USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 810 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 94 ASN : amide:sc= -5.07 K(o=-6.3,f=-1.7) USER MOD Set 1.2: A 97 THR OG1 : rot -174:sc= -1.19 USER MOD Set 2.1: A 24 SER OG : rot -130:sc= 2.17 USER MOD Set 2.2: A 28 TYR OH : rot -17:sc= 2.16 USER MOD Set 2.3: A 81 ASN : amide:sc= -2.33! C(o=6.5!,f=-2.5!) USER MOD Set 2.4: A 83 TYR OH : rot -165:sc= 2.28 USER MOD Set 2.5: A 89 TYR OH : rot -178:sc= 0.109 USER MOD Set 2.6: A 92 THR OG1 : rot -46:sc= 2.09 USER MOD Set 3.1: A 20 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.74) USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 ASN : amide:sc= -16! C(o=-19!,f=-21!) USER MOD Set 4.2: A 72 ASN : amide:sc= -3.11 K(o=-19,f=-21!) USER MOD Set 5.1: A 9 ASN : amide:sc= -0.969 K(o=-0.83,f=1.3) USER MOD Set 5.2: A 66 TYR OH : rot 16:sc= 0.144 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0684 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.12 (180deg=-0.565) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 140:sc= 0.574 USER MOD Single : A 10 MET CE :methyl 179:sc= -0.317 (180deg=-0.319) USER MOD Single : A 13 SER OG : rot 180:sc= -0.197 USER MOD Single : A 14 SER OG : rot 178:sc= 1.3 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.84) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -5.2! K(o=-5.2!,f=-0.41) USER MOD Single : A 38 ASN : amide:sc= 0.909 K(o=0.91,f=-4.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 50 GLN : amide:sc= -1.74 K(o=-1.7,f=-0.0057) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 73:sc= -0.099 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.62) USER MOD Single : A 77 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 66:sc= -0.829! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -155:sc= -4.11! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 158:sc= 1.22 USER MOD Single : A 103 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.1!) USER MOD Single : A 107 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 113 TYR OH : rot 174:sc= -0.698! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.200 6.217 2.307 1.00 9.37 N ATOM 2 CA GLY A 1 -22.680 4.933 2.836 1.00 8.59 C ATOM 3 C GLY A 1 -21.218 5.032 3.203 1.00 7.91 C ATOM 4 O GLY A 1 -20.713 6.126 3.454 1.00 8.10 O ATOM 0 H1 GLY A 1 -24.060 6.484 2.827 1.00 9.37 H new ATOM 0 H2 GLY A 1 -22.480 6.958 2.426 1.00 9.37 H new ATOM 0 H3 GLY A 1 -23.425 6.111 1.297 1.00 9.37 H new ATOM 0 HA2 GLY A 1 -23.257 4.641 3.714 1.00 8.59 H new ATOM 0 HA3 GLY A 1 -22.816 4.150 2.090 1.00 8.59 H new ATOM 10 N HIS A 2 -20.531 3.896 3.244 1.00 7.42 N ATOM 11 CA HIS A 2 -19.099 3.889 3.512 1.00 7.06 C ATOM 12 C HIS A 2 -18.337 4.302 2.262 1.00 6.29 C ATOM 13 O HIS A 2 -17.592 5.280 2.276 1.00 6.27 O ATOM 14 CB HIS A 2 -18.621 2.512 3.984 1.00 7.61 C ATOM 15 CG HIS A 2 -19.049 2.157 5.374 1.00 7.99 C ATOM 16 ND1 HIS A 2 -18.315 2.483 6.495 1.00 8.53 N ATOM 17 CD2 HIS A 2 -20.135 1.489 5.823 1.00 8.23 C ATOM 18 CE1 HIS A 2 -18.933 2.030 7.570 1.00 9.04 C ATOM 19 NE2 HIS A 2 -20.039 1.422 7.190 1.00 8.89 N ATOM 0 H HIS A 2 -20.940 2.973 3.096 1.00 7.42 H new ATOM 0 HA HIS A 2 -18.904 4.603 4.312 1.00 7.06 H new ATOM 0 HB2 HIS A 2 -18.996 1.754 3.296 1.00 7.61 H new ATOM 0 HB3 HIS A 2 -17.533 2.480 3.932 1.00 7.61 H new ATOM 0 HD2 HIS A 2 -20.932 1.083 5.217 1.00 8.23 H new ATOM 0 HE1 HIS A 2 -18.590 2.139 8.588 1.00 9.04 H new ATOM 0 HE2 HIS A 2 -20.713 0.975 7.811 1.00 8.89 H new ATOM 28 N MET A 3 -18.541 3.562 1.179 1.00 6.00 N ATOM 29 CA MET A 3 -17.901 3.880 -0.091 1.00 5.58 C ATOM 30 C MET A 3 -18.489 5.175 -0.635 1.00 4.91 C ATOM 31 O MET A 3 -19.666 5.228 -1.001 1.00 5.15 O ATOM 32 CB MET A 3 -18.095 2.725 -1.084 1.00 6.12 C ATOM 33 CG MET A 3 -17.213 2.804 -2.326 1.00 6.74 C ATOM 34 SD MET A 3 -17.749 4.047 -3.523 1.00 7.54 S ATOM 35 CE MET A 3 -19.320 3.370 -4.049 1.00 8.13 C ATOM 0 H MET A 3 -19.143 2.739 1.155 1.00 6.00 H new ATOM 0 HA MET A 3 -16.830 4.015 0.058 1.00 5.58 H new ATOM 0 HB2 MET A 3 -17.895 1.784 -0.571 1.00 6.12 H new ATOM 0 HB3 MET A 3 -19.139 2.702 -1.396 1.00 6.12 H new ATOM 0 HG2 MET A 3 -16.190 3.025 -2.020 1.00 6.74 H new ATOM 0 HG3 MET A 3 -17.197 1.828 -2.812 1.00 6.74 H new ATOM 0 HE1 MET A 3 -19.601 3.805 -5.008 1.00 8.13 H new ATOM 0 HE2 MET A 3 -19.234 2.288 -4.152 1.00 8.13 H new ATOM 0 HE3 MET A 3 -20.084 3.604 -3.307 1.00 8.13 H new ATOM 45 N SER A 4 -17.678 6.221 -0.656 1.00 4.47 N ATOM 46 CA SER A 4 -18.146 7.536 -1.060 1.00 4.12 C ATOM 47 C SER A 4 -17.754 7.843 -2.507 1.00 2.93 C ATOM 48 O SER A 4 -18.535 7.599 -3.429 1.00 3.19 O ATOM 49 CB SER A 4 -17.593 8.598 -0.108 1.00 5.00 C ATOM 50 OG SER A 4 -17.831 8.236 1.245 1.00 5.76 O ATOM 0 H SER A 4 -16.692 6.184 -0.398 1.00 4.47 H new ATOM 0 HA SER A 4 -19.235 7.548 -1.008 1.00 4.12 H new ATOM 0 HB2 SER A 4 -16.523 8.719 -0.274 1.00 5.00 H new ATOM 0 HB3 SER A 4 -18.059 9.560 -0.319 1.00 5.00 H new ATOM 0 HG SER A 4 -17.468 8.927 1.837 1.00 5.76 H new ATOM 56 N ARG A 5 -16.541 8.359 -2.699 1.00 2.17 N ATOM 57 CA ARG A 5 -16.025 8.651 -4.031 1.00 1.45 C ATOM 58 C ARG A 5 -14.569 9.097 -3.938 1.00 1.37 C ATOM 59 O ARG A 5 -14.283 10.199 -3.471 1.00 2.25 O ATOM 60 CB ARG A 5 -16.857 9.742 -4.719 1.00 2.10 C ATOM 61 CG ARG A 5 -17.160 9.452 -6.184 1.00 2.57 C ATOM 62 CD ARG A 5 -15.893 9.253 -7.003 1.00 3.37 C ATOM 63 NE ARG A 5 -16.190 8.877 -8.385 1.00 3.96 N ATOM 64 CZ ARG A 5 -15.262 8.589 -9.297 1.00 4.93 C ATOM 65 NH1 ARG A 5 -13.977 8.586 -8.962 1.00 5.41 N1+ ATOM 66 NH2 ARG A 5 -15.620 8.290 -10.540 1.00 5.73 N ATOM 0 H ARG A 5 -15.895 8.584 -1.942 1.00 2.17 H new ATOM 0 HA ARG A 5 -16.091 7.741 -4.627 1.00 1.45 H new ATOM 0 HB2 ARG A 5 -17.797 9.863 -4.180 1.00 2.10 H new ATOM 0 HB3 ARG A 5 -16.325 10.691 -4.649 1.00 2.10 H new ATOM 0 HG2 ARG A 5 -17.781 8.559 -6.255 1.00 2.57 H new ATOM 0 HG3 ARG A 5 -17.737 10.276 -6.604 1.00 2.57 H new ATOM 0 HD2 ARG A 5 -15.307 10.172 -6.995 1.00 3.37 H new ATOM 0 HD3 ARG A 5 -15.279 8.480 -6.540 1.00 3.37 H new ATOM 0 HE ARG A 5 -17.169 8.832 -8.668 1.00 3.96 H new ATOM 0 HH11 ARG A 5 -13.699 8.804 -8.005 1.00 5.41 H new ATOM 0 HH12 ARG A 5 -13.268 8.365 -9.661 1.00 5.41 H new ATOM 0 HH21 ARG A 5 -16.607 8.280 -10.798 1.00 5.73 H new ATOM 0 HH22 ARG A 5 -14.908 8.070 -11.237 1.00 5.73 H new ATOM 80 N SER A 6 -13.664 8.225 -4.372 1.00 0.64 N ATOM 81 CA SER A 6 -12.229 8.508 -4.363 1.00 0.52 C ATOM 82 C SER A 6 -11.751 8.863 -2.958 1.00 0.51 C ATOM 83 O SER A 6 -11.576 10.032 -2.606 1.00 0.73 O ATOM 84 CB SER A 6 -11.900 9.629 -5.355 1.00 0.63 C ATOM 85 OG SER A 6 -12.382 9.324 -6.657 1.00 1.52 O ATOM 0 H SER A 6 -13.902 7.304 -4.739 1.00 0.64 H new ATOM 0 HA SER A 6 -11.700 7.608 -4.675 1.00 0.52 H new ATOM 0 HB2 SER A 6 -12.343 10.564 -5.011 1.00 0.63 H new ATOM 0 HB3 SER A 6 -10.821 9.781 -5.391 1.00 0.63 H new ATOM 0 HG SER A 6 -12.753 10.133 -7.066 1.00 1.52 H new ATOM 91 N GLU A 7 -11.522 7.833 -2.177 1.00 0.54 N ATOM 92 CA GLU A 7 -11.243 7.979 -0.764 1.00 0.53 C ATOM 93 C GLU A 7 -9.763 7.854 -0.419 1.00 0.44 C ATOM 94 O GLU A 7 -9.174 8.811 0.087 1.00 0.55 O ATOM 95 CB GLU A 7 -12.055 6.941 -0.021 1.00 0.56 C ATOM 96 CG GLU A 7 -13.518 7.260 -0.034 1.00 0.73 C ATOM 97 CD GLU A 7 -14.368 6.200 0.623 1.00 1.22 C ATOM 98 OE1 GLU A 7 -15.108 5.503 -0.096 1.00 2.01 O ATOM 99 OE2 GLU A 7 -14.296 6.057 1.860 1.00 1.37 O1- ATOM 0 H GLU A 7 -11.524 6.866 -2.503 1.00 0.54 H new ATOM 0 HA GLU A 7 -11.523 8.989 -0.463 1.00 0.53 H new ATOM 0 HB2 GLU A 7 -11.893 5.962 -0.473 1.00 0.56 H new ATOM 0 HB3 GLU A 7 -11.707 6.878 1.010 1.00 0.56 H new ATOM 0 HG2 GLU A 7 -13.680 8.211 0.474 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -13.845 7.390 -1.066 1.00 0.73 H new ATOM 106 N VAL A 8 -9.162 6.692 -0.701 1.00 0.30 N ATOM 107 CA VAL A 8 -7.810 6.388 -0.232 1.00 0.24 C ATOM 108 C VAL A 8 -7.802 6.200 1.290 1.00 0.19 C ATOM 109 O VAL A 8 -7.894 7.166 2.052 1.00 0.28 O ATOM 110 CB VAL A 8 -6.798 7.489 -0.619 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.419 7.192 -0.056 1.00 0.31 C ATOM 112 CG2 VAL A 8 -6.737 7.660 -2.132 1.00 0.45 C ATOM 0 H VAL A 8 -9.592 5.949 -1.251 1.00 0.30 H new ATOM 0 HA VAL A 8 -7.504 5.463 -0.720 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.143 8.426 -0.182 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -4.729 7.985 -0.346 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.474 7.138 1.031 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.063 6.240 -0.449 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.018 8.440 -2.381 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -6.428 6.721 -2.592 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -7.721 7.941 -2.506 1.00 0.45 H new ATOM 122 N ASN A 9 -7.705 