ATOM 239 C THR A 16 -20.829 -26.768 -16.873 1.00 32.44 C ATOM 240 O THR A 16 -21.109 -25.610 -16.553 1.00 63.23 O ATOM 241 CB THR A 16 -21.222 -26.707 -19.351 1.00 55.41 C ATOM 242 OG1 THR A 16 -21.852 -25.416 -19.351 1.00 33.34 O ATOM 243 CG2 THR A 16 -21.693 -27.501 -20.567 1.00 42.31 C ATOM 0 H THR A 16 -23.535 -27.109 -18.576 1.00 54.35 H new ATOM 0 HA THR A 16 -21.187 -28.482 -18.094 1.00 70.15 H new ATOM 0 HB THR A 16 -20.140 -26.589 -19.411 1.00 55.41 H new ATOM 0 HG1 THR A 16 -21.885 -25.068 -18.435 1.00 33.34 H new ATOM 0 HG21 THR A 16 -21.451 -26.951 -21.477 1.00 42.31 H new ATOM 0 HG22 THR A 16 -21.194 -28.470 -20.585 1.00 42.31 H new ATOM 0 HG23 THR A 16 -22.771 -27.650 -20.509 1.00 42.31 H new ATOM 251 N GLN A 17 -19.911 -27.500 -16.248 1.00 5.12 N ATOM 252 CA GLN A 17 -19.027 -26.945 -15.229 1.00 31.24 C ATOM 253 C GLN A 17 -17.891 -26.177 -15.903 1.00 21.02 C ATOM 254 O GLN A 17 -17.703 -26.284 -17.118 1.00 15.31 O ATOM 255 CB GLN A 17 -18.453 -28.071 -14.358 1.00 44.40 C ATOM 256 CG GLN A 17 -19.485 -28.776 -13.483 1.00 20.35 C ATOM 257 CD GLN A 17 -18.910 -29.987 -12.762 1.00 71.40 C ATOM 258 OE1 GLN A 17 -18.033 -30.674 -13.282 1.00 24.53 O ATOM 259 NE2 GLN A 17 -19.391 -30.255 -11.558 1.00 70.42 N ATOM 0 H GLN A 17 -19.760 -28.492 -16.433 1.00 5.12 H new ATOM 0 HA GLN A 17 -19.595 -26.266 -14.593 1.00 31.24 H new ATOM 0 HB2 GLN A 17 -17.978 -28.808 -15.005 1.00 44.40 H new ATOM 0 HB3 GLN A 17 -17.673 -27.658 -13.718 1.00 44.40 H new ATOM 0 HG2 GLN A 17 -19.875 -28.072 -12.748 1.00 20.35 H new ATOM 0 HG3 GLN A 17 -20.326 -29.091 -14.101 1.00 20.35 H new ATOM 0 HE21 GLN A 17 -20.119 -29.664 -11.156 1.00 70.42 H new ATOM 0 HE22 GLN A 17 -19.034 -31.053 -11.032 1.00 70.42 H new ATOM 268 N GLY A 18 -17.133 -25.418 -15.117 1.00 22.20 N ATOM 269 CA GLY A 18 -16.008 -24.664 -15.650 1.00 74.21 C ATOM 270 C GLY A 18 -14.676 -25.243 -15.203 1.00 24.32 C ATOM 271 O GLY A 18 -14.138 -24.830 -14.176 1.00 62.33 O ATOM 0 H GLY A 18 -17.278 -25.310 -14.113 1.00 22.20 H new ATOM 0 HA2 GLY A 18 -16.056 -24.661 -16.739 1.00 74.21 H new ATOM 0 HA3 GLY A 18 -16.080 -23.626 -15.325 1.00 74.21 H new ATOM 275 N PRO A 19 -14.110 -26.202 -15.961 1.00 54.21 N ATOM 276 CA PRO A 19 -12.867 -26.883 -15.589 1.00 75.33 C ATOM 277 C PRO A 19 -11.620 -26.120 -16.050 1.00 4.25 C ATOM 278 O PRO A 19 -10.640 -26.718 -16.499 1.00 21.34 O ATOM 279 CB PRO A 19 -13.004 -28.221 -16.318 1.00 30.43 C ATOM 280 CG PRO A 19 -13.764 -27.896 -17.565 1.00 41.32 C ATOM 281 CD PRO A 19 -14.637 -26.701 -17.246 1.00 21.44 C ATOM 0 HA PRO A 19 -12.737 -26.975 -14.511 1.00 75.33 H new ATOM 0 HB2 PRO A 19 -12.028 -28.648 -16.549 1.00 30.43 H new ATOM 0 HB3 PRO A 19 -13.536 -28.952 -15.709 1.00 30.43 H new ATOM 0 HG2 PRO A 19 -13.083 -27.669 -18.385 1.00 41.32 H new ATOM 0 HG3 PRO A 19 -14.371 -28.745 -17.880 1.00 41.32 H new ATOM 0 HD2 PRO A 19 -14.573 -25.941 -18.025 1.00 21.44 H new ATOM 0 HD3 PRO A 19 -15.686 -26.985 -17.163 1.00 21.44 H new ATOM 289 N GLY A 20 -11.658 -24.799 -15.920 1.00 0.13 N ATOM 290 CA GLY A 20 -10.512 -23.975 -16.272 1.00 11.40 C ATOM 291 C GLY A 20 -9.587 -23.787 -15.087 1.00 30.41 C ATOM 292 O GLY A 20 -9.187 -22.667 -14.770 1.00 31.00 O ATOM 0 H GLY A 20 -12.465 -24.280 -15.575 1.00 0.13 H new ATOM 0 HA2 GLY A 20 -9.966 -24.439 -17.093 1.00 11.40 H new ATOM 0 HA3 GLY A 20 -10.855 -23.003 -16.627 1.00 11.40 H new ATOM 296 N SER A 21 -9.242 -24.895 -14.442 1.00 65.42 N ATOM 297 CA SER A 21 -8.488 -24.873 -13.194 1.00 70.35 C ATOM 298 C SER A 21 -7.569 -26.097 -13.117 1.00 61.03 C ATOM 299 O SER A 21 -7.290 -26.723 -14.141 1.00 35.42 O ATOM 300 CB SER A 21 -9.474 -24.853 -12.020 1.00 2.21 C ATOM 301 OG SER A 21 -10.369 -23.757 -12.125 1.00 14.23 O ATOM 0 H SER A 21 -9.476 -25.832 -14.768 1.00 65.42 H new ATOM 0 HA SER A 21 -7.863 -23.981 -13.150 1.00 70.35 H new ATOM 0 HB2 SER A 21 -10.037 -25.786 -11.998 1.00 2.21 H new ATOM 0 HB3 SER A 21 -8.925 -24.790 -11.081 1.00 2.21 H new ATOM 0 HG SER A 21 -10.989 -23.767 -11.366 1.00 14.23 H new ATOM 307 N MET A 22 -7.097 -26.432 -11.909 1.00 71.32 N ATOM 308 CA MET A 22 -6.247 -27.615 -11.707 1.00 14.44 C ATOM 309 C MET A 22 -6.947 -28.889 -12.182 1.00 34.21 C ATOM 310 O MET A 22 -6.293 -29.876 -12.525 1.00 25.22 O ATOM 311 CB MET A 22 -5.858 -27.761 -10.226 1.00 32.01 C ATOM 312 CG MET A 22 -4.797 -26.771 -9.757 1.00 64.35 C ATOM 313 SD MET A 22 -3.182 -27.064 -10.515 1.00 62.34 S ATOM 314 CE MET A 22 -2.819 -28.726 -9.943 1.00 41.55 C ATOM 0 H MET A 22 -7.288 -25.903 -11.058 1.00 71.32 H new ATOM 0 HA MET A 22 -5.344 -27.472 -12.301 1.00 14.44 H new ATOM 0 HB2 MET A 22 -6.751 -27.636 -9.614 1.00 32.01 H new ATOM 0 HB3 MET A 22 -5.494 -28.774 -10.056 1.00 32.01 H new ATOM 0 HG2 MET A 22 -5.124 -25.758 -9.990 1.00 64.35 H new ATOM 0 HG3 MET A 22 -4.701 -26.834 -8.673 1.00 64.35 H new ATOM 0 HE1 MET A 22 -1.743 -28.898 -9.984 1.00 41.55 H new ATOM 0 HE2 MET A 22 -3.167 -28.841 -8.916 1.00 41.55 H new ATOM 0 HE3 MET A 22 -3.326 -29.449 -10.581 1.00 41.55 H new ATOM 324 N ILE A 23 -8.276 -28.864 -12.188 1.00 11.52 N ATOM 325 CA ILE A 23 -9.062 -30.008 -12.632 1.00 62.20 C ATOM 326 C ILE A 23 -9.021 -30.114 -14.157 1.00 11.52 C ATOM 327 O ILE A 23 -9.557 -29.257 -14.865 1.00 51.53 O ATOM 328 CB ILE A 23 -10.533 -29.909 -12.155 1.00 4.53 C ATOM 329 CG1 ILE A 23 -10.598 -29.598 -10.645 1.00 14.53 C ATOM 330 CG2 ILE A 23 -11.290 -31.202 -12.474 1.00 3.25 C ATOM 331 CD1 ILE A 23 -9.915 -30.630 -9.770 1.00 12.43 C ATOM 0 H ILE A 23 -8.831 -28.062 -11.890 1.00 11.52 H new ATOM 0 HA ILE A 23 -8.622 -30.902 -12.191 1.00 62.20 H new ATOM 0 HB ILE A 23 -11.012 -29.090 -12.691 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -10.140 -28.625 -10.465 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -11.643 -29.519 -10.346 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -12.321 -31.114 -12.132 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -11.278 -31.374 -13.550 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -10.810 -32.039 -11.967 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -10.006 -30.338 -8.724 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -10.387 -31.602 -9.917 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -8.861 -30.694 -10.039 1.00 12.43 H new ATOM 343 N GLU A 24 -8.373 -31.164 -14.649 1.00 63.12 N ATOM 344 CA GLU A 24 -8.183 -31.366 -16.080 1.00 10.03 C ATOM 345 C GLU A 24 -9.505 -31.738 -16.755 1.00 51.50 C ATOM 346 O GLU A 24 -10.373 -32.360 -16.141 1.00 10.23 O ATOM 347 CB GLU A 24 -7.148 -32.473 -16.311 1.00 41.42 C ATOM 348 CG GLU A 24 -6.621 -32.545 -17.739 1.00 40.21 C ATOM 349 CD GLU A 24 -5.760 -31.349 -18.095 1.00 32.25 C ATOM 350 OE1 GLU A 24 -6.292 -30.361 -18.643 1.00 35.10 O ATOM 351 OE2 GLU A 24 -4.540 -31.391 -17.820 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.966 -31.897 -14.069 1.00 63.12 H new ATOM 0 HA GLU A 24 -7.824 -30.435 -16.519 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -6.309 -32.318 -15.633 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -7.595 -33.433 -16.051 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -6.040 -33.459 -17.864 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -7.461 -32.604 -18.431 1.00 40.21 H new ATOM 358 N GLN A 25 -9.641 -31.366 -18.024 1.00 3.42 N ATOM 359 CA GLN A 25 -10.859 -31.631 -18.792 1.00 70.21 C ATOM 360 C GLN A 25 -10.554 -32.537 -19.989 1.00 62.55 C ATOM 361 O GLN A 25 -9.654 -32.252 -20.784 1.00 71.41 O ATOM 362 CB GLN A 25 -11.484 -30.304 -19.247 1.00 35.52 C ATOM 363 CG GLN A 25 -10.514 -29.383 -19.979 1.00 35.52 C ATOM 364 CD GLN A 25 -11.099 -28.005 -20.228 1.00 34.41 C ATOM 365 OE1 GLN A 25 -11.727 -27.758 -21.255 1.00 41.35 O ATOM 366 NE2 GLN A 25 -10.906 -27.096 -19.281 1.00 13.53 N ATOM 0 H GLN A 25 -8.917 -30.875 -18.549 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.576 -32.152 -18.157 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -12.330 -30.517 -19.900 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -11.878 -29.782 -18.375 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -9.599 -29.286 -19.395 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -10.238 -29.835 -20.932 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -10.379 -27.338 -18.442 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -11.284 -26.155 -19.392 1.00 13.53 H new ATOM 375 N ILE A 26 -11.298 -33.640 -20.099 1.00 73.45 N ATOM 376 CA ILE A 26 -11.065 -34.642 -21.141 1.00 30.23 C ATOM 377 C ILE A 26 -12.386 -35.227 -21.651 1.00 44.22 C ATOM 378 O ILE A 26 -13.444 -35.026 -21.046 1.00 73.54 O ATOM 379 CB ILE A 26 -10.169 -35.798 -20.617 1.00 32.02 C ATOM 380 CG1 ILE A 26 -10.835 -36.503 -19.419 1.00 24.53 C ATOM 381 CG2 ILE A 26 -8.781 -35.280 -20.237 1.00 54.44 C ATOM 382 CD1 ILE A 26 -10.007 -37.625 -18.827 1.00 35.42 C ATOM 0 H ILE A 26 -12.073 -33.863 -19.474 1.00 73.45 H new ATOM 0 HA ILE A 26 -10.556 -34.136 -21.961 1.00 30.23 H new ATOM 0 HB ILE A 26 -10.051 -36.527 -21.419 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -11.037 -35.765 -18.642 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -11.798 -36.904 -19.736 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -8.171 -36.107 -19.873 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -8.306 -34.837 -21.112 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.875 -34.527 -19.455 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -10.544 -38.070 -17.989 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -9.827 -38.385 -19.588 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -9.054 -37.228 -18.477 1.00 35.42 H new ATOM 394 N GLY A 27 -12.313 -35.934 -22.777 1.00 62.23 N ATOM 395 CA GLY A 27 -13.475 -36.609 -23.336 1.00 35.05 C ATOM 396 C GLY A 27 -13.487 -38.100 -23.031 1.00 75.43 C ATOM 397 O GLY A 27 -12.736 -38.570 -22.172 1.00 55.43 O ATOM 0 H GLY A 27 -11.457 -36.052 -23.319 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -14.382 -36.153 -22.939 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -13.491 -36.462 -24.416 1.00 35.05 H new ATOM 401 N ASP A 28 -14.320 -38.850 -23.758 1.00 55.22 N ATOM 402 CA ASP A 28 -14.513 -40.285 -23.500 1.00 30.13 C ATOM 403 C ASP A 28 -13.266 -41.087 -23.860 1.00 31.43 C ATOM 404 O ASP A 28 -12.705 -41.793 -23.020 1.00 52.43 O ATOM 405 CB ASP A 28 -15.716 -40.821 -24.294 1.00 2.44 C ATOM 406 CG ASP A 28 -15.977 -42.299 -24.029 1.00 31.34 C ATOM 407 OD1 ASP A 28 -16.849 -42.617 -23.191 1.00 33.35 O ATOM 408 OD2 ASP A 28 -15.303 -43.152 -24.644 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.875 -38.488 -24.534 1.00 55.22 H new ATOM 0 HA ASP A 28 -14.704 -40.402 -22.433 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -16.605 -40.246 -24.034 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -15.540 -40.671 -25.359 1.00 2.44 H new ATOM 413 N SER A 29 -12.831 -40.972 -25.112 1.00 43.14 N ATOM 414 CA SER A 29 -11.647 -41.685 -25.578 1.00 21.41 C ATOM 415 C SER A 29 -10.400 -41.147 -24.884 1.00 74.42 C ATOM 416 O SER A 29 -9.415 -41.873 -24.694 1.00 31.25 O ATOM 417 CB SER A 29 -11.519 -41.564 -27.102 1.00 13.32 C ATOM 418 OG SER A 29 -12.671 -42.083 -27.750 1.00 44.32 O ATOM 0 H SER A 29 -13.281 -40.392 -25.821 1.00 43.14 H new ATOM 0 HA SER A 29 -11.749 -42.741 -25.327 1.00 21.41 H new ATOM 0 HB2 SER A 29 -11.382 -40.518 -27.378 1.00 13.32 H new ATOM 0 HB3 SER A 29 -10.633 -42.102 -27.440 1.00 13.32 H new ATOM 0 HG SER A 29 -12.568 -41.994 -28.721 1.00 44.32 H new ATOM 424 N GLU A 30 -10.456 -39.873 -24.492 1.00 44.24 N ATOM 425 CA GLU A 30 -9.366 -39.252 -23.756 1.00 41.13 C ATOM 426 C GLU A 30 -9.261 -39.842 -22.357 1.00 44.35 C ATOM 427 O GLU A 30 -8.175 -39.914 -21.801 1.00 55.03 O ATOM 428 CB GLU A 30 -9.555 -37.737 -23.655 1.00 34.32 C ATOM 429 CG GLU A 30 -9.422 -37.000 -24.978 1.00 30.32 C ATOM 430 CD GLU A 30 -9.495 -35.493 -24.799 1.00 70.04 C ATOM 431 OE1 GLU A 30 -10.607 -34.933 -24.892 1.00 75.54 O ATOM 432 OE2 GLU A 30 -8.445 -34.868 -24.539 1.00 72.31 O1- ATOM 0 H GLU A 30 -11.247 -39.255 -24.674 1.00 44.24 H new ATOM 0 HA GLU A 30 -8.446 -39.453 -24.305 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -10.540 -37.533 -23.236 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -8.822 -37.337 -22.954 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -8.474 -37.264 -25.447 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -10.213 -37.324 -25.655 1.00 30.32 H new ATOM 439 N PHE A 31 -10.394 -40.253 -21.791 1.00 52.35 N ATOM 440 CA PHE A 31 -10.403 -40.869 -20.465 1.00 4.33 C ATOM 441 C PHE A 31 -9.413 -42.026 -20.421 1.00 54.44 C ATOM 442 O PHE A 31 -8.444 -42.005 -19.661 1.00 42.52 O ATOM 443 CB PHE A 31 -11.815 -41.355 -20.101 1.00 52.22 C ATOM 444 CG PHE A 31 -11.904 -42.035 -18.756 1.00 11.55 C ATOM 445 CD1 PHE A 31 -11.902 -43.421 -18.658 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.989 -41.288 -17.589 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.984 -44.044 -17.429 1.00 3.32 C ATOM 448 CE2 PHE A 31 -12.071 -41.910 -16.357 1.00 65.25 C ATOM 449 CZ PHE A 31 -12.070 -43.288 -16.278 1.00 11.43 C ATOM 0 H PHE A 31 -11.313 -40.172 -22.226 1.00 52.35 H new ATOM 0 HA PHE A 31 -10.103 -40.121 -19.732 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -12.495 -40.503 -20.111 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -12.159 -42.047 -20.870 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -11.835 -44.019 -19.555 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.991 -40.209 -17.644 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -11.981 -45.122 -17.368 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -12.136 -41.318 -15.456 1.00 65.25 H new ATOM 0 HZ PHE A 31 -12.136 -43.774 -15.316 1.00 11.43 H new ATOM 459 N ASP A 32 -9.645 -43.010 -21.283 1.00 24.45 N ATOM 460 CA ASP A 32 -8.802 -44.202 -21.359 1.00 14.44 C ATOM 461 C ASP A 32 -7.334 -43.819 -21.561 1.00 54.45 C ATOM 462 O ASP A 32 -6.446 -44.325 -20.871 1.00 73.42 O ATOM 463 CB ASP A 32 -9.293 -45.103 -22.505 1.00 2.53 C ATOM 464 CG ASP A 32 -8.376 -46.285 -22.781 1.00 22.33 C ATOM 465 OD1 ASP A 32 -8.576 -47.364 -22.184 1.00 54.10 O ATOM 466 OD2 ASP A 32 -7.462 -46.146 -23.623 1.00 35.01 O1- ATOM 0 H ASP A 32 -10.419 -43.006 -21.947 1.00 24.45 H new ATOM 0 HA ASP A 32 -8.874 -44.749 -20.419 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -10.289 -45.474 -22.264 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -9.386 -44.506 -23.412 1.00 2.53 H new ATOM 471 N ASN A 33 -7.097 -42.893 -22.484 1.00 43.22 N ATOM 472 CA ASN A 33 -5.739 -42.481 -22.844 1.00 4.32 C ATOM 473 C ASN A 33 -5.041 -41.766 -21.685 1.00 12.24 C ATOM 474 O ASN A 33 -3.980 -42.188 -21.221 1.00 43.20 O ATOM 475 CB ASN A 33 -5.783 -41.565 -24.073 1.00 4.00 C ATOM 476 CG ASN A 33 -4.411 -41.031 -24.457 1.00 1.45 C ATOM 477 OD1 ASN A 33 -4.007 -39.951 -24.020 1.00 34.52 O ATOM 478 ND2 ASN A 33 -3.684 -41.785 -25.266 1.00 23.04 N ATOM 0 H ASN A 33 -7.831 -42.409 -23.001 1.00 43.22 H new ATOM 0 HA ASN A 33 -5.166 -43.379 -23.075 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -6.203 -42.114 -24.915 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -6.451 -40.728 -23.873 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -2.753 -41.479 -25.550 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -4.054 -42.673 -25.606 1.00 23.04 H new ATOM 485 N LYS A 34 -5.660 -40.692 -21.216 1.00 32.10 N ATOM 486 CA LYS A 34 -5.098 -39.856 -20.161 1.00 63.34 C ATOM 487 C LYS A 34 -4.887 -40.656 -18.874 1.00 13.43 C ATOM 488 O LYS A 34 -3.967 -40.369 -18.106 1.00 20.22 O ATOM 489 CB LYS A 34 -6.014 -38.654 -19.899 1.00 42.13 C ATOM 490 CG LYS A 34 -6.172 -37.708 -21.094 1.00 54.23 C ATOM 491 CD LYS A 34 -4.881 -36.950 -21.412 1.00 2.25 C ATOM 492 CE LYS A 34 -5.117 -35.797 -22.393 1.00 10.31 C ATOM 493 NZ LYS A 34 -5.621 -36.265 -23.712 1.00 61.25 N1+ ATOM 0 H LYS A 34 -6.568 -40.374 -21.556 1.00 32.10 H new ATOM 0 HA LYS A 34 -4.124 -39.496 -20.494 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -6.999 -39.019 -19.607 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -5.620 -38.090 -19.054 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -6.479 -38.281 -21.969 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -6.968 -36.993 -20.885 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -4.454 -36.558 -20.489 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -4.150 -37.640 -21.833 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -5.833 -35.098 -21.961 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -4.185 -35.250 -22.537 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -4.970 -35.956 -24.462 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -5.681 -37.303 -23.712 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -6.565 -35.864 -23.885 1.00 61.25 H new ATOM 507 N VAL A 35 -5.740 -41.655 -18.643 1.00 1.14 N ATOM 508 CA VAL A 35 -5.592 -42.530 -17.481 1.00 22.00 C ATOM 509 C VAL A 35 -4.415 -43.490 -17.674 1.00 74.14 C ATOM 510 O VAL A 35 -3.605 -43.676 -16.765 1.00 12.35 O ATOM 511 CB VAL A 35 -6.891 -43.330 -17.180 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.651 -44.385 -16.096 1.00 55.41 C ATOM 513 CG2 VAL A 35 -8.021 -42.387 -16.762 1.00 4.12 C ATOM 0 H VAL A 35 -6.536 -41.877 -19.241 1.00 1.14 H new ATOM 0 HA VAL A 35 -5.394 -41.889 -16.622 1.00 22.00 H new ATOM 0 HB VAL A 35 -7.186 -43.844 -18.095 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -7.576 -44.929 -15.906 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.883 -45.082 -16.430 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -6.323 -43.896 -15.179 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.921 -42.966 -16.556 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.727 -41.842 -15.865 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -8.221 -41.680 -17.567 1.00 4.12 H new ATOM 523 N THR A 36 -4.310 -44.087 -18.863 1.00 14.23 N ATOM 524 CA THR A 36 -3.198 -44.991 -19.165 1.00 5.43 C ATOM 525 C THR A 36 -1.888 -44.211 -19.339 1.00 53.41 C ATOM 526 O THR A 36 -0.799 -44.787 -19.318 1.00 51.32 O ATOM 527 CB THR A 36 -3.479 -45.839 -20.429 1.00 11.34 C ATOM 528 OG1 THR A 36 -3.847 -44.989 -21.525 1.00 35.24 O ATOM 529 CG2 THR A 36 -4.588 -46.856 -20.171 1.00 31.14 C ATOM 0 H THR A 36 -4.975 -43.963 -19.626 1.00 14.23 H new ATOM 0 HA THR A 36 -3.096 -45.668 -18.317 1.00 5.43 H new ATOM 0 HB THR A 36 -2.566 -46.379 -20.682 1.00 11.34 H new ATOM 0 HG1 THR A 36 -4.789 -44.734 -21.439 1.00 35.24 H new ATOM 0 HG21 THR A 36 -4.765 -47.438 -21.075 1.00 31.14 H new ATOM 0 HG22 THR A 36 -4.289 -47.523 -19.363 1.00 31.14 H new ATOM 0 HG23 THR A 36 -5.503 -46.334 -19.891 1.00 31.14 H new ATOM 537 N SER A 37 -2.013 -42.893 -19.495 1.00 74.54 N ATOM 538 CA SER A 37 -0.859 -41.999 -19.618 1.00 42.32 C ATOM 539 C SER A 37 -0.116 -41.857 -18.280 1.00 73.45 C ATOM 540 O SER A 37 0.872 -41.128 -18.186 1.00 65.42 O ATOM 541 CB SER A 37 -1.325 -40.619 -20.122 1.00 1.24 C ATOM 542 OG SER A 37 -0.237 -39.731 -20.333 1.00 11.40 O ATOM 0 H SER A 37 -2.913 -42.415 -19.540 1.00 74.54 H new ATOM 0 HA SER A 37 -0.164 -42.432 -20.337 1.00 42.32 H new ATOM 0 HB2 SER A 37 -1.878 -40.742 -21.053 1.00 1.24 H new ATOM 0 HB3 SER A 37 -2.013 -40.183 -19.398 1.00 1.24 H new ATOM 0 HG SER A 37 0.490 -39.951 -19.713 1.00 11.40 H new ATOM 548 N CYS A 38 -0.601 -42.547 -17.247 1.00 31.04 N ATOM 549 CA CYS A 38 0.041 -42.536 -15.936 1.00 10.42 C ATOM 550 C CYS A 38 1.485 -43.037 -16.035 1.00 51.55 C ATOM 551 O CYS A 38 1.732 -44.165 -16.470 1.00 23.12 O ATOM 552 CB CYS A 38 -0.760 -43.405 -14.964 1.00 55.23 C ATOM 553 SG CYS A 38 -1.038 -45.089 -15.557 1.00 22.33 S ATOM 0 H CYS A 38 -1.441 -43.123 -17.296 1.00 31.04 H new ATOM 0 HA CYS A 38 0.064 -41.512 -15.564 1.00 10.42 H new ATOM 0 HB2 CYS A 38 -0.234 -43.447 -14.010 1.00 55.23 H new ATOM 0 HB3 CYS A 38 -1.724 -42.931 -14.776 1.00 55.23 H new ATOM 0 HG CYS A 38 -0.055 -45.850 -15.178 1.00 22.33 H new ATOM 559 N ASN A 39 2.434 -42.188 -15.647 1.00 72.42 N ATOM 560 CA ASN A 39 3.856 -42.531 -15.704 1.00 15.33 C ATOM 561 C ASN A 39 4.199 -43.634 -14.699 1.00 11.44 C ATOM 562 O ASN A 39 4.426 -44.785 -15.081 1.00 34.54 O ATOM 563 CB ASN A 39 4.724 -41.289 -15.437 1.00 42.12 C ATOM 564 CG ASN A 39 4.576 -40.212 -16.503 1.00 14.24 C ATOM 565 OD1 ASN A 39 3.521 -40.062 -17.117 1.00 23.53 O ATOM 566 ND2 ASN A 39 5.636 -39.449 -16.722 1.00 10.15 N ATOM 0 H ASN A 39 2.244 -41.252 -15.288 1.00 72.42 H new ATOM 0 HA ASN A 39 4.067 -42.902 -16.707 1.00 15.33 H new ATOM 0 HB2 ASN A 39 4.458 -40.870 -14.467 1.00 42.12 H new ATOM 0 HB3 ASN A 39 5.770 -41.591 -15.378 1.00 42.12 H new ATOM 0 HD21 ASN A 39 5.594 -38.706 -17.420 1.00 10.15 H new ATOM 0 HD22 ASN A 39 6.494 -39.604 -16.193 1.00 10.15 H new ATOM 573 N ASP A 40 4.228 -43.277 -13.416 1.00 2.41 N ATOM 574 CA ASP A 40 4.582 -44.222 -12.352 1.00 42.21 C ATOM 575 C ASP A 40 4.003 -43.763 -11.017 1.00 11.11 C ATOM 576 O ASP A 40 4.221 -42.625 -10.603 1.00 52.12 O ATOM 577 CB ASP A 40 6.109 -44.356 -12.248 1.00 54.20 C ATOM 578 CG ASP A 40 6.554 -45.175 -11.045 1.00 63.42 C ATOM 579 OD1 ASP A 40 6.499 -46.421 -11.109 1.00 24.22 O ATOM 580 OD2 ASP A 40 6.971 -44.576 -10.031 1.00 1.42 O1- ATOM 0 H ASP A 40 4.010 -42.337 -13.085 1.00 2.41 H new ATOM 0 HA ASP A 40 4.159 -45.196 -12.598 1.00 42.21 H new ATOM 0 HB2 ASP A 40 6.490 -44.820 -13.158 1.00 54.20 H new ATOM 0 HB3 ASP A 40 6.552 -43.362 -12.188 1.00 54.20 H new ATOM 585 N ASN A 41 3.244 -44.650 -10.366 1.00 20.22 N ATOM 586 CA ASN A 41 2.613 -44.368 -9.065 1.00 43.41 C ATOM 587 C ASN A 41 1.659 -43.171 -9.120 1.00 72.45 C ATOM 588 O ASN A 41 1.115 -42.762 -8.093 1.00 25.45 O ATOM 589 CB ASN A 41 3.666 -44.146 -7.959 1.00 53.22 C ATOM 590 CG ASN A 41 4.237 -45.447 -7.415 1.00 43.00 C ATOM 591 OD1 ASN A 41 3.675 -46.046 -6.497 1.00 12.13 O ATOM 592 ND2 ASN A 41 5.362 -45.883 -7.957 1.00 51.54 N ATOM 0 H ASN A 41 3.047 -45.585 -10.723 1.00 20.22 H new ATOM 0 HA ASN A 41 2.025 -45.253 -8.821 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.478 -43.536 -8.355 1.00 53.22 H new ATOM 0 HB3 ASN A 41 3.214 -43.584 -7.142 1.00 53.22 H new ATOM 0 HD21 ASN A 41 5.793 -46.742 -7.616 1.00 51.54 H new ATOM 0 HD22 ASN A 41 5.799 -45.360 -8.716 1.00 51.54 H new ATOM 599 N ILE A 42 1.430 -42.635 -10.315 1.00 4.44 N ATOM 600 CA ILE A 42 0.574 -41.468 -10.481 1.00 53.42 C ATOM 601 C ILE A 42 -0.880 -41.816 -10.172 1.00 61.41 C ATOM 602 O ILE A 42 -1.509 -42.610 -10.881 1.00 70.51 O ATOM 603 CB ILE A 42 0.688 -40.885 -11.915 1.00 60.24 C ATOM 604 CG1 ILE A 42 2.132 -40.420 -12.189 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.302 -39.734 -12.123 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.590 -39.262 -11.324 1.00 11.11 C ATOM 0 H ILE A 42 1.827 -42.992 -11.184 1.00 4.44 H new ATOM 0 HA ILE A 42 0.912 -40.709 -9.775 1.00 53.42 H new ATOM 0 HB ILE A 42 0.435 -41.673 -12.625 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.807 -41.262 -12.036 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.215 -40.131 -13.237 1.00 24.42 H new ATOM 0 HG21 ILE A 42 -0.200 -39.345 -13.136 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.319 -40.097 -11.975 1.00 31.35 H new ATOM 0 HG23 ILE A 42 -0.092 -38.940 -11.406 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.616 -38.999 -11.582 1.00 11.11 H new ATOM 0 HD12 ILE A 42 1.941 -38.403 -11.493 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.543 -39.551 -10.274 1.00 11.11 H new ATOM 618 N LEU A 43 -1.389 -41.241 -9.087 1.00 61.41 N ATOM 619 CA LEU A 43 -2.778 -41.409 -8.695 1.00 72.33 C ATOM 620 C LEU A 43 -3.644 -40.464 -9.529 1.00 70.42 C ATOM 621 O LEU A 43 -3.452 -39.239 -9.523 1.00 24.44 O ATOM 622 CB LEU A 43 -2.956 -41.133 -7.186 1.00 53.01 C ATOM 623 CG LEU A 43 -4.035 -41.975 -6.462 1.00 15.11 C ATOM 624 CD1 LEU A 43 -4.104 -41.601 -4.981 1.00 20.34 C ATOM 625 CD2 LEU A 43 -5.409 -41.821 -7.118 1.00 60.11 C ATOM 0 H LEU A 43 -0.849 -40.647 -8.458 1.00 61.41 H new ATOM 0 HA LEU A 43 -3.088 -42.438 -8.878 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -2.000 -41.302 -6.691 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -3.200 -40.079 -7.057 1.00 53.01 H new ATOM 0 HG LEU A 43 -3.745 -43.022 -6.547 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -4.868 -42.203 -4.489 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -3.137 -41.788 -4.513 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.356 -40.545 -4.884 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -6.139 -42.427 -6.581 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -5.712 -40.775 -7.086 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -5.356 -42.151 -8.155 1.00 60.11 H new ATOM 637 N ILE A 44 -4.576 -41.045 -10.259 1.00 53.43 N ATOM 638 CA ILE A 44 -5.457 -40.297 -11.137 1.00 3.43 C ATOM 639 C ILE A 44 -6.878 -40.291 -10.587 1.00 52.32 C ATOM 640 O ILE A 44 -7.519 -41.336 -10.485 1.00 63.21 O ATOM 641 CB ILE A 44 -5.440 -40.894 -12.568 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.046 -40.702 -13.194 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.527 -40.269 -13.443 1.00 35.25 C ATOM 644 CD1 ILE A 44 -3.907 -41.263 -14.594 1.00 52.24 C ATOM 0 H ILE A 44 -4.745 -42.051 -10.261 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.096 -39.270 -11.186 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.653 -41.961 -12.503 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -3.815 -39.637 -13.218 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.304 -41.175 -12.551 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.489 -40.708 -14.440 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.505 -40.459 -13.000 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.363 -39.194 -13.514 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -2.895 -41.085 -14.959 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.103 -42.335 -14.578 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -4.622 -40.773 -15.255 1.00 52.24 H new ATOM 656 N LEU A 45 -7.345 -39.107 -10.203 1.00 65.44 N ATOM 657 CA LEU A 45 -8.721 -38.919 -9.757 1.00 1.02 C ATOM 658 C LEU A 45 -9.516 -38.292 -10.890 1.00 41.11 C ATOM 659 O LEU A 45 -9.024 -37.391 -11.561 1.00 73.21 O ATOM 660 CB LEU A 45 -8.801 -38.012 -8.515 1.00 45.12 C ATOM 661 CG LEU A 45 -8.098 -38.530 -7.245 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.578 -38.450 -7.379 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.571 -37.755 -6.017 1.00 43.24 C ATOM 0 H LEU A 45 -6.784 -38.255 -10.192 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.131 -39.891 -9.484 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.374 -37.042 -8.771 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -9.852 -37.845 -8.280 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.366 -39.579 -7.119 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -6.112 -38.823 -6.467 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.255 -39.056 -8.225 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.281 -37.414 -7.541 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -8.064 -38.134 -5.130 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.339 -36.697 -6.143 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.648 -37.879 -5.901 1.00 43.24 H new ATOM 675 N VAL A 46 -10.725 -38.771 -11.113 1.00 52.30 N ATOM 676 CA VAL A 46 -11.575 -38.246 -12.171 1.00 52.42 C ATOM 677 C VAL A 46 -12.915 -37.802 -11.598 1.00 21.23 C ATOM 678 O VAL A 46 -13.709 -38.635 -11.151 1.00 14.33 O ATOM 679 CB VAL A 46 -11.813 -39.300 -13.287 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.692 -38.728 -14.400 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.480 -39.805 -13.847 1.00 72.45 C ATOM 0 H VAL A 46 -11.145 -39.528 -10.573 1.00 52.30 H new ATOM 0 HA VAL A 46 -11.062 -37.391 -12.611 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.339 -40.147 -12.847 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -12.844 -39.485 -15.169 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.656 -38.432 -13.986 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.203 -37.858 -14.839 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.669 -40.542 -14.627 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -9.921 -38.968 -14.266 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.900 -40.264 -13.047 1.00 72.45 H new ATOM 691 N ASP A 47 -13.147 -36.492 -11.580 1.00 11.12 N ATOM 692 CA ASP A 47 -14.441 -35.954 -11.172 1.00 51.13 C ATOM 693 C ASP A 47 -15.456 -36.181 -12.277 1.00 54.22 C ATOM 694 O ASP A 47 -15.262 -35.745 -13.415 1.00 62.13 O ATOM 695 CB ASP A 47 -14.368 -34.455 -10.851 1.00 0.54 C ATOM 