4.952 1.722 1.00 0.15 N ATOM 123 CA ASN A 9 -7.730 4.614 3.139 1.00 0.22 C ATOM 124 C ASN A 9 -7.019 3.281 3.382 1.00 0.16 C ATOM 125 O ASN A 9 -6.492 2.685 2.450 1.00 0.15 O ATOM 126 CB ASN A 9 -9.183 4.591 3.648 1.00 0.41 C ATOM 127 CG ASN A 9 -10.152 3.819 2.759 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.571 4.309 1.710 1.00 1.41 O ATOM 129 ND2 ASN A 9 -10.571 2.640 3.200 1.00 0.96 N ATOM 0 H ASN A 9 -7.607 4.147 1.104 1.00 0.15 H new ATOM 0 HA ASN A 9 -7.192 5.376 3.702 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -9.198 4.153 4.646 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.537 5.617 3.745 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -11.260 2.111 2.666 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -10.204 2.262 4.073 1.00 0.96 H new ATOM 136 N MET A 10 -6.955 2.844 4.641 1.00 0.15 N ATOM 137 CA MET A 10 -6.292 1.585 4.990 1.00 0.12 C ATOM 138 C MET A 10 -7.295 0.441 5.091 1.00 0.08 C ATOM 139 O MET A 10 -6.936 -0.729 5.140 1.00 0.09 O ATOM 140 CB MET A 10 -5.503 1.742 6.284 1.00 0.18 C ATOM 141 CG MET A 10 -4.219 2.539 6.106 1.00 0.39 C ATOM 142 SD MET A 10 -4.484 4.293 5.804 1.00 0.89 S ATOM 143 CE MET A 10 -2.825 4.769 5.325 1.00 0.24 C ATOM 0 H MET A 10 -7.354 3.343 5.436 1.00 0.15 H new ATOM 0 HA MET A 10 -5.593 1.335 4.192 1.00 0.12 H new ATOM 0 HB2 MET A 10 -6.130 2.235 7.027 1.00 0.18 H new ATOM 0 HB3 MET A 10 -5.260 0.755 6.676 1.00 0.18 H new ATOM 0 HG2 MET A 10 -3.605 2.423 6.999 1.00 0.39 H new ATOM 0 HG3 MET A 10 -3.655 2.118 5.274 1.00 0.39 H new ATOM 0 HE1 MET A 10 -2.807 5.831 5.082 1.00 0.24 H new ATOM 0 HE2 MET A 10 -2.138 4.573 6.148 1.00 0.24 H new ATOM 0 HE3 MET A 10 -2.519 4.192 4.452 1.00 0.24 H new ATOM 153 N GLY A 11 -8.539 0.851 5.119 1.00 0.10 N ATOM 154 CA GLY A 11 -9.730 -0.003 5.070 1.00 0.10 C ATOM 155 C GLY A 11 -9.936 -0.949 6.244 1.00 0.08 C ATOM 156 O GLY A 11 -11.075 -1.151 6.668 1.00 0.10 O ATOM 0 H GLY A 11 -8.775 1.841 5.180 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.607 0.639 4.991 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.687 -0.597 4.157 1.00 0.10 H new ATOM 160 N LEU A 12 -8.875 -1.504 6.787 1.00 0.07 N ATOM 161 CA LEU A 12 -8.942 -2.239 8.028 1.00 0.07 C ATOM 162 C LEU A 12 -7.997 -1.636 9.033 1.00 0.08 C ATOM 163 O LEU A 12 -7.213 -0.739 8.717 1.00 0.09 O ATOM 164 CB LEU A 12 -8.640 -3.717 7.821 1.00 0.08 C ATOM 165 CG LEU A 12 -9.554 -4.451 6.839 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.155 -5.907 6.743 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.014 -4.348 7.239 1.00 0.11 C ATOM 0 H LEU A 12 -7.941 -1.458 6.379 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.960 -2.168 8.411 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.612 -3.813 7.473 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.698 -4.219 8.787 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.438 -3.972 5.867 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.813 -6.419 6.041 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.125 -5.980 6.394 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.239 -6.373 7.725 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.628 -4.883 6.515 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.152 -4.787 8.227 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.312 -3.300 7.263 1.00 0.11 H new ATOM 179 N SER A 13 -8.086 -2.123 10.238 1.00 0.10 N ATOM 180 CA SER A 13 -7.185 -1.723 11.283 1.00 0.12 C ATOM 181 C SER A 13 -6.053 -2.729 11.410 1.00 0.13 C ATOM 182 O SER A 13 -6.279 -3.909 11.690 1.00 0.16 O ATOM 183 CB SER A 13 -7.966 -1.594 12.583 1.00 0.15 C ATOM 184 OG SER A 13 -7.119 -1.667 13.718 1.00 1.20 O ATOM 0 H SER A 13 -8.785 -2.809 10.524 1.00 0.10 H new ATOM 0 HA SER A 13 -6.739 -0.757 11.046 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.503 -0.646 12.591 1.00 0.15 H new ATOM 0 HB3 SER A 13 -8.714 -2.385 12.637 1.00 0.15 H new ATOM 0 HG SER A 13 -7.656 -1.579 14.533 1.00 1.20 H new ATOM 190 N SER A 14 -4.835 -2.259 11.183 1.00 0.13 N ATOM 191 CA SER A 14 -3.653 -3.090 11.318 1.00 0.14 C ATOM 192 C SER A 14 -3.228 -3.166 12.782 1.00 0.17 C ATOM 193 O SER A 14 -2.111 -3.574 13.103 1.00 0.19 O ATOM 194 CB SER A 14 -2.515 -2.532 10.457 1.00 0.16 C ATOM 195 OG SER A 14 -2.260 -1.167 10.761 1.00 0.20 O ATOM 0 H SER A 14 -4.641 -1.298 10.902 1.00 0.13 H new ATOM 0 HA SER A 14 -3.888 -4.097 10.973 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.611 -3.118 10.621 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.772 -2.630 9.402 1.00 0.16 H new ATOM 0 HG SER A 14 -1.511 -0.845 10.217 1.00 0.20 H new ATOM 201 N ALA A 15 -4.124 -2.770 13.668 1.00 0.21 N ATOM 202 CA ALA A 15 -3.847 -2.795 15.085 1.00 0.26 C ATOM 203 C ALA A 15 -4.178 -4.163 15.667 1.00 0.28 C ATOM 204 O ALA A 15 -5.341 -4.478 15.919 1.00 0.35 O ATOM 205 CB ALA A 15 -4.633 -1.700 15.786 1.00 0.32 C ATOM 0 H ALA A 15 -5.053 -2.426 13.425 1.00 0.21 H new ATOM 0 HA ALA A 15 -2.784 -2.611 15.243 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.419 -1.725 16.854 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.346 -0.730 15.381 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.700 -1.858 15.626 1.00 0.32 H new ATOM 211 N GLY A 16 -3.147 -4.973 15.863 1.00 0.27 N ATOM 212 CA GLY A 16 -3.334 -6.307 16.394 1.00 0.31 C ATOM 213 C GLY A 16 -3.231 -7.364 15.318 1.00 0.26 C ATOM 214 O GLY A 16 -3.221 -8.562 15.603 1.00 0.31 O ATOM 0 H GLY A 16 -2.178 -4.727 15.662 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -2.586 -6.499 17.164 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.310 -6.373 16.874 1.00 0.31 H new ATOM 218 N VAL A 17 -3.160 -6.915 14.077 1.00 0.19 N ATOM 219 CA VAL A 17 -3.053 -7.807 12.944 1.00 0.15 C ATOM 220 C VAL A 17 -1.656 -8.358 12.805 1.00 0.15 C ATOM 221 O VAL A 17 -0.667 -7.709 13.153 1.00 0.18 O