696 CG ASP A 47 -15.757 -33.839 -10.698 1.00 13.50 C ATOM 697 OD1 ASP A 47 -16.470 -34.194 -9.734 1.00 30.41 O ATOM 698 OD2 ASP A 47 -16.147 -33.015 -11.559 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.459 -35.786 -11.842 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.743 -36.476 -10.264 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.802 -34.307 -9.931 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -13.827 -33.939 -11.645 1.00 0.54 H new ATOM 703 N PHE A 48 -16.528 -36.873 -11.947 1.00 33.43 N ATOM 704 CA PHE A 48 -17.572 -37.150 -12.910 1.00 51.34 C ATOM 705 C PHE A 48 -18.304 -35.855 -13.258 1.00 61.52 C ATOM 706 O PHE A 48 -18.072 -35.260 -14.316 1.00 13.11 O ATOM 707 CB PHE A 48 -18.544 -38.200 -12.357 1.00 65.22 C ATOM 708 CG PHE A 48 -19.437 -38.798 -13.411 1.00 13.55 C ATOM 709 CD1 PHE A 48 -20.740 -38.353 -13.581 1.00 62.52 C ATOM 710 CD2 PHE A 48 -18.964 -39.807 -14.239 1.00 12.32 C ATOM 711 CE1 PHE A 48 -21.549 -38.904 -14.554 1.00 14.23 C ATOM 712 CE2 PHE A 48 -19.771 -40.358 -15.211 1.00 3.03 C ATOM 713 CZ PHE A 48 -21.064 -39.906 -15.369 1.00 0.02 C ATOM 0 H PHE A 48 -16.698 -37.254 -11.016 1.00 33.43 H new ATOM 0 HA PHE A 48 -17.126 -37.554 -13.819 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -17.974 -38.997 -11.879 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -19.162 -37.742 -11.584 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -21.125 -37.568 -12.946 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -17.952 -40.164 -14.120 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -22.562 -38.551 -14.677 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -19.391 -41.143 -15.848 1.00 3.03 H new ATOM 0 HZ PHE A 48 -21.697 -40.336 -16.131 1.00 0.02 H new ATOM 723 N TRP A 49 -19.140 -35.388 -12.335 1.00 62.40 N ATOM 724 CA TRP A 49 -19.935 -34.191 -12.554 1.00 3.51 C ATOM 725 C TRP A 49 -20.639 -33.791 -11.258 1.00 41.31 C ATOM 726 O TRP A 49 -20.785 -34.613 -10.352 1.00 63.54 O ATOM 727 CB TRP A 49 -20.969 -34.440 -13.663 1.00 40.21 C ATOM 728 CG TRP A 49 -21.362 -33.200 -14.402 1.00 42.53 C ATOM 729 CD1 TRP A 49 -22.360 -32.325 -14.084 1.00 65.23 C ATOM 730 CD2 TRP A 49 -20.753 -32.697 -15.594 1.00 72.13 C ATOM 731 NE1 TRP A 49 -22.403 -31.311 -15.005 1.00 33.30 N ATOM 732 CE2 TRP A 49 -21.432 -31.521 -15.944 1.00 34.35 C ATOM 733 CE3 TRP A 49 -19.700 -33.130 -16.401 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -21.096 -30.771 -17.062 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -19.366 -32.384 -17.512 1.00 74.34 C ATOM 736 CH2 TRP A 49 -20.062 -31.216 -17.835 1.00 43.42 C ATOM 0 H TRP A 49 -19.282 -35.825 -11.425 1.00 62.40 H new ATOM 0 HA TRP A 49 -19.277 -33.379 -12.865 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -20.563 -35.162 -14.371 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -21.860 -34.890 -13.224 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -23.018 -32.418 -13.233 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -23.054 -30.526 -14.992 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -19.157 -34.032 -16.160 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -21.633 -29.868 -17.312 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -18.552 -32.708 -18.144 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -19.777 -30.655 -18.712 1.00 43.42 H new ATOM 747 N ALA A 50 -21.067 -32.534 -11.179 1.00 41.34 N ATOM 748 CA ALA A 50 -21.798 -32.031 -10.018 1.00 51.22 C ATOM 749 C ALA A 50 -22.489 -30.708 -10.351 1.00 20.23 C ATOM 750 O ALA A 50 -21.855 -29.653 -10.325 1.00 33.32 O ATOM 751 CB ALA A 50 -20.858 -31.855 -8.828 1.00 54.33 C ATOM 0 H ALA A 50 -20.919 -31.840 -11.911 1.00 41.34 H new ATOM 0 HA ALA A 50 -22.561 -32.762 -9.751 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -21.420 -31.480 -7.973 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -20.409 -32.815 -8.574 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -20.073 -31.144 -9.086 1.00 54.33 H new ATOM 757 N PRO A 51 -23.786 -30.753 -10.717 1.00 55.40 N ATOM 758 CA PRO A 51 -24.568 -29.558 -11.015 1.00 12.22 C ATOM 759 C PRO A 51 -25.280 -29.010 -9.771 1.00 34.03 C ATOM 760 O PRO A 51 -24.831 -28.034 -9.165 1.00 2.20 O ATOM 761 CB PRO A 51 -25.575 -30.058 -12.070 1.00 62.34 C ATOM 762 CG PRO A 51 -25.581 -31.563 -11.972 1.00 64.33 C ATOM 763 CD PRO A 51 -24.596 -31.962 -10.893 1.00 24.12 C ATOM 0 HA PRO A 51 -23.954 -28.728 -11.364 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -26.569 -29.652 -11.881 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -25.283 -29.735 -13.069 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -26.580 -31.926 -11.730 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -25.303 -32.009 -12.927 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -25.102 -32.246 -9.970 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -23.988 -32.814 -11.198 1.00 24.12 H new ATOM 771 N TRP A 52 -26.380 -29.656 -9.380 1.00 52.31 N ATOM 772 CA TRP A 52 -27.140 -29.251 -8.203 1.00 61.04 C ATOM 773 C TRP A 52 -26.758 -30.129 -7.014 1.00 61.45 C ATOM 774 O TRP A 52 -27.326 -31.206 -6.812 1.00 73.15 O ATOM 775 CB TRP A 52 -28.650 -29.337 -8.480 1.00 34.34 C ATOM 776 CG TRP A 52 -29.092 -28.469 -9.627 1.00 2.33 C ATOM 777 CD1 TRP A 52 -29.372 -28.870 -10.902 1.00 55.55 C ATOM 778 CD2 TRP A 52 -29.295 -27.049 -9.601 1.00 2.31 C ATOM 779 NE1 TRP A 52 -29.739 -27.791 -11.668 1.00 21.24 N ATOM 780 CE2 TRP A 52 -29.700 -26.661 -10.893 1.00 34.23 C ATOM 781 CE3 TRP A 52 -29.176 -26.069 -8.610 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -29.988 -25.334 -11.217 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -29.460 -24.755 -8.932 1.00 4.30 C ATOM 784 CH2 TRP A 52 -29.861 -24.397 -10.226 1.00 60.21 C ATOM 0 H TRP A 52 -26.764 -30.466 -9.867 1.00 52.31 H new ATOM 0 HA TRP A 52 -26.900 -28.215 -7.965 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -28.915 -30.373 -8.693 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -29.195 -29.046 -7.582 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -29.313 -29.888 -11.257 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -29.999 -27.825 -12.654 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -28.867 -26.335 -7.610 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -30.300 -25.056 -12.213 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -29.371 -23.991 -8.173 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -30.074 -23.361 -10.446 1.00 60.21 H new ATOM 795 N CYS A 53 -25.762 -29.678 -6.264 1.00 50.22 N ATOM 796 CA CYS A 53 -25.248 -30.419 -5.116 1.00 20.35 C ATOM 797 C CYS A 53 -25.059 -29.494 -3.914 1.00 44.23 C ATOM 798 O CYS A 53 -25.651 -29.715 -2.856 1.00 40.01 O ATOM 799 CB CYS A 53 -23.931 -31.106 -5.502 1.00 43.12 C ATOM 800 SG CYS A 53 -23.007 -30.232 -6.810 1.00 63.30 S ATOM 0 H CYS A 53 -25.287 -28.791 -6.432 1.00 50.22 H new ATOM 0 HA CYS A 53 -25.971 -31.182 -4.827 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -23.301 -31.188 -4.617 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -24.145 -32.121 -5.836 1.00 43.12 H new ATOM 805 N GLY A 54 -24.238 -28.461 -4.077 1.00 43.40 N ATOM 806 CA GLY A 54 -24.016 -27.501 -3.003 1.00 13.40 C ATOM 807 C GLY A 54 -22.576 -27.491 -2.518 1.00 4.44 C ATOM 808 O GLY A 54 -21.768 -26.699 -3.005 1.00 31.03 O ATOM 0 H GLY A 54 -23.720 -28.269 -4.934 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -24.286 -26.504 -3.350 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -24.675 -27.737 -2.168 1.00 13.40 H new ATOM 812 N PRO A 55 -22.212 -28.382 -1.571 1.00 11.55 N ATOM 813 CA PRO A 55 -20.848 -28.454 -1.019 1.00 25.30 C ATOM 814 C PRO A 55 -19.804 -28.668 -2.110 1.00 32.04 C ATOM 815 O PRO A 55 -18.628 -28.354 -1.936 1.00 53.41 O ATOM 816 CB PRO A 55 -20.896 -29.666 -0.069 1.00 54.22 C ATOM 817 CG PRO A 55 -22.118 -30.426 -0.471 1.00 31.01 C ATOM 818 CD PRO A 55 -23.093 -29.393 -0.962 1.00 51.53 C ATOM 0 HA PRO A 55 -20.561 -27.528 -0.520 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.000 -30.279 -0.167 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -20.953 -29.349 0.972 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -21.889 -31.151 -1.252 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -22.528 -30.983 0.371 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -23.794 -29.809 -1.686 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -23.686 -28.976 -0.148 1.00 51.53 H new ATOM 826 N CYS A 56 -20.256 -29.198 -3.242 1.00 70.12 N ATOM 827 CA CYS A 56 -19.401 -29.423 -4.402 1.00 20.13 C ATOM 828 C CYS A 56 -18.656 -28.144 -4.790 1.00 71.35 C ATOM 829 O CYS A 56 -17.510 -28.195 -5.235 1.00 52.03 O ATOM 830 CB CYS A 56 -20.257 -29.921 -5.568 1.00 24.21 C ATOM 831 SG CYS A 56 -21.789 -28.962 -5.805 1.00 62.21 S ATOM 0 H CYS A 56 -21.225 -29.484 -3.381 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.654 -30.176 -4.152 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -19.668 -29.882 -6.484 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -20.514 -30.967 -5.399 1.00 24.21 H new ATOM 836 N ARG A 57 -19.307 -26.998 -4.581 1.00 42.14 N ATOM 837 CA ARG A 57 -18.713 -25.698 -4.891 1.00 30.24 C ATOM 838 C ARG A 57 -17.438 -25.494 -4.068 1.00 54.23 C ATOM 839 O ARG A 57 -16.461 -24.912 -4.535 1.00 53.21 O ATOM 840 CB ARG A 57 -19.736 -24.575 -4.620 1.00 42.45 C ATOM 841 CG ARG A 57 -19.358 -23.205 -5.192 1.00 14.45 C ATOM 842 CD ARG A 57 -18.395 -22.431 -4.296 1.00 71.53 C ATOM 843 NE ARG A 57 -17.955 -21.187 -4.925 1.00 20.02 N ATOM 844 CZ ARG A 57 -17.488 -20.127 -4.266 1.00 74.44 C ATOM 845 NH1 ARG A 57 -17.413 -20.136 -2.940 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -17.089 -19.056 -4.940 1.00 33.01 N ATOM 0 H ARG A 57 -20.250 -26.945 -4.196 1.00 42.14 H new ATOM 0 HA ARG A 57 -18.443 -25.666 -5.947 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -20.699 -24.873 -5.036 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -19.870 -24.478 -3.543 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -18.904 -23.340 -6.174 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -20.263 -22.616 -5.338 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -18.881 -22.207 -3.347 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -17.528 -23.052 -4.071 1.00 71.53 H new ATOM 0 HE ARG A 57 -18.009 -21.126 -5.942 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -17.714 -20.959 -2.418 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -17.054 -19.320 -2.444 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -17.140 -19.046 -5.959 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -16.731 -18.243 -4.439 1.00 33.01 H new ATOM 860 N SER A 58 -17.465 -25.987 -2.837 1.00 22.42 N ATOM 861 CA SER A 58 -16.305 -25.938 -1.955 1.00 70.35 C ATOM 862 C SER A 58 -15.265 -26.976 -2.396 1.00 50.02 C ATOM 863 O SER A 58 -14.044 -26.749 -2.332 1.00 63.20 O ATOM 864 CB SER A 58 -16.757 -26.217 -0.518 1.00 12.11 C ATOM 865 OG SER A 58 -17.851 -25.389 -0.149 1.00 40.31 O ATOM 0 H SER A 58 -18.286 -26.430 -2.423 1.00 22.42 H new ATOM 0 HA SER A 58 -15.848 -24.950 -2.005 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.043 -27.264 -0.422 1.00 12.11 H new ATOM 0 HB3 SER A 58 -15.925 -26.049 0.166 1.00 12.11 H new ATOM 0 HG SER A 58 -18.118 -25.591 0.772 1.00 40.31 H new ATOM 871 N LEU A 59 -15.764 -28.112 -2.867 1.00 35.33 N ATOM 872 CA LEU A 59 -14.907 -29.205 -3.300 1.00 33.30 C ATOM 873 C LEU A 59 -14.085 -28.818 -4.528 1.00 51.22 C ATOM 874 O LEU A 59 -13.048 -29.419 -4.781 1.00 44.13 O ATOM 875 CB LEU A 59 -15.731 -30.470 -3.581 1.00 34.51 C ATOM 876 CG LEU A 59 -15.977 -31.395 -2.370 1.00 64.10 C ATOM 877 CD1 LEU A 59 -14.664 -31.989 -1.872 1.00 21.22 C ATOM 878 CD2 LEU A 59 -16.692 -30.653 -1.240 1.00 63.33 C ATOM 0 H LEU A 59 -16.762 -28.299 -2.959 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.214 -29.418 -2.487 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -16.697 -30.169 -3.986 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.225 -31.045 -4.357 1.00 34.51 H new ATOM 0 HG LEU A 59 -16.624 -32.208 -2.699 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -14.859 -32.638 -1.018 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.201 -32.569 -2.670 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -13.992 -31.185 -1.571 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -16.850 -31.332 -0.402 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -16.081 -29.811 -0.914 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -17.654 -30.287 -1.597 1.00 63.33 H new ATOM 890 N GLU A 60 -14.540 -27.818 -5.284 1.00 25.40 N ATOM 891 CA GLU A 60 -13.788 -27.351 -6.450 1.00 51.24 C ATOM 892 C GLU A 60 -12.373 -26.901 -6.020 1.00 31.13 C ATOM 893 O GLU A 60 -11.381 -27.510 -6.437 1.00 60.23 O ATOM 894 CB GLU A 60 -14.545 -26.229 -7.194 1.00 44.05 C ATOM 895 CG GLU A 60 -15.930 -26.631 -7.695 1.00 51.15 C ATOM 896 CD GLU A 60 -16.684 -25.466 -8.327 1.00 40.34 C ATOM 897 OE1 GLU A 60 -17.258 -24.645 -7.577 1.00 65.12 O ATOM 898 OE2 GLU A 60 -16.706 -25.356 -9.573 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.414 -27.321 -5.114 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.683 -28.178 -7.152 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -14.647 -25.372 -6.528 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -13.945 -25.903 -8.043 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -15.830 -27.434 -8.426 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -16.512 -27.028 -6.864 1.00 51.15 H new ATOM 905 N PRO A 61 -12.241 -25.862 -5.151 1.00 40.44 N ATOM 906 CA PRO A 61 -10.932 -25.439 -4.642 1.00 20.54 C ATOM 907 C PRO A 61 -10.299 -26.496 -3.733 1.00 64.23 C ATOM 908 O PRO A 61 -9.073 -26.622 -3.692 1.00 41.33 O ATOM 909 CB PRO A 61 -11.232 -24.149 -3.862 1.00 61.44 C ATOM 910 CG PRO A 61 -12.669 -24.257 -3.492 1.00 3.54 C ATOM 911 CD PRO A 61 -13.326 -25.011 -4.617 1.00 61.33 C ATOM 0 HA PRO A 61 -10.212 -25.290 -5.447 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -10.601 -24.065 -2.977 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.045 -23.265 -4.472 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -12.791 -24.783 -2.545 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.116 -23.271 -3.368 