ATOM 222 CB VAL A 17 -3.446 -7.088 11.642 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.428 -6.029 11.282 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.589 -8.076 10.512 1.00 0.11 C ATOM 0 H VAL A 17 -3.175 -5.925 13.831 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.740 -8.634 13.122 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.407 -6.601 11.805 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.728 -5.535 10.358 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.369 -5.293 12.084 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.452 -6.494 11.144 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.867 -7.548 9.600 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.641 -8.592 10.358 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.362 -8.803 10.760 1.00 0.11 H new ATOM 234 N ALA A 18 -1.587 -9.569 12.303 1.00 0.14 N ATOM 235 CA ALA A 18 -0.321 -10.188 12.045 1.00 0.14 C ATOM 236 C ALA A 18 0.132 -9.869 10.635 1.00 0.13 C ATOM 237 O ALA A 18 0.137 -10.718 9.745 1.00 0.13 O ATOM 238 CB ALA A 18 -0.432 -11.679 12.262 1.00 0.16 C ATOM 0 H ALA A 18 -2.398 -10.141 12.067 1.00 0.14 H new ATOM 0 HA ALA A 18 0.427 -9.797 12.735 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.532 -12.148 12.065 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.728 -11.876 13.293 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.181 -12.090 11.585 1.00 0.16 H new ATOM 244 N VAL A 19 0.569 -8.644 10.466 1.00 0.12 N ATOM 245 CA VAL A 19 0.947 -8.137 9.161 1.00 0.11 C ATOM 246 C VAL A 19 2.392 -8.452 8.820 1.00 0.11 C ATOM 247 O VAL A 19 3.290 -8.323 9.655 1.00 0.12 O ATOM 248 CB VAL A 19 0.662 -6.622 9.046 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.893 -5.925 10.363 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.512 -5.986 7.968 1.00 0.11 C ATOM 0 H VAL A 19 0.674 -7.970 11.224 1.00 0.12 H new ATOM 0 HA VAL A 19 0.328 -8.653 8.427 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.387 -6.508 8.772 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.685 -4.861 10.253 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.231 -6.348 11.119 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.930 -6.062 10.670 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.289 -4.921 7.911 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.566 -6.124 8.207 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.293 -6.455 7.008 1.00 0.11 H new ATOM 260 N GLN A 20 2.596 -8.891 7.581 1.00 0.09 N ATOM 261 CA GLN A 20 3.913 -9.218 7.105 1.00 0.10 C ATOM 262 C GLN A 20 4.630 -7.956 6.671 1.00 0.10 C ATOM 263 O GLN A 20 4.416 -7.451 5.576 1.00 0.11 O ATOM 264 CB GLN A 20 3.816 -10.194 5.939 1.00 0.11 C ATOM 265 CG GLN A 20 2.976 -11.420 6.240 1.00 0.13 C ATOM 266 CD GLN A 20 3.032 -12.452 5.140 1.00 0.24 C ATOM 267 OE1 GLN A 20 4.015 -12.555 4.412 1.00 0.66 O ATOM 268 NE2 GLN A 20 1.974 -13.229 5.022 1.00 0.48 N ATOM 0 H GLN A 20 1.854 -9.025 6.894 1.00 0.09 H new ATOM 0 HA GLN A 20 4.479 -9.687 7.910 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.393 -9.677 5.078 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.820 -10.512 5.658 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.319 -11.870 7.172 1.00 0.13 H new ATOM 0 HG3 GLN A 20 1.941 -11.116 6.395 1.00 0.13 H new ATOM 0 HE21 GLN A 20 1.179 -13.107 5.650 1.00 0.48 H new ATOM 0 HE22 GLN A 20 1.950 -13.952 4.303 1.00 0.48 H new ATOM 277 N ARG A 21 5.518 -7.487 7.518 1.00 0.10 N ATOM 278 CA ARG A 21 6.239 -6.251 7.262 1.00 0.12 C ATOM 279 C ARG A 21 7.577 -6.530 6.605 1.00 0.14 C ATOM 280 O ARG A 21 8.050 -5.755 5.777 1.00 0.16 O ATOM 281 CB ARG A 21 6.451 -5.500 8.568 1.00 0.13 C ATOM 282 CG ARG A 21 5.270 -5.615 9.511 1.00 0.16 C ATOM 283 CD ARG A 21 4.995 -4.311 10.226 1.00 0.33 C ATOM 284 NE ARG A 21 4.050 -4.483 11.328 1.00 0.40 N ATOM 285 CZ ARG A 21 3.155 -3.569 11.691 1.00 0.58 C ATOM 286 NH1 ARG A 21 3.042 -2.440 11.007 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 2.359 -3.791 12.730 1.00 0.62 N ATOM 0 H ARG A 21 5.763 -7.943 8.397 1.00 0.10 H new ATOM 0 HA ARG A 21 5.645 -5.640 6.582 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.343 -5.885 9.062 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.635 -4.448 8.351 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.385 -5.916 8.951 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.465 -6.398 10.244 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.930 -3.903 10.610 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.598 -3.585 9.517 1.00 0.33 H new ATOM 0 HE ARG A 21 4.079 -5.358 11.851 1.00 0.40 H new ATOM 0 HH11 ARG A 21 3.642 -2.270 10.200 1.00 0.84 H new ATOM 0 HH12 ARG A 21 2.355 -1.740 11.287 1.00 0.84 H new ATOM 0 HH21 ARG A 21 2.433 -4.664 13.252 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.673 -3.088 13.006 1.00 0.62 H new ATOM 301 N SER A 22 8.178 -7.652 6.966 1.00 0.18 N ATOM 302 CA SER A 22 9.472 -8.030 6.427 1.00 0.21 C ATOM 303 C SER A 22 9.317 -8.568 5.011 1.00 0.19 C ATOM 304 O SER A 22 10.293 -8.772 4.290 1.00 0.28 O ATOM 305 CB SER A 22 10.125 -9.074 7.319 1.00 0.28 C ATOM 306 OG SER A 22 10.222 -8.610 8.657 1.00 0.89 O ATOM 0 H SER A 22 7.788 -8.318 7.633 1.00 0.18 H new ATOM 0 HA SER A 22 10.110 -7.147 6.395 1.00 0.21 H new ATOM 0 HB2 SER A 22 9.544 -9.996 7.291 1.00 0.28 H new ATOM 0 HB3 SER A 22 11.119 -9.312 6.940 1.00 0.28 H new ATOM 0 HG SER A 22 10.643 -9.299 9.212 1.00 0.89 H new ATOM 312 N ALA A 23 8.072 -8.790 4.625 1.00 0.14 N ATOM 313 CA ALA A 23 7.746 -9.276 3.297 1.00 0.14 C ATOM 314 C ALA A 23 7.629 -8.114 2.318 1.00 0.13 C ATOM 315 O ALA A 23 7.439 -8.311 1.117 1.00 0.17 O ATOM 316 CB ALA A 23 6.451 -10.067 3.352 1.00 0.17 C ATOM 0 H ALA A 23 7.260 -8.638 5.224 1.00 0.14 H new ATOM 0 HA ALA A 23 8.545 -9.929 2.947 