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.165 -25.609 -4.262 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -13.716 -24.335 -5.378 1.00 61.33 H new ATOM 919 N GLN A 62 -11.128 -27.263 -3.007 1.00 1.31 N ATOM 920 CA GLN A 62 -10.600 -28.329 -2.142 1.00 64.23 C ATOM 921 C GLN A 62 -9.823 -29.366 -2.966 1.00 72.30 C ATOM 922 O GLN A 62 -8.709 -29.768 -2.601 1.00 45.13 O ATOM 923 CB GLN A 62 -11.730 -29.014 -1.361 1.00 52.44 C ATOM 924 CG GLN A 62 -12.389 -28.120 -0.316 1.00 75.21 C ATOM 925 CD GLN A 62 -13.599 -28.761 0.342 1.00 5.22 C ATOM 926 OE1 GLN A 62 -13.707 -29.980 0.434 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.512 -27.937 0.825 1.00 34.41 N ATOM 0 H GLN A 62 -12.144 -27.169 -3.000 1.00 1.31 H new ATOM 0 HA GLN A 62 -9.917 -27.869 -1.428 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.490 -29.355 -2.064 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.332 -29.901 -0.867 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.657 -27.868 0.451 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -12.692 -27.185 -0.786 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -14.390 -26.929 0.731 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -15.339 -28.309 1.292 1.00 34.41 H new ATOM 936 N LEU A 63 -10.406 -29.780 -4.090 1.00 4.32 N ATOM 937 CA LEU A 63 -9.761 -30.737 -4.979 1.00 24.11 C ATOM 938 C LEU A 63 -8.496 -30.133 -5.569 1.00 34.30 C ATOM 939 O LEU A 63 -7.474 -30.809 -5.676 1.00 14.04 O ATOM 940 CB LEU A 63 -10.712 -31.186 -6.098 1.00 72.32 C ATOM 941 CG LEU A 63 -11.878 -32.084 -5.653 1.00 45.24 C ATOM 942 CD1 LEU A 63 -12.774 -32.426 -6.842 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.357 -33.356 -4.982 1.00 74.14 C ATOM 0 H LEU A 63 -11.324 -29.466 -4.404 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.495 -31.617 -4.394 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.123 -30.299 -6.580 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -10.133 -31.719 -6.852 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.473 -31.536 -4.922 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -13.594 -33.062 -6.509 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.178 -31.508 -7.269 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.191 -32.952 -7.598 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.199 -33.977 -4.675 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -10.735 -33.910 -5.685 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -10.765 -33.089 -4.107 1.00 74.14 H new ATOM 955 N GLU A 64 -8.566 -28.854 -5.940 1.00 4.53 N ATOM 956 CA GLU A 64 -7.390 -28.145 -6.429 1.00 14.32 C ATOM 957 C GLU A 64 -6.279 -28.180 -5.386 1.00 63.35 C ATOM 958 O GLU A 64 -5.121 -28.424 -5.713 1.00 10.34 O ATOM 959 CB GLU A 64 -7.718 -26.693 -6.779 1.00 61.33 C ATOM 960 CG GLU A 64 -8.683 -26.534 -7.946 1.00 42.54 C ATOM 961 CD GLU A 64 -8.658 -25.128 -8.514 1.00 13.44 C ATOM 962 OE1 GLU A 64 -7.775 -24.846 -9.352 1.00 52.13 O ATOM 963 OE2 GLU A 64 -9.497 -24.294 -8.112 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.418 -28.294 -5.911 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.055 -28.649 -7.335 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.144 -26.207 -5.901 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -6.791 -26.170 -7.015 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -8.425 -27.247 -8.730 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -9.694 -26.774 -7.616 1.00 42.54 H new ATOM 970 N LYS A 65 -6.650 -27.946 -4.131 1.00 0.43 N ATOM 971 CA LYS A 65 -5.702 -27.980 -3.021 1.00 4.21 C ATOM 972 C LYS A 65 -4.907 -29.279 -3.032 1.00 63.22 C ATOM 973 O LYS A 65 -3.673 -29.268 -3.094 1.00 64.34 O ATOM 974 CB LYS A 65 -6.439 -27.847 -1.680 1.00 2.10 C ATOM 975 CG LYS A 65 -5.573 -28.162 -0.458 1.00 73.25 C ATOM 976 CD LYS A 65 -4.495 -27.105 -0.198 1.00 53.43 C ATOM 977 CE LYS A 65 -5.072 -25.737 0.179 1.00 74.54 C ATOM 978 NZ LYS A 65 -5.643 -25.010 -0.991 1.00 62.51 N1+ ATOM 0 H LYS A 65 -7.608 -27.729 -3.855 1.00 0.43 H new ATOM 0 HA LYS A 65 -5.016 -27.141 -3.140 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -6.823 -26.831 -1.588 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.301 -28.515 -1.683 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -6.212 -28.245 0.421 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -5.096 -29.132 -0.598 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -3.842 -27.450 0.603 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -3.877 -26.999 -1.089 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -5.848 -25.870 0.933 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -4.289 -25.129 0.632 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -5.387 -24.004 -0.933 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -5.262 -25.414 -1.870 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -6.679 -25.104 -0.987 1.00 62.51 H new ATOM 992 N LEU A 66 -5.622 -30.399 -2.982 1.00 12.42 N ATOM 993 CA LEU A 66 -4.964 -31.699 -2.930 1.00 2.43 C ATOM 994 C LEU A 66 -4.194 -31.936 -4.224 1.00 60.12 C ATOM 995 O LEU A 66 -3.111 -32.522 -4.220 1.00 51.14 O ATOM 996 CB LEU A 66 -5.978 -32.833 -2.688 1.00 45.35 C ATOM 997 CG LEU A 66 -7.014 -32.554 -1.588 1.00 74.51 C ATOM 998 CD1 LEU A 66 -7.926 -33.760 -1.393 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.326 -32.169 -0.279 1.00 41.11 C ATOM 0 H LEU A 66 -6.641 -30.433 -2.976 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.267 -31.699 -2.092 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.506 -33.033 -3.621 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.431 -33.740 -2.430 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.629 -31.711 -1.902 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.653 -33.544 -0.610 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.449 -33.975 -2.325 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.329 -34.625 -1.104 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -7.079 -31.976 0.485 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.680 -32.985 0.046 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.727 -31.271 -0.433 1.00 41.11 H new ATOM 1011 N ALA A 67 -4.753 -31.441 -5.328 1.00 43.32 N ATOM 1012 CA ALA A 67 -4.136 -31.579 -6.643 1.00 1.23 C ATOM 1013 C ALA A 67 -2.831 -30.789 -6.731 1.00 3.40 C ATOM 1014 O ALA A 67 -1.945 -31.140 -7.492 1.00 21.23 O ATOM 1015 CB ALA A 67 -5.099 -31.128 -7.738 1.00 34.31 C ATOM 0 H ALA A 67 -5.640 -30.937 -5.335 1.00 43.32 H new ATOM 0 HA ALA A 67 -3.904 -32.634 -6.790 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.621 -31.238 -8.711 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -6.000 -31.740 -7.705 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.365 -30.083 -7.581 1.00 34.31 H new ATOM 1021 N GLN A 68 -2.731 -29.715 -5.951 1.00 30.24 N ATOM 1022 CA GLN A 68 -1.534 -28.868 -5.943 1.00 34.53 C ATOM 1023 C GLN A 68 -0.478 -29.427 -4.988 1.00 14.40 C ATOM 1024 O GLN A 68 0.723 -29.368 -5.268 1.00 34.01 O ATOM 1025 CB GLN A 68 -1.899 -27.427 -5.549 1.00 73.12 C ATOM 1026 CG GLN A 68 -2.756 -26.708 -6.587 1.00 63.23 C ATOM 1027 CD GLN A 68 -3.183 -25.315 -6.150 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -3.346 -25.044 -4.957 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -3.379 -24.425 -7.111 1.00 35.24 N ATOM 0 H GLN A 68 -3.465 -29.408 -5.313 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.116 -28.861 -6.950 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.432 -27.443 -4.598 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -0.982 -26.859 -5.391 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -2.199 -26.634 -7.521 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.644 -27.306 -6.792 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -3.234 -24.687 -8.086 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -3.675 -23.478 -6.876 1.00 35.24 H new ATOM 1038 N GLN A 69 -0.937 -29.971 -3.866 1.00 23.22 N ATOM 1039 CA GLN A 69 -0.049 -30.548 -2.854 1.00 22.40 C ATOM 1040 C GLN A 69 0.556 -31.866 -3.344 1.00 3.21 C ATOM 1041 O GLN A 69 1.726 -32.162 -3.099 1.00 75.41 O ATOM 1042 CB GLN A 69 -0.828 -30.781 -1.547 1.00 11.52 C ATOM 1043 CG GLN A 69 -0.029 -31.498 -0.458 1.00 32.44 C ATOM 1044 CD GLN A 69 -0.825 -31.721 0.822 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -0.625 -32.711 1.527 1.00 65.51 O ATOM 1046 NE2 GLN A 69 -1.716 -30.794 1.148 1.00 31.30 N ATOM 0 H GLN A 69 -1.928 -30.026 -3.630 1.00 23.22 H new ATOM 0 HA GLN A 69 0.765 -29.846 -2.670 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.163 -29.818 -1.161 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.722 -31.364 -1.769 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.310 -32.461 -0.840 1.00 32.44 H new ATOM 0 HG3 GLN A 69 0.862 -30.915 -0.227 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.857 -29.986 0.541 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -2.260 -30.889 2.005 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.255 -32.640 -4.051 1.00 14.41 N ATOM 1056 CA TYR A 70 0.106 -33.993 -4.482 1.00 60.14 C ATOM 1057 C TYR A 70 0.448 -34.046 -5.977 1.00 40.42 C ATOM 1058 O TYR A 70 0.663 -35.123 -6.524 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.019 -34.975 -4.146 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.305 -35.088 -2.656 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.558 -34.774 -2.137 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.315 -35.499 -1.767 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -2.815 -34.869 -0.781 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -0.566 -35.598 -0.410 1.00 4.24 C ATOM 1065 CZ TYR A 70 -1.817 -35.282 0.077 1.00 51.45 C ATOM 1066 OH TYR A 70 -2.075 -35.374 1.429 1.00 12.52 O ATOM 0 H TYR A 70 -1.188 -32.350 -4.346 1.00 14.41 H new ATOM 0 HA TYR A 70 1.003 -34.286 -3.937 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -1.928 -34.662 -4.659 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -0.758 -35.960 -4.533 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.343 -34.451 -2.805 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.667 -35.745 -2.144 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -3.793 -34.621 -0.396 1.00 62.24 H new ATOM 0 HE2 TYR A 70 0.213 -35.921 0.264 1.00 4.24 H new ATOM 0 HH TYR A 70 -1.725 -34.579 1.884 1.00 12.52 H new ATOM 1076 N THR A 71 0.489 -32.880 -6.618 1.00 61.35 N ATOM 1077 CA THR A 71 0.578 -32.759 -8.086 1.00 51.44 C ATOM 1078 C THR A 71 1.737 -33.561 -8.700 1.00 2.11 C ATOM 1079 O THR A 71 1.695 -33.896 -9.885 1.00 63.31 O ATOM 1080 CB THR A 71 0.758 -31.268 -8.492 1.00 32.42 C ATOM 1081 OG1 THR A 71 0.723 -31.114 -9.921 1.00 20.15 O ATOM 1082 CG2 THR A 71 2.072 -30.705 -7.953 1.00 4.22 C ATOM 0 H THR A 71 0.462 -31.981 -6.137 1.00 61.35 H new ATOM 0 HA THR A 71 -0.356 -33.168 -8.472 1.00 51.44 H new ATOM 0 HB THR A 71 -0.071 -30.712 -8.054 1.00 32.42 H new ATOM 0 HG1 THR A 71 0.837 -30.168 -10.151 1.00 20.15 H new ATOM 0 HG21 THR A 71 2.171 -29.662 -8.252 1.00 4.22 H new ATOM 0 HG22 THR A 71 2.078 -30.773 -6.865 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.906 -31.279 -8.357 1.00 4.22 H new ATOM 1090 N GLU A 72 2.763 -33.869 -7.910 1.00 51.24 N ATOM 1091 CA GLU A 72 3.923 -34.605 -8.419 1.00 74.02 C ATOM 1092 C GLU A 72 3.617 -36.099 -8.562 1.00 60.10 C ATOM 1093 O GLU A 72 4.328 -36.822 -9.266 1.00 53.34 O ATOM 1094 CB GLU A 72 5.138 -34.397 -7.509 1.00 21.44 C ATOM 1095 CG GLU A 72 5.593 -32.945 -7.420 1.00 35.12 C ATOM 1096 CD GLU A 72 6.829 -32.775 -6.559 1.00 32.11 C ATOM 1097 OE1 GLU A 72 6.688 -32.623 -5.326 1.00 53.51 O ATOM 1098 OE2 GLU A 72 7.949 -32.797 -7.110 1.00 0.13 O1- ATOM 0 H GLU A 72 2.817 -33.624 -6.921 1.00 51.24 H new ATOM 0 HA GLU A 72 4.155 -34.211 -9.409 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.897 -34.755 -6.508 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.964 -35.006 -7.876 1.00 21.44 H new ATOM 0 HG2 GLU A 72 5.798 -32.570 -8.423 1.00 35.12 H new ATOM 0 HG3 GLU A 72 4.784 -32.339 -7.012 1.00 35.12 H new ATOM 1105 N ASN A 73 2.575 -36.558 -7.880 1.00 54.34 N ATOM 1106 CA ASN A 73 2.179 -37.968 -7.931 1.00 53.33 C ATOM 1107 C ASN A 73 0.664 -38.102 -8.121 1.00 50.23 C ATOM 1108 O ASN A 73 0.122 -39.201 -8.077 1.00 40.15 O ATOM 1109 CB ASN A 73 2.621 -38.683 -6.641 1.00 52.25 C ATOM 1110 CG ASN A 73 2.510 -40.199 -6.725 1.00 60.25 C ATOM 1111 OD1 ASN A 73 3.451 -40.879 -7.136 1.00 52.33 O ATOM 1112 ND2 ASN A 73 1.370 -40.740 -6.323 1.00 3.30 N ATOM 0 H ASN A 73 1.986 -35.977 -7.283 1.00 54.34 H new ATOM 0 HA ASN A 73 2.670 -38.436 -8.784 1.00 53.33 H new ATOM 0 HB2 ASN A 73 3.654 -38.413 -6.420 1.00 52.25 H new ATOM 0 HB3 ASN A 73 2.013 -38.327 -5.810 1.00 52.25 H new ATOM 0 HD21 ASN A 73 1.249 -41.753 -6.348 1.00 3.30 H new ATOM 0 HD22 ASN A 73 0.613 -40.144 -5.989 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.015 -36.981 -8.344 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.473 -36.975 -8.495 1.00 72.51 C ATOM 1121 C VAL A 74 -1.899 -36.032 -9.612 1.00 33.41 C ATOM 1122 O VAL A 74 -1.350 -34.939 -9.756 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.182 -36.551 -7.178 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.676 -36.305 -7.395 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -1.965 -37.600 -6.091 1.00 50.05 C ATOM 0 H VAL A 74 0.419 -36.061 -8.425 1.00 42.24 H new ATOM 0 HA VAL A 74 -1.770 -37.994 -8.743 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.737 -35.611 -6.852 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.137 -36.011 -6.452 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -3.811 -35.510 -8.129 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.146 -37.219 -7.759 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -2.468 -37.286 -5.177 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -2.374 -38.555 -6.421 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -0.898 -37.709 -5.898 1.00 50.05 H new ATOM 1135 N LYS A 75 -2.876 -36.464 -10.402 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.480 -35.603 -11.415 1.00 20.41 C ATOM 1137 C LYS A 75 -4.977 -35.876 -11.497 1.00 63.15 C ATOM 1138 O LYS A 75 -5.401 -37.012 -11.712 1.00 32.02 O ATOM 1139 CB LYS A 75 -2.816 -35.800 -12.790 1.00 33.32 C ATOM 1140 CG LYS A 75 -3.350 -34.860 -13.877 1.00 15.44 C ATOM 1141 CD LYS A 75 -3.275 -33.393 -13.450 1.00 32.33 C ATOM 1142 CE LYS A 75 -3.849 -32.455 -14.508 1.00 62.53 C ATOM 1143 NZ LYS A 75 -2.993 -32.377 -15.722 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.267 -37.405 -10.361 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.321 -34.565 -11.122 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -1.741 -35.649 -12.689 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -2.964 -36.831 -13.110 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -2.776 -35.001 -14.793 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -4.384 -35.119 -14.105 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -3.819 -33.260 -12.515 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -2.236 -33.126 -13.255 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -4.845 -32.796 -14.790 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -3.963 -31.458 -14.082 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 -3.488 -31.838 -16.462 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -2.099 -31.901 -15.486 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 -2.793 -33.337 -16.068 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.772 -34.830 -11.300 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.221 -34.950 -11.343 1.00 43.12 C ATOM 1159 C ILE A 76 -7.753 -34.522 -12.709 1.00 51.15 C ATOM 1160 O ILE A 76 -7.452 -33.427 -13.186 1.00 60.02 O ATOM 1161 CB ILE A 76 -7.895 -34.095 -10.239 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.347 -34.482 -8.853 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.417 -34.261 -10.285 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -7.946 -33.688 -7.709 1.00 73.14 C ATOM 0 H ILE A 76 -5.434 -33.887 -11.108 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.465 -35.998 -11.168 1.00 43.12 H new ATOM 0 HB ILE A 76 -7.661 -33.046 -10.421 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.534 -35.542 -8.683 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.266 -34.345 -8.850 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -9.873 -33.654 -9.503 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -9.789 -33.939 -11.258 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.674 -35.308 -10.127 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.509 -34.020 -6.767 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -7.736 -32.628 -7.853 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -9.024 -33.844 -7.683 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.515 -35.407 -13.339 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.187 -35.117 -14.601 1.00 12.22 C ATOM 1178 C TYR A 77 -10.693 -35.054 -14.370 1.00 34.33 C ATOM 1179 O TYR A 77 -11.176 -35.333 -13.270 1.00 1.44 O ATOM 1180 CB TYR A 77 -8.902 -36.216 -15.642 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.432 -36.470 -15.943 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.659 -37.274 -15.114 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -6.831 -35.940 -17.080 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.334 -37.538 -15.405 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.503 -36.194 -17.373 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.761 -36.998 -16.536 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.442 -37.270 -16.835 1.00 22.34 O ATOM 0 H TYR A 77 -8.685 -36.350 -12.989 1.00 3.34 H new ATOM 0 HA TYR A 77 -8.813 -34.164 -14.974 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.349 -37.147 -15.293 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.404 -35.950 -16.572 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -7.102 -37.700 -14.226 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.412 -35.319 -17.746 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.750 -38.165 -14.748 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -5.050 -35.764 -18.254 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.194 -36.813 -17.666 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.426 -34.684 -15.408 1.00 10.01 N ATOM 1198 CA LYS A 78 -12.873 -34.823 -15.422 1.00 3.41 C ATOM 1199 C LYS A 78 -13.358 -34.892 -16.864 1.00 25.15 C ATOM 1200 O LYS A 78 -12.709 -34.357 -17.767 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.576 -33.673 -14.680 1.00 53.32 C ATOM 1202 CG LYS A 78 -13.608 -32.352 -15.439 1.00 32.43 C ATOM 1203 CD LYS A 78 -14.708 -31.419 -14.924 1.00 31.14 C ATOM 1204 CE LYS A 78 -16.114 -31.991 -15.149 1.00 3.31 C ATOM 1205 NZ LYS A 78 -16.499 -33.011 -14.127 1.00 62.33 N1+ ATOM 0 H LYS A 78 -11.037 -34.281 -16.260 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.127 -35.744 -14.897 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -14.600 -33.974 -14.458 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -13.076 -33.516 -13.724 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -12.641 -31.858 -15.346 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -13.766 -32.547 -16.500 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -14.558 -31.238 -13.860 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -14.627 -30.455 -15.425 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -16.839 -31.177 -15.133 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -16.163 -32.441 -16.140 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -16.514 -33.954 -14.566 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -15.808 -33.002 -13.350 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -17.444 -32.788 -13.753 1.00 62.33 H new ATOM 1219 N ILE A 79 -14.487 -35.549 -17.078 1.00 35.25 N ATOM 1220 CA ILE A 79 -15.031 -35.732 -18.420 1.00 51.22 C ATOM 1221 C ILE A 79 -16.246 -34.836 -18.645 1.00 13.33 C ATOM 1222 O ILE A 79 -16.722 -34.172 -17.718 1.00 3.23 O ATOM 1223 CB ILE A 79 -15.444 -37.206 -18.662 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -16.505 -37.637 -17.636 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -14.222 -38.124 -18.604 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -17.010 -39.050 -17.832 1.00 50.20 C ATOM 0 H ILE A 79 -15.049 -35.968 -16.337 1.00 35.25 H new ATOM 0 HA ILE A 79 -14.244 -35.460 -19.123 1.00 51.22 H new ATOM 0 HB ILE A 79 -15.878 -37.288 -19.658 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -16.085 -37.548 -16.634 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -17.349 -36.949 -17.690 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -14.533 -39.155 -18.776 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -13.507 -37.827 -19.372 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -13.754 -38.045 -17.623 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -17.755 -39.279 -17.070 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -17.462 -39.141 -18.820 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -16.178 -39.749 -17.748 1.00 50.20 H new ATOM 1238 N ASN A 80 -16.725 -34.804 -19.888 1.00 52.33 N ATOM 1239 CA ASN A 80 -17.984 -34.139 -20.217 1.00 2.04 C ATOM 1240 C ASN A 80 -19.011 -35.178 -20.648 1.00 60.11 C ATOM 1241 O ASN A 80 -19.726 -35.717 -19.815 1.00 23.20 O ATOM 1242 CB ASN A 80 -17.796 -33.076 -21.313 1.00 23.44 C ATOM 1243 CG ASN A 80 -16.926 -31.903 -20.883 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -16.913 -31.594 -19.591 1.00 32.04 O flip ATOM 1245 ND2 ASN A 80 -16.267 -31.278 -21.709 1.00 24.31 N flip ATOM 0 H ASN A 80 -16.257 -35.233 -20.687 1.00 52.33 H new ATOM 0 HA ASN A 80 -18.342 -33.623 -19.326 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -17.350 -33.546 -22.190 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -18.774 -32.701 -21.615 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -16.300 -31.542 -22.694 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -15.686 -30.494 -21.411 1.00 24.31 H new ATOM 1252 N ILE A 81 -19.060 -35.468 -21.955 1.00 22.21 N ATOM 1253 CA ILE A 81 -19.929 -36.516 -22.506 1.00 54.13 C ATOM 1254 C ILE A 81 -21.393 -36.330 -22.057 1.00 65.23 C ATOM 1255 O ILE A 81 -22.190 -37.262 -22.094 1.00 21.40 O ATOM 1256 CB ILE A 81 -19.409 -37.934 -22.110 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -17.888 -38.021 -22.320 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -20.110 -39.027 -22.925 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -17.448 -37.735 -23.743 1.00 64.23 C ATOM 0 H ILE A 81 -18.501 -34.985 -22.658 1.00 22.21 H new ATOM 0 HA ILE A 81 -19.900 -36.429 -23.592 1.00 54.13 H new ATOM 0 HB ILE A 81 -19.636 -38.093 -21.056 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -17.397 -37.316 -21.649 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -17.548 -39.018 -22.038 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -19.728 -40.004 -22.628 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -21.184 -38.986 -22.741 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -19.917 -38.869 -23.986 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -16.363 -37.816 -23.812 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -17.909 -38.456 -24.418 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -17.755 -36.728 -24.023 1.00 64.23 H new ATOM 1271 N GLU A 82 -21.737 -35.090 -21.698 1.00 34.03 N ATOM 1272 CA GLU A 82 -23.077 -34.731 -21.208 1.00 12.21 C ATOM 1273 C GLU A 82 -24.187 -35.299 -22.104 1.00 64.13 C ATOM 1274 O GLU A 82 -25.303 -35.565 -21.651 1.00 42.22 O ATOM 1275 CB GLU A 82 -23.193 -33.198 -21.144 1.00 14.33 C ATOM 1276 CG GLU A 82 -24.547 -32.687 -20.665 1.00 12.32 C ATOM 1277 CD GLU A 82 -24.679 -31.178 -20.782 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -24.396 -30.463 -19.802 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -25.067 -30.695 -21.869 1.00 51.21 O1- ATOM 0 H GLU A 82 -21.092 -34.300 -21.738 1.00 34.03 H new ATOM 0 HA GLU A 82 -23.205 -35.164 -20.216 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -22.418 -32.815 -20.480 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -22.994 -32.789 -22.135 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -25.337 -33.163 -21.246 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -24.695 -32.981 -19.626 1.00 12.32 H new ATOM 1286 N ASP A 83 -23.867 -35.471 -23.381 1.00 63.52 N ATOM 1287 CA ASP A 83 -24.830 -35.946 -24.370 1.00 11.04 C ATOM 1288 C ASP A 83 -25.145 -37.431 -24.181 1.00 33.50 C ATOM 1289 O ASP A 83 -26.289 -37.863 -24.375 1.00 21.21 O ATOM 1290 CB ASP A 83 -24.288 -35.701 -25.785 1.00 23.45 C ATOM 1291 CG ASP A 83 -24.075 -34.222 -26.077 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -24.993 -33.584 -26.635 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -22.996 -33.687 -25.733 1.00 25.20 O1- ATOM 0 H ASP A 83 -22.938 -35.287 -23.760 1.00 63.52 H new ATOM 0 HA ASP A 83 -25.756 -35.388 -24.231 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -23.344 -36.232 -25.907 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -24.983 -36.116 -26.514 1.00 23.45 H new ATOM 1298 N ASN A 84 -24.140 -38.204 -23.784 1.00 32.21 N ATOM 1299 CA ASN A 84 -24.273 -39.655 -23.646 1.00 13.34 C ATOM 1300 C ASN A 84 -23.966 -40.090 -22.219 1.00 61.05 C ATOM 1301 O ASN A 84 -22.804 -40.252 -21.843 1.00 23.22 O ATOM 1302 CB ASN A 84 -23.339 -40.385 -24.626 1.00 61.11 C ATOM 1303 CG ASN A 84 -23.745 -40.191 -26.076 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -23.314 -39.244 -26.735 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -24.575 -41.091 -26.582 1.00 3.45 N ATOM 0 H ASN A 84 -23.214 -37.848 -23.549 1.00 32.21 H new ATOM 0 HA ASN A 84 -25.304 -39.920 -23.881 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -22.320 -40.025 -24.487 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -23.335 -41.450 -24.393 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -24.881 -41.014 -27.552 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -24.908 -41.861 -26.001 1.00 3.45 H new ATOM 1312 N GLN A 85 -25.019 -40.306 -21.437 1.00 14.34 N ATOM 1313 CA GLN A 85 -24.884 -40.684 -20.030 1.00 73.43 C ATOM 1314 C GLN A 85 -24.418 -42.136 -19.876 1.00 30.44 C ATOM 1315 O GLN A 85 -24.355 -42.666 -18.761 1.00 11.40 O ATOM 1316 CB GLN A 85 -26.217 -40.466 -19.302 1.00 62.01 C ATOM 1317 CG GLN A 85 -26.653 -39.004 -19.271 1.00 14.43 C ATOM 1318 CD GLN A 85 -27.996 -38.796 -18.600 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -28.396 -39.555 -17.720 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -28.701 -37.754 -19.010 1.00 22.33 N ATOM 0 H GLN A 85 -25.985 -40.225 -21.756 1.00 14.34 H new ATOM 0 HA GLN A 85 -24.121 -40.049 -19.581 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -26.991 -41.059 -19.789 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -26.130 -40.834 -18.280 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -25.898 -38.417 -18.748 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -26.701 -38.624 -20.292 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -28.335 -37.147 -19.743 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -29.611 -37.558 -18.593 1.00 22.33 H new ATOM 1329 N ASP A 86 -24.083 -42.769 -21.004 1.00 11.41 N ATOM 1330 CA ASP A 86 -23.573 -44.141 -21.023 1.00 44.11 C ATOM 1331 C ASP A 86 -22.515 -44.338 -19.946 1.00 63.32 C ATOM 1332 O ASP A 86 -22.486 -45.366 -19.268 1.00 33.14 O ATOM 1333 CB ASP A 86 -22.965 -44.461 -22.397 1.00 54.34 C ATOM 1334 CG ASP A 86 -23.989 -44.450 -23.518 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -24.559 -43.376 -23.804 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -24.219 -45.511 -24.134 1.00 5.23 O1- ATOM 0 H ASP A 86 -24.158 -42.344 -21.928 1.00 11.41 H new ATOM 0 HA ASP A 86 -24.407 -44.815 -20.827 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -22.183 -43.735 -22.620 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -22.488 -45.441 -22.358 1.00 54.34 H new ATOM 1341 N VAL A 87 -21.666 -43.327 -19.780 1.00 53.31 N ATOM 1342 CA VAL A 87 -20.572 -43.386 -18.820 1.00 43.31 C ATOM 1343 C VAL A 87 -21.109 -43.552 -17.398 1.00 71.01 C ATOM 1344 O VAL A 87 -20.564 -44.331 -16.606 1.00 44.23 O ATOM 1345 CB VAL A 87 -19.680 -42.122 -18.898 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -18.464 -42.262 -17.986 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -19.254 -41.841 -20.342 1.00 22.14 C ATOM 0 H VAL A 87 -21.717 -42.453 -20.303 1.00 53.31 H new ATOM 0 HA VAL A 87 -19.962 -44.253 -19.076 1.00 43.31 H new ATOM 0 HB VAL A 87 -20.266 -41.271 -18.551 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -17.851 -41.363 -18.056 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -18.795 -42.396 -16.956 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -17.876 -43.127 -18.294 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -18.629 -40.949 -20.370 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -18.691 -42.691 -20.727 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -20.139 -41.683 -20.958 1.00 22.14 H new ATOM 1357 N ALA A 88 -22.203 -42.854 -17.087 1.00 74.24 N ATOM 1358 CA ALA A 88 -22.795 -42.919 -15.756 1.00 11.24 C ATOM 1359 C ALA A 88 -23.236 -44.341 -15.450 1.00 40.14 C ATOM 1360 O ALA A 88 -22.948 -44.885 -14.379 1.00 31.23 O ATOM 1361 CB ALA A 88 -23.977 -41.961 -15.646 1.00 44.41 C ATOM 0 H ALA A 88 -22.693 -42.240 -17.738 1.00 74.24 H new ATOM 0 HA ALA A 88 -22.043 -42.619 -15.026 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -24.405 -42.024 -14.646 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -23.638 -40.942 -15.832 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -24.734 -42.231 -16.382 1.00 44.41 H new ATOM 1367 N THR A 89 -23.907 -44.943 -16.420 1.00 43.13 N ATOM 1368 CA THR A 89 -24.422 -46.293 -16.279 1.00 3.03 C ATOM 1369 C THR A 89 -23.285 -47.314 -16.199 1.00 72.34 C ATOM 1370 O THR A 89 -23.343 -48.257 -15.407 1.00 54.24 O ATOM 1371 CB THR A 89 -25.365 -46.636 -17.453 1.00 23.32 C ATOM 1372 OG1 THR A 89 -26.427 -45.670 -17.510 1.00 72.42 O ATOM 1373 CG2 THR A 89 -25.957 -48.035 -17.301 1.00 3.52 C ATOM 0 H THR A 89 -24.108 -44.511 -17.322 1.00 43.13 H new ATOM 0 HA THR A 89 -24.986 -46.340 -15.347 1.00 3.03 H new ATOM 0 HB THR A 89 -24.784 -46.611 -18.375 1.00 23.32 H new ATOM 0 HG1 THR A 89 -27.025 -45.885 -18.256 1.00 72.42 H new ATOM 0 HG21 THR A 89 -26.616 -48.245 -18.144 1.00 3.52 H new ATOM 0 HG22 THR A 89 -25.152 -48.770 -17.278 1.00 3.52 H new ATOM 0 HG23 THR A 89 -26.526 -48.090 -16.373 1.00 3.52 H new ATOM 1381 N GLN A 90 -22.243 -47.102 -17.000 1.00 45.13 N ATOM 1382 CA GLN A 90 -21.113 -48.029 -17.067 1.00 11.14 C ATOM 1383 C GLN A 90 -20.321 -48.047 -15.760 1.00 24.42 C ATOM 1384 O GLN A 90 -19.937 -49.116 -15.276 1.00 33.43 O ATOM 1385 CB GLN A 90 -20.190 -47.663 -18.242 1.00 21.33 C ATOM 1386 CG GLN A 90 -20.805 -47.940 -19.611 1.00 23.40 C ATOM 1387 CD GLN A 90 -21.088 -49.417 -19.841 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -20.381 -50.288 -19.325 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -22.128 -49.712 -20.606 1.00 52.44 N ATOM 0 H GLN A 90 -22.157 -46.293 -17.615 1.00 45.13 H new ATOM 0 HA GLN A 90 -21.515 -49.029 -17.227 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -19.933 -46.606 -18.176 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -19.260 -48.224 -18.151 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -21.733 -47.377 -19.708 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -20.131 -47.579 -20.387 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -22.689 -48.964 -21.015 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -22.368 -50.687 -20.786 1.00 52.44 H new ATOM 1398 N TYR A 91 -20.081 -46.870 -15.190 1.00 23.00 N ATOM 1399 CA TYR A 91 -19.272 -46.758 -13.974 1.00 63.04 C ATOM 1400 C TYR A 91 -20.137 -46.796 -12.714 1.00 53.41 C ATOM 1401 O TYR A 91 -19.620 -46.941 -11.604 1.00 53.15 O ATOM 1402 CB TYR A 91 -18.411 -45.488 -14.026 1.00 50.03 C ATOM 1403 CG TYR A 91 -17.320 -45.571 -15.079 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -15.998 -45.840 -14.729 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -17.615 -45.406 -16.430 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -15.012 -45.945 -15.692 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -16.633 -45.505 -17.396 1.00 43.30 C ATOM 1408 CZ TYR A 91 -15.335 -45.773 -17.023 1.00 51.11 C ATOM 1409 OH TYR A 91 -14.358 -45.886 -17.987 1.00 21.33 O ATOM 0 H TYR A 91 -20.432 -45.981 -15.547 1.00 23.00 H new ATOM 0 HA TYR A 91 -18.609 -47.622 -13.927 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -19.048 -44.629 -14.234 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -17.957 -45.320 -13.049 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -15.740 -45.969 -13.688 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -18.632 -45.197 -16.728 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -13.994 -46.161 -15.404 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -16.882 -45.373 -18.439 1.00 43.30 H new ATOM 0 HH TYR A 91 -13.725 -45.143 -17.900 1.00 21.33 H new ATOM 1419 N GLY A 92 -21.450 -46.666 -12.891 1.00 22.12 N ATOM 1420 CA GLY A 92 -22.378 -46.876 -11.790 1.00 65.55 C ATOM 1421 C GLY A 92 -22.552 -45.658 -10.903 1.00 41.00 C ATOM 1422 O GLY A 92 -22.551 -45.770 -9.674 1.00 12.12 O ATOM 0 H GLY A 92 -21.889 -46.419 -13.778 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -23.349 -47.163 -12.194 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -22.026 -47.710 -11.183 1.00 65.55 H new ATOM 1426 N VAL A 93 -22.722 -44.497 -11.518 1.00 13.51 N ATOM 1427 CA VAL A 93 -22.941 -43.263 -10.773 1.00 13.34 C ATOM 1428 C VAL A 93 -24.346 -43.258 -10.167 1.00 30.02 C ATOM 1429 O VAL A 93 -25.333 -43.517 -10.862 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.748 -42.019 -11.674 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.995 -40.726 -10.893 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -21.349 -42.023 -12.293 1.00 13.21 C ATOM 0 H VAL A 93 -22.713 -44.382 -12.531 1.00 13.51 H new ATOM 0 HA VAL A 93 -22.202 -43.218 -9.973 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.483 -42.064 -12.478 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -22.852 -39.870 -11.552 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -24.015 -40.722 -10.509 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -22.294 -40.664 -10.061 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -21.228 -41.142 -12.924 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.601 -42.008 -11.501 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -21.221 -42.922 -12.896 1.00 13.21 H new ATOM 1442 N SER A 94 -24.430 -42.995 -8.865 1.00 15.51 N ATOM 1443 CA SER A 94 -25.710 -42.985 -8.159 1.00 63.12 C ATOM 1444 C SER A 94 -25.966 -41.625 -7.502 1.00 52.01 C ATOM 1445 O SER A 94 -27.098 -41.316 -7.122 1.00 33.01 O ATOM 1446 CB SER A 94 -25.733 -44.099 -7.104 1.00 45.35 C ATOM 1447 OG SER A 94 -27.013 -44.217 -6.502 1.00 22.42 O ATOM 0 H SER A 94 -23.624 -42.785 -8.275 1.00 15.51 H new ATOM 0 HA SER A 94 -26.504 -43.162 -8.884 1.00 63.12 H new ATOM 0 HB2 SER A 94 -25.459 -45.047 -7.568 1.00 45.35 H new ATOM 0 HB3 SER A 94 -24.987 -43.891 -6.337 1.00 45.35 H new ATOM 0 HG SER A 94 -26.996 -44.936 -5.836 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.911 -40.825 -7.366 1.00 12.01 N ATOM 1454 CA ALA A 95 -25.006 -39.508 -6.740 1.00 52.44 C ATOM 1455 C ALA A 95 -23.929 -38.585 -7.296 1.00 22.24 C ATOM 1456 O ALA A 95 -23.010 -39.039 -7.982 1.00 22.21 O ATOM 1457 CB ALA A 95 -24.880 -39.630 -5.224 1.00 0.24 C ATOM 0 H ALA A 95 -23.973 -41.069 -7.684 1.00 12.01 H new ATOM 0 HA ALA A 95 -25.982 -39.079 -6.968 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -24.953 -38.641 -4.772 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -25.681 -40.263 -4.842 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -23.916 -40.073 -4.974 1.00 0.24 H new ATOM 1463 N ILE A 96 -24.041 -37.295 -6.997 1.00 40.13 N ATOM 1464 CA ILE A 96 -23.073 -36.308 -7.460 1.00 41.53 C ATOM 1465 C ILE A 96 -22.550 -35.469 -6.285 1.00 24.21 C ATOM 1466 O ILE A 96 -23.306 -35.129 -5.372 1.00 22.54 O ATOM 1467 CB ILE A 96 -23.671 -35.396 -8.583 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -25.140 -35.001 -8.293 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -23.571 -36.094 -9.942 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -25.319 -33.932 -7.234 1.00 75.51 C ATOM 0 H ILE A 96 -24.797 -36.907 -6.433 1.00 40.13 H new ATOM 0 HA ILE A 96 -22.232 -36.847 -7.896 1.00 41.53 H new ATOM 0 HB ILE A 96 -23.084 -34.478 -8.603 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -25.597 -34.653 -9.220 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -25.686 -35.892 -7.984 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -23.990 -35.449 -10.714 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -22.525 -36.299 -10.169 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -24.126 -37.031 -9.911 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -26.381 -33.724 -7.102 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -24.898 -34.280 -6.291 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -24.807 -33.022 -7.546 1.00 75.51 H new ATOM 1482 N PRO A 97 -21.236 -35.151 -6.265 1.00 41.14 N ATOM 1483 CA PRO A 97 -20.274 -35.573 -7.296 1.00 50.44 C ATOM 1484 C PRO A 97 -19.817 -37.027 -7.127 1.00 2.04 C ATOM 1485 O PRO A 97 -20.296 -37.751 -6.248 1.00 63.12 O ATOM 1486 CB PRO A 97 -19.099 -34.613 -7.081 1.00 4.13 C ATOM 1487 CG PRO A 97 -19.128 -34.312 -5.621 1.00 64.14 C ATOM 1488 CD PRO A 97 -20.585 -34.336 -5.217 1.00 35.15 C ATOM 0 HA PRO A 97 -20.706 -35.536 -8.296 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -18.154 -35.070 -7.374 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -19.212 -33.707 -7.676 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -18.556 -35.050 -5.059 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -18.682 -33.339 -5.415 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -20.718 -34.777 -4.229 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -21.004 -33.331 -5.176 1.00 35.15 H new ATOM 1496 N THR A 98 -18.887 -37.440 -7.978 1.00 51.24 N ATOM 1497 CA THR A 98 -18.345 -38.791 -7.958 1.00 74.00 C ATOM 1498 C THR A 98 -16.883 -38.764 -8.398 1.00 5.01 C ATOM 1499 O THR A 98 -16.568 -38.271 -9.480 1.00 43.51 O ATOM 1500 CB THR A 98 -19.151 -39.734 -8.888 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.465 -39.954 -8.352 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.452 -41.078 -9.072 1.00 73.42 C ATOM 0 H THR A 98 -18.487 -36.845 -8.703 1.00 51.24 H new ATOM 0 HA THR A 98 -18.419 -39.172 -6.939 1.00 74.00 H new ATOM 0 HB THR A 98 -19.223 -39.248 -9.861 1.00 21.00 H new ATOM 0 HG1 THR A 98 -21.024 -39.167 -8.523 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.048 -41.711 -9.730 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.468 -40.919 -9.514 1.00 73.42 H new ATOM 0 HG23 THR A 98 -18.340 -41.565 -8.104 1.00 73.42 H new ATOM 1510 N ILE A 99 -16.000 -39.296 -7.559 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.569 -39.302 -7.845 1.00 62.41 C ATOM 1512 C ILE A 99 -14.089 -40.720 -8.148 1.00 30.42 C ATOM 1513 O ILE A 99 -14.071 -41.579 -7.265 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.751 -38.730 -6.655 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -14.225 -37.307 -6.304 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -12.251 -38.742 -6.969 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -14.043 -36.301 -7.421 1.00 13.43 C ATOM 0 H ILE A 99 -16.252 -39.731 -6.671 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.410 -38.667 -8.717 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.919 -39.369 -5.788 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -15.280 -37.344 -6.031 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.681 -36.961 -5.426 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.699 -38.337 -6.121 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.927 -39.765 -7.158 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -12.059 -38.132 -7.852 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -14.401 -35.325 -7.094 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.986 -36.232 -7.680 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -14.610 -36.621 -8.295 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.722 -40.957 -9.402 1.00 43.14 N ATOM 1530 CA LEU A 100 -13.157 -42.236 -9.832 1.00 54.31 C ATOM 1531 C LEU A 100 -11.639 -42.208 -9.640 1.00 72.51 C ATOM 1532 O LEU A 100 -10.970 -41.314 -10.156 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.470 -42.499 -11.324 1.00 62.44 C ATOM 1534 CG LEU A 100 -14.960 -42.561 -11.729 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -15.705 -43.611 -10.918 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.635 -41.194 -11.611 1.00 53.13 C ATOM 0 H LEU A 100 -13.807 -40.270 -10.151 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.601 -43.031 -9.232 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -12.991 -41.717 -11.913 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -13.003 -43.442 -11.607 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.000 -42.854 -12.778 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -16.751 -43.633 -11.224 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -15.256 -44.589 -11.090 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -15.642 -43.364 -9.858 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.681 -41.278 -11.904 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -15.574 -40.846 -10.580 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -15.131 -40.482 -12.265 1.00 53.13 H new ATOM 1548 N MET A 101 -11.097 -43.161 -8.881 1.00 11.43 N ATOM 1549 CA MET A 101 -9.649 -43.235 -8.678 1.00 4.10 C ATOM 1550 C MET A 101 -9.041 -44.353 -9.528 1.00 43.12 C ATOM 1551 O MET A 101 -9.640 -45.419 -9.689 1.00 65.12 O ATOM 1552 CB MET A 101 -9.293 -43.479 -7.198 1.00 31.24 C ATOM 1553 CG MET A 101 -9.845 -42.446 -6.225 1.00 63.31 C ATOM 1554 SD MET A 101 -9.081 -42.555 -4.593 1.00 12.02 S ATOM 1555 CE MET A 101 -9.410 -40.909 -3.965 1.00 54.53 C ATOM 0 H MET A 101 -11.631 -43.885 -8.401 1.00 11.43 H new ATOM 0 HA MET A 101 -9.235 -42.274 -8.983 1.00 4.10 H new ATOM 0 HB2 MET A 101 -9.662 -44.463 -6.908 1.00 31.24 H new ATOM 0 HB3 MET A 101 -8.208 -43.505 -7.100 1.00 31.24 H new ATOM 0 HG2 MET A 101 -9.685 -41.447 -6.631 1.00 63.31 H new ATOM 0 HG3 MET A 101 -10.922 -42.582 -6.128 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.539 -40.547 -3.419 1.00 54.53 H new ATOM 0 HE2 MET A 101 -9.621 -40.238 -4.797 1.00 54.53 H new ATOM 0 HE3 MET A 101 -10.270 -40.940 -3.296 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.851 -44.098 -10.067 1.00 13.11 N ATOM 1566 CA PHE A 102 -7.062 -45.114 -10.769 1.00 71.35 C ATOM 1567 C PHE A 102 -5.589 -44.947 -10.404 1.00 34.00 C ATOM 1568 O PHE A 102 -5.118 -43.821 -10.245 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.251 -45.003 -12.289 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.648 -45.340 -12.758 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.612 -44.349 -12.898 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -8.996 -46.652 -13.051 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -10.891 -44.663 -13.317 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -10.274 -46.968 -13.472 1.00 73.14 C ATOM 1575 CZ PHE A 102 -11.222 -45.973 -13.606 1.00 3.41 C ATOM 0 H PHE A 102 -7.404 -43.182 -10.031 1.00 13.11 H new ATOM 0 HA PHE A 102 -7.405 -46.102 -10.462 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -7.008 -43.988 -12.602 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.542 -45.667 -12.783 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.359 -43.323 -12.677 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -8.259 -47.435 -12.949 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.632 -43.884 -13.419 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.531 -47.993 -13.696 1.00 73.14 H new ATOM 0 HZ PHE A 102 -12.221 -46.218 -13.936 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.858 -46.054 -10.261 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.448 -45.984 -9.867 1.00 2.12 C ATOM 1587 C LYS A 103 -2.562 -46.693 -10.885 1.00 22.12 C ATOM 1588 O LYS A 103 -2.500 -47.914 -10.900 1.00 72.21 O ATOM 1589 CB LYS A 103 -3.273 -46.637 -8.490 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.844 -46.666 -7.952 1.00 43.03 C ATOM 1591 CD LYS A 103 -1.390 -45.305 -7.431 1.00 41.12 C ATOM 1592 CE LYS A 103 -0.040 -45.400 -6.728 1.00 53.33 C ATOM 1593 NZ LYS A 103 -0.072 -46.347 -5.581 1.00 71.52 N1+ ATOM 0 H LYS A 103 -5.212 -46.999 -10.410 1.00 14.01 H new ATOM 0 HA LYS A 103 -3.150 -44.936 -9.824 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.901 -46.108 -7.774 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -3.643 -47.661 -8.543 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -1.776 -47.400 -7.149 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -1.168 -46.993 -8.742 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -1.321 -44.601 -8.260 1.00 41.12 H new ATOM 0 HD3 LYS A 103 -2.135 -44.911 -6.740 1.00 41.12 H new ATOM 0 HE2 LYS A 103 0.718 -45.722 -7.442 1.00 53.33 H new ATOM 0 HE3 LYS A 103 0.254 -44.412 -6.374 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 0.874 -46.406 -5.153 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 -0.752 -46.009 -4.871 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 -0.360 -47.288 -5.916 1.00 71.52 H new ATOM 1607 N ASN A 104 -1.869 -45.912 -11.711 1.00 41.43 N ATOM 1608 CA ASN A 104 -0.899 -46.438 -12.686 1.00 72.22 C ATOM 1609 C ASN A 104 -1.401 -47.725 -13.375 1.00 0.14 C ATOM 1610 O ASN A 104 -0.637 -48.669 -13.598 1.00 72.20 O ATOM 1611 CB ASN A 104 0.450 -46.684 -11.988 1.00 20.21 C ATOM 1612 CG ASN A 104 1.595 -46.928 -12.961 1.00 24.30 C ATOM 1613 OD1 ASN A 104 1.594 -46.427 -14.085 1.00 10.43 O ATOM 1614 ND2 ASN A 104 2.591 -47.683 -12.526 1.00 31.24 N ATOM 0 H ASN A 104 -1.960 -44.896 -11.728 1.00 41.43 H new ATOM 0 HA ASN A 104 -0.773 -45.692 -13.471 1.00 72.22 H new ATOM 0 HB2 ASN A 104 0.690 -45.824 -11.363 1.00 20.21 H new ATOM 0 HB3 ASN A 104 0.357 -47.544 -11.324 1.00 20.21 H new ATOM 0 HD21 ASN A 104 3.393 -47.866 -13.129 1.00 31.24 H new ATOM 0 HD22 ASN A 104 2.557 -48.081 -11.588 1.00 31.24 H new ATOM 1621 N GLY A 105 -2.690 -47.752 -13.718 1.00 32.31 N ATOM 1622 CA GLY A 105 -3.268 -48.910 -14.396 1.00 42.31 C ATOM 1623 C GLY A 105 -3.748 -49.991 -13.435 1.00 34.43 C ATOM 1624 O GLY A 105 -3.900 -51.152 -13.818 1.00 43.11 O ATOM 0 H GLY A 105 -3.347 -46.992 -13.539 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -4.106 -48.582 -15.011 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -2.525 -49.336 -15.070 1.00 42.31 H new ATOM 1628 N LYS A 106 -3.989 -49.602 -12.188 1.00 12.22 N ATOM 1629 CA LYS A 106 -4.483 -50.511 -11.152 1.00 63.04 C ATOM 1630 C LYS A 106 -5.817 -50.004 -10.611 1.00 35.11 C ATOM 1631 O LYS A 106 -6.055 -48.787 -10.575 1.00 44.30 O ATOM 1632 CB LYS A 106 -3.458 -50.623 -10.009 1.00 13.01 C ATOM 1633 CG LYS A 106 -3.982 -51.340 -8.768 1.00 24.15 C ATOM 1634 CD LYS A 106 -2.949 -51.363 -7.647 1.00 53.23 C ATOM 1635 CE LYS A 106 -3.507 -51.998 -6.381 1.00 13.04 C ATOM 1636 NZ LYS A 106 -3.993 -53.382 -6.624 1.00 41.10 N1+ ATOM 0 H LYS A 106 -3.848 -48.646 -11.863 1.00 12.22 H new ATOM 0 HA LYS A 106 -4.628 -51.499 -11.589 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -2.578 -51.151 -10.376 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -3.134 -49.621 -9.727 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -4.887 -50.845 -8.417 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -4.258 -52.362 -9.028 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -2.069 -51.916 -7.974 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -2.624 -50.345 -7.431 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -2.735 -52.014 -5.612 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -4.325 -51.388 -5.999 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -4.191 -53.845 -5.714 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -4.863 -53.350 -7.192 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -3.265 -53.921 -7.136 1.00 41.10 H new ATOM 1650 N LYS A 107 -6.677 -50.938 -10.191 1.00 44.23 N ATOM 1651 CA LYS A 107 -7.990 -50.600 -9.655 1.00 71.41 C ATOM 1652 C LYS A 107 -7.830 -49.807 -8.358 1.00 52.45 C ATOM 1653 O LYS A 107 -7.099 -50.206 -7.450 1.00 11.33 O ATOM 1654 CB LYS A 107 -8.831 -51.873 -9.422 1.00 63.10 C ATOM 1655 CG LYS A 107 -10.347 -51.666 -9.546 1.00 42.24 C ATOM 1656 CD LYS A 107 -10.901 -50.698 -8.498 1.00 71.43 C ATOM 1657 CE LYS A 107 -12.368 -50.364 -8.747 1.00 14.53 C ATOM 1658 NZ LYS A 107 -12.874 -49.351 -7.784 1.00 70.01 N1+ ATOM 0 H LYS A 107 -6.481 -51.939 -10.214 1.00 44.23 H new ATOM 0 HA LYS A 107 -8.519 -49.982 -10.381 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -8.521 -52.634 -10.138 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -8.610 -52.262 -8.428 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -10.577 -51.287 -10.542 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -10.850 -52.628 -9.447 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -10.792 -51.137 -7.506 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -10.314 -49.780 -8.506 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -12.488 -49.991 -9.764 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -12.966 -51.272 -8.668 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -13.679 -48.844 -8.204 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -13.181 -49.825 -6.911 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -12.116 -48.674 -7.562 1.00 70.01 H new ATOM 1672 N LEU A 108 -8.535 -48.693 -8.291 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.426 -47.733 -7.204 1.00 60.42 C ATOM 1674 C LEU A 108 -9.828 -47.284 -6.785 1.00 41.03 C ATOM 1675 O LEU A 108 -10.815 -47.577 -7.471 1.00 12.22 O ATOM 1676 CB LEU A 108 -7.521 -46.556 -7.603 1.00 52.31 C ATOM 1677 CG LEU A 108 -6.323 -46.271 -6.667 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -6.763 -45.566 -5.387 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -5.577 -47.565 -6.328 1.00 11.12 C ATOM 0 H LEU A 108 -9.213 -48.423 -9.004 1.00 60.01 H new ATOM 0 HA LEU A 108 -7.953 -48.202 -6.341 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -7.136 -46.744 -8.605 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -8.134 -45.656 -7.660 1.00 52.31 H new ATOM 0 HG LEU A 108 -5.646 -45.604 -7.202 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -5.894 -45.383 -4.755 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -7.235 -44.616 -5.639 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -7.475 -46.195 -4.852 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -4.739 -47.340 -5.669 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -6.256 -48.256 -5.828 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -5.205 -48.021 -7.245 1.00 11.12 H new ATOM 1691 N SER A 109 -9.910 -46.608 -5.651 1.00 60.43 N ATOM 1692 CA SER A 109 -11.162 -46.378 -4.945 1.00 11.20 C ATOM 1693 C SER A 109 -12.080 -45.393 -5.674 1.00 20.34 C ATOM 1694 O SER A 109 -11.771 -44.903 -6.760 1.00 72.41 O ATOM 1695 CB SER A 109 -10.822 -45.805 -3.562 1.00 32.42 C ATOM 1696 OG SER A 109 -10.401 -46.824 -2.664 1.00 42.25 O ATOM 0 H SER A 109 -9.099 -46.198 -5.188 1.00 60.43 H new ATOM 0 HA SER A 109 -11.695 -47.327 -4.878 1.00 11.20 H new ATOM 0 HB2 SER A 109 -10.035 -45.058 -3.660 1.00 32.42 H new ATOM 0 HB3 SER A 109 -11.695 -45.296 -3.153 1.00 32.42 H new ATOM 0 HG SER A 109 -10.031 -46.414 -1.854 1.00 42.25 H new ATOM 1702 N GLN A 110 -13.241 -45.156 -5.079 1.00 61.23 N ATOM 1703 CA GLN A 110 -14.232 -44.264 -5.647 1.00 74.54 C ATOM 1704 C GLN A 110 -15.013 -43.599 -4.549 1.00 60.21 C ATOM 1705 O GLN A 110 -15.475 -44.245 -3.607 1.00 10.33 O ATOM 1706 CB GLN A 110 -15.164 -45.033 -6.591 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.109 -44.147 -7.390 1.00 71.21 C ATOM 1708 CD GLN A 110 -17.090 -44.943 -8.232 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -18.216 -44.335 -8.555 1.00 25.31 O flip ATOM 1710 NE2 GLN A 110 -16.818 -46.076 -8.623 1.00 4.42 N flip ATOM 0 H GLN A 110 -13.518 -45.577 -4.192 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.725 -43.493 -6.227 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.559 -45.618 -7.284 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.753 -45.740 -6.006 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.663 -43.504 -6.706 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -15.526 -43.494 -8.039 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -15.937 -46.512 -8.351 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -17.474 -46.581 -9.220 1.00 4.42 H new ATOM 1719 N VAL A 111 -15.138 -42.299 -4.679 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.720 -41.478 -3.653 1.00 60.35 C ATOM 1721 C VAL A 111 -17.072 -40.943 -4.117 1.00 22.32 C ATOM 1722 O VAL A 111 -17.149 -40.174 -5.078 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.772 -40.310 -3.305 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -15.215 -39.655 -2.020 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -13.319 -40.786 -3.197 1.00 44.03 C ATOM 0 H VAL A 111 -14.836 -41.782 -5.505 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.870 -42.083 -2.759 1.00 60.35 H new ATOM 0 HB VAL A 111 -14.819 -39.578 -4.111 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -14.542 -38.832 -1.780 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -16.229 -39.272 -2.137 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -15.195 -40.387 -1.213 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -12.676 -39.941 -2.951 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -13.241 -41.541 -2.415 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -13.005 -41.215 -4.148 1.00 44.03 H new ATOM 1735 N ILE A 112 -18.135 -41.384 -3.451 1.00 51.33 N ATOM 1736 CA ILE A 112 -19.491 -40.965 -3.788 1.00 62.14 C ATOM 1737 C ILE A 112 -19.933 -39.835 -2.862 1.00 15.21 C ATOM 1738 O ILE A 112 -19.972 -40.004 -1.639 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.496 -42.142 -3.681 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -20.055 -43.316 -4.573 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.911 -41.686 -4.049 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -19.998 -42.981 -6.052 1.00 61.34 C ATOM 0 H ILE A 112 -18.082 -42.037 -2.669 1.00 51.33 H new ATOM 0 HA ILE A 112 -19.482 -40.617 -4.821 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.508 -42.484 -2.646 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -19.071 -43.655 -4.250 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -20.743 -44.149 -4.426 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.598 -42.528 -3.967 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -22.226 -40.893 -3.370 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -21.918 -41.311 -5.073 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -19.679 -43.860 -6.612 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.986 -42.672 -6.393 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -19.288 -42.170 -6.214 1.00 61.34 H new ATOM 1754 N GLY A 113 -20.263 -38.692 -3.445 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.659 -37.535 -2.664 1.00 14.45 C ATOM 1756 C GLY A 113 -19.495 -36.594 -2.429 1.00 3.03 C ATOM 1757 O GLY A 113 -18.410 -36.790 -2.980 1.00 60.32 O ATOM 0 H GLY A 113 -20.264 -38.543 -4.454 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.458 -37.003 -3.180 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -21.061 -37.863 -1.706 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.712 -35.574 -1.609 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.693 -34.568 -1.342 1.00 24.52 C ATOM 1763 C ALA A 114 -18.137 -34.712 0.074 1.00 0.33 C ATOM 1764 O ALA A 114 -18.757 -34.261 1.043 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.272 -33.173 -1.554 1.00 15.11 C ATOM 0 H ALA A 114 -20.591 -35.421 -1.114 1.00 12.52 H new ATOM 0 HA ALA A 114 -17.868 -34.718 -2.039 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.504 -32.426 -1.352 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -19.614 -33.074 -2.584 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.113 -33.021 -0.877 1.00 15.11 H new ATOM 1771 N ASP A 115 -16.983 -35.368 0.197 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.285 -35.461 1.479 1.00 1.22 C ATOM 1773 C ASP A 115 -14.776 -35.371 1.273 1.00 22.24 C ATOM 1774 O ASP A 115 -14.126 -36.347 0.874 1.00 33.32 O ATOM 1775 CB ASP A 115 -16.634 -36.753 2.229 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.145 -36.705 3.670 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -15.224 -37.465 4.027 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -16.662 -35.872 4.446 1.00 30.13 O1- ATOM 0 H ASP A 115 -16.513 -35.842 -0.574 1.00 64.24 H new ATOM 0 HA ASP A 115 -16.617 -34.621 2.089 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -17.713 -36.905 2.214 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.185 -37.605 1.718 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.222 -34.195 1.547 1.00 10.14 N ATOM 1784 CA ILE A 116 -12.809 -33.937 1.310 1.00 23.23 C ATOM 1785 C ILE A 116 -11.940 -34.792 2.226 1.00 50.32 C ATOM 1786 O ILE A 116 -10.835 -35.182 1.855 1.00 24.53 O ATOM 1787 CB ILE A 116 -12.463 -32.436 1.493 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.056 -32.136 0.952 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -12.588 -32.007 2.957 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -10.919 -32.386 -0.537 1.00 62.15 C ATOM 0 H ILE A 116 -14.734 -33.403 1.935 1.00 10.14 H new ATOM 0 HA ILE A 116 -12.600 -34.207 0.275 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.184 -31.855 0.918 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -10.808 -31.096 1.163 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -10.331 -32.751 1.485 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -12.338 -30.950 3.049 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -13.611 -32.169 3.298 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -11.904 -32.596 3.568 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -9.902 -32.154 -0.853 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.136 -33.432 -0.752 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -11.620 -31.751 -1.079 1.00 62.15 H new ATOM 1802 N SER A 117 -12.457 -35.095 3.414 1.00 64.32 N ATOM 1803 CA SER A 117 -11.762 -35.963 4.357 1.00 24.52 C ATOM 1804 C SER A 117 -11.505 -37.327 3.720 1.00 72.20 C ATOM 1805 O SER A 117 -10.375 -37.823 3.707 1.00 63.13 O ATOM 1806 CB SER A 117 -12.582 -36.113 5.645 1.00 2.24 C ATOM 1807 OG SER A 117 -12.007 -37.070 6.519 1.00 54.32 O ATOM 0 H SER A 117 -13.358 -34.750 3.746 1.00 64.32 H new ATOM 0 HA SER A 117 -10.803 -35.513 4.612 1.00 24.52 H new ATOM 0 HB2 SER A 117 -12.647 -35.150 6.151 1.00 2.24 H new ATOM 0 HB3 SER A 117 -13.600 -36.411 5.396 1.00 2.24 H new ATOM 0 HG SER A 117 -12.552 -37.141 7.330 1.00 54.32 H new ATOM 1813 N LYS A 118 -12.560 -37.909 3.163 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.475 -39.210 2.513 1.00 23.25 C ATOM 1815 C LYS A 118 -11.556 -39.141 1.296 1.00 51.14 C ATOM 1816 O LYS A 118 -10.684 -39.994 1.118 1.00 44.54 O ATOM 1817 CB LYS A 118 -13.875 -39.688 2.102 1.00 55.14 C ATOM 1818 CG LYS A 118 -13.902 -41.071 1.455 1.00 21.34 C ATOM 1819 CD LYS A 118 -13.245 -42.126 2.346 1.00 32.24 C ATOM 1820 CE LYS A 118 -13.252 -43.501 1.695 1.00 45.55 C ATOM 1821 NZ LYS A 118 -12.487 -44.493 2.496 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.492 -37.496 3.149 1.00 24.02 H new ATOM 0 HA LYS A 118 -12.055 -39.926 3.219 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.516 -39.700 2.984 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.303 -38.966 1.407 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -14.934 -41.358 1.252 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.387 -41.034 0.495 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -12.218 -41.831 2.561 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -13.770 -42.173 3.300 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -14.280 -43.843 1.578 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -12.823 -43.432 0.695 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -12.828 -45.451 2.279 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -11.476 -44.424 2.261 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -12.621 -44.299 3.509 1.00 20.35 H new ATOM 1835 N ILE A 119 -11.748 -38.114 0.469 1.00 22.14 N ATOM 1836 CA ILE A 119 -10.938 -37.938 -0.736 1.00 2.21 C ATOM 1837 C ILE A 119 -9.444 -37.863 -0.394 1.00 62.22 C ATOM 1838 O ILE A 119 -8.642 -38.664 -0.890 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.355 -36.664 -1.520 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -12.827 -36.764 -1.956 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.446 -36.450 -2.732 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.351 -35.526 -2.655 1.00 40.14 C ATOM 0 H ILE A 119 -12.455 -37.393 0.611 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.114 -38.809 -1.367 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.246 -35.803 -0.861 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -12.940 -37.619 -2.622 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.442 -36.960 -1.078 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -10.757 -35.552 -3.266 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.415 -36.335 -2.398 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -10.518 -37.311 -3.397 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.395 -35.678 -2.930 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.273 -34.669 -1.985 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -12.763 -35.339 -3.553 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.080 -36.921 0.477 1.00 71.14 N ATOM 1855 CA ILE A 120 -7.680 -36.710 0.841 1.00 1.52 C ATOM 1856 C ILE A 120 -7.122 -37.965 1.510 1.00 44.53 C ATOM 1857 O ILE A 120 -5.980 -38.360 1.253 1.00 2.32 O ATOM 1858 CB ILE A 120 -7.505 -35.457 1.763 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.023 -35.013 1.865 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.085 -35.707 3.154 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.166 -35.828 2.817 1.00 43.13 C ATOM 0 H ILE A 120 -9.735 -36.293 0.943 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.116 -36.516 -0.071 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.062 -34.644 1.298 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -5.578 -35.059 0.871 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -5.994 -33.970 2.179 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -7.948 -34.819 3.770 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.149 -35.930 3.070 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -7.573 -36.551 3.615 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.148 -35.437 2.816 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -5.578 -35.763 3.824 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.155 -36.870 2.496 1.00 43.13 H new ATOM 1873 N SER A 121 -7.946 -38.605 2.339 1.00 33.33 N ATOM 1874 CA SER A 121 -7.540 -39.812 3.042 1.00 32.12 C ATOM 1875 C SER A 121 -7.098 -40.876 2.042 1.00 12.31 C ATOM 1876 O SER A 121 -6.000 -41.426 2.153 1.00 23.30 O ATOM 1877 CB SER A 121 -8.678 -40.344 3.925 1.00 43.12 C ATOM 1878 OG SER A 121 -8.230 -41.412 4.748 1.00 42.33 O ATOM 0 H SER A 121 -8.900 -38.303 2.538 1.00 33.33 H new ATOM 0 HA SER A 121 -6.699 -39.566 3.691 1.00 32.12 H new ATOM 0 HB2 SER A 121 -9.066 -39.538 4.548 1.00 43.12 H new ATOM 0 HB3 SER A 121 -9.501 -40.685 3.297 1.00 43.12 H new ATOM 0 HG SER A 121 -8.973 -41.732 5.302 1.00 42.33 H new ATOM 1884 N GLU A 122 -7.943 -41.137 1.048 1.00 14.44 N ATOM 1885 CA GLU A 122 -7.628 -42.126 0.027 1.00 72.13 C ATOM 1886 C GLU A 122 -6.390 -41.708 -0.770 1.00 73.04 C ATOM 1887 O GLU A 122 -5.540 -42.541 -1.077 1.00 20.21 O ATOM 1888 CB GLU A 122 -8.821 -42.336 -0.912 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.034 -42.973 -0.244 1.00 71.24 C ATOM 1890 CD GLU A 122 -9.728 -44.342 0.349 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -9.831 -44.497 1.586 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -9.386 -45.267 -0.421 1.00 70.43 O1- ATOM 0 H GLU A 122 -8.846 -40.679 0.930 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.413 -43.070 0.527 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.114 -41.373 -1.331 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -8.507 -42.964 -1.746 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.398 -42.313 0.544 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -10.837 -43.070 -0.975 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.277 -40.418 -1.092 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.132 -39.931 -1.866 1.00 32.41 C ATOM 1901 C ILE A 123 -3.811 -40.271 -1.166 1.00 5.24 C ATOM 1902 O ILE A 123 -2.963 -40.969 -1.728 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.190 -38.397 -2.109 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.400 -38.016 -2.979 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -3.899 -37.908 -2.764 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -6.650 -36.528 -3.057 1.00 15.35 C ATOM 0 H ILE A 123 -6.954 -39.700 -0.834 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.182 -40.435 -2.831 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.301 -37.912 -1.139 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.247 -38.403 -3.987 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.290 -38.504 -2.581 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -3.958 -36.832 -2.926 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.054 -38.131 -2.113 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -3.763 -38.412 -3.721 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -7.519 -36.338 -3.687 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -6.835 -36.137 -2.056 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -5.777 -36.034 -3.483 1.00 15.35 H new ATOM 1918 N ASN A 124 -3.661 -39.828 0.082 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.398 -40.016 0.799 1.00 42.31 C ATOM 1920 C ASN A 124 -2.191 -41.490 1.124 1.00 20.40 C ATOM 1921 O ASN A 124 -1.074 -41.997 1.067 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.335 -39.163 2.083 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.175 -39.715 3.226 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -4.416 -39.270 3.320 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -2.705 -40.526 4.027 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.386 -39.344 0.612 1.00 61.24 H new ATOM 0 HA ASN A 124 -1.593 -39.680 0.146 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.298 -39.089 2.409 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -2.670 -38.151 1.853 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -1.742 -40.847 3.922 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -3.279 -40.876 4.794 1.00 15.41 H new ATOM 1932 N ASN A 125 -3.286 -42.178 1.431 1.00 31.14 N ATOM 1933 CA ASN A 125 -3.242 -43.600 1.762 1.00 72.20 C ATOM 1934 C ASN A 125 -2.791 -44.427 0.560 1.00 71.23 C ATOM 1935 O ASN A 125 -2.064 -45.410 0.703 1.00 34.51 O ATOM 1936 CB ASN A 125 -4.627 -44.074 2.223 1.00 65.54 C ATOM 1937 CG ASN A 125 -4.656 -45.542 2.611 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -4.426 -45.893 3.770 1.00 32.44 O ATOM 1939 ND2 ASN A 125 -4.954 -46.409 1.654 1.00 44.23 N ATOM 0 H ASN A 125 -4.221 -41.771 1.458 1.00 31.14 H new ATOM 0 HA ASN A 125 -2.522 -43.739 2.568 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -4.945 -43.473 3.075 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -5.348 -43.901 1.424 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -4.999 -47.406 1.865 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -5.138 -46.079 0.706 1.00 44.23 H new ATOM 1946 N ASN A 126 -3.219 -44.012 -0.628 1.00 24.21 N ATOM 1947 CA ASN A 126 -2.963 -44.776 -1.849 1.00 34.20 C ATOM 1948 C ASN A 126 -1.722 -44.263 -2.583 1.00 61.32 C ATOM 1949 O ASN A 126 -1.273 -44.870 -3.557 1.00 63.21 O ATOM 1950 CB ASN A 126 -4.205 -44.749 -2.748 1.00 71.20 C ATOM 1951 CG ASN A 126 -5.415 -45.394 -2.073 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -5.279 -46.338 -1.289 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -6.602 -44.876 -2.352 1.00 41.12 N ATOM 0 H ASN A 126 -3.745 -43.150 -0.774 1.00 24.21 H new ATOM 0 HA ASN A 126 -2.757 -45.811 -1.576 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -4.442 -43.717 -3.008 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -3.989 -45.271 -3.680 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -7.441 -45.257 -1.914 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -6.677 -44.096 -3.005 1.00 41.12 H new ATOM 1960 N ILE A 127 -1.188 -43.122 -2.135 1.00 24.11 N ATOM 1961 CA ILE A 127 0.157 -42.695 -2.540 1.00 45.52 C ATOM 1962 C ILE A 127 1.204 -43.390 -1.670 1.00 24.03 C ATOM 1963 O ILE A 127 2.225 -43.875 -2.161 1.00 24.55 O ATOM 1964 CB ILE A 127 0.355 -41.158 -2.410 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.499 -40.400 -3.433 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.831 -40.778 -2.569 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.423 -38.898 -3.271 1.00 54.51 C ATOM 0 H ILE A 127 -1.661 -42.482 -1.497 1.00 24.11 H new ATOM 0 HA ILE A 127 0.274 -42.969 -3.588 1.00 45.52 H new ATOM 0 HB ILE A 127 0.029 -40.870 -1.410 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.175 -40.668 -4.438 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -1.537 -40.718 -3.338 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.941 -39.698 -2.474 1.00 51.22 H new ATOM 0 HG22 ILE A 127 2.419 -41.272 -1.796 1.00 51.22 H new ATOM 0 HG23 ILE A 127 2.184 -41.093 -3.551 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.049 -38.419 -4.024 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -0.775 -38.621 -2.277 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.609 -38.570 -3.395 1.00 54.51 H new ATOM 1979 N ASN A 128 0.935 -43.424 -0.366 1.00 64.33 N ATOM 1980 CA ASN A 128 1.859 -44.002 0.610 1.00 71.43 C ATOM 1981 C ASN A 128 1.759 -45.527 0.601 1.00 23.15 C ATOM 1982 O ASN A 128 0.900 -46.078 1.319 1.00 65.33 O ATOM 1983 CB ASN A 128 1.564 -43.462 2.023 1.00 24.12 C ATOM 1984 CG ASN A 128 1.861 -41.976 2.194 1.00 23.51 C ATOM 1985 OD1 ASN A 128 1.759 -41.203 1.123 1.00 5.34 O flip ATOM 1986 ND2 ASN A 128 2.177 -41.525 3.293 1.00 22.35 N flip ATOM 1987 OXT ASN A 128 2.540 -46.172 -0.131 1.00 0.00 O1- ATOM 0 H ASN A 128 0.076 -43.054 0.042 1.00 64.33 H new ATOM 0 HA ASN A 128 2.873 -43.714 0.332 1.00 71.43 H new ATOM 0 HB2 ASN A 128 0.515 -43.642 2.258 1.00 24.12 H new ATOM 0 HB3 ASN A 128 2.153 -44.025 2.746 1.00 24.12 H new ATOM 0 HD21 ASN A 128 2.247 -42.147 4.099 1.00 22.35 H new ATOM 0 HD22 ASN A 128 2.369 -40.529 3.399 1.00 22.35 H new TER 1994 ASN A 128