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.205 -10.432 2.355 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.570 -10.913 4.029 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.647 -9.424 3.711 1.00 0.17 H new ATOM 322 N SER A 24 7.764 -6.907 2.846 1.00 0.14 N ATOM 323 CA SER A 24 7.607 -5.691 2.068 1.00 0.15 C ATOM 324 C SER A 24 8.706 -5.542 1.024 1.00 0.15 C ATOM 325 O SER A 24 9.842 -5.986 1.219 1.00 0.26 O ATOM 326 CB SER A 24 7.605 -4.487 3.007 1.00 0.17 C ATOM 327 OG SER A 24 7.555 -3.266 2.290 1.00 0.21 O ATOM 0 H SER A 24 7.986 -6.744 3.828 1.00 0.14 H new ATOM 0 HA SER A 24 6.658 -5.747 1.535 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.749 -4.550 3.679 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.500 -4.508 3.629 1.00 0.17 H new ATOM 0 HG SER A 24 8.260 -2.667 2.614 1.00 0.21 H new ATOM 333 N ARG A 25 8.347 -4.932 -0.099 1.00 0.12 N ATOM 334 CA ARG A 25 9.284 -4.672 -1.168 1.00 0.12 C ATOM 335 C ARG A 25 10.024 -3.365 -0.967 1.00 0.13 C ATOM 336 O ARG A 25 11.054 -3.128 -1.594 1.00 0.18 O ATOM 337 CB ARG A 25 8.556 -4.654 -2.502 1.00 0.17 C ATOM 338 CG ARG A 25 8.310 -6.039 -3.073 1.00 0.27 C ATOM 339 CD ARG A 25 9.597 -6.838 -3.144 1.00 0.41 C ATOM 340 NE ARG A 25 9.965 -7.402 -1.842 1.00 1.10 N ATOM 341 CZ ARG A 25 11.061 -8.125 -1.619 1.00 1.31 C ATOM 342 NH1 ARG A 25 11.896 -8.401 -2.610 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 11.319 -8.571 -0.395 1.00 2.10 N ATOM 0 H ARG A 25 7.399 -4.607 -0.287 1.00 0.12 H new ATOM 0 HA ARG A 25 10.022 -5.474 -1.162 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.600 -4.145 -2.379 1.00 0.17 H new ATOM 0 HB3 ARG A 25 9.138 -4.072 -3.217 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.584 -6.567 -2.454 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.877 -5.953 -4.069 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.484 -7.644 -3.869 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.403 -6.197 -3.502 1.00 0.41 H new ATOM 0 HE ARG A 25 9.340 -7.229 -1.055 1.00 1.10 H new ATOM 0 HH11 ARG A 25 11.701 -8.059 -3.551 1.00 1.30 H new ATOM 0 HH12 ARG A 25 12.734 -8.955 -2.432 1.00 1.30 H new ATOM 0 HH21 ARG A 25 10.679 -8.360 0.370 1.00 2.10 H new ATOM 0 HH22 ARG A 25 12.157 -9.125 -0.220 1.00 2.10 H new ATOM 357 N VAL A 26 9.495 -2.521 -0.101 1.00 0.12 N ATOM 358 CA VAL A 26 10.083 -1.216 0.146 1.00 0.12 C ATOM 359 C VAL A 26 10.267 -1.007 1.648 1.00 0.13 C ATOM 360 O VAL A 26 9.538 -1.585 2.451 1.00 0.13 O ATOM 361 CB VAL A 26 9.209 -0.097 -0.467 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.860 1.258 -0.287 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.953 -0.367 -1.943 1.00 0.12 C ATOM 0 H VAL A 26 8.656 -2.716 0.445 1.00 0.12 H new ATOM 0 HA VAL A 26 11.061 -1.172 -0.334 1.00 0.12 H new ATOM 0 HB VAL A 26 8.254 -0.090 0.058 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.226 2.028 -0.727 1.00 0.11 H new ATOM 0 HG12 VAL A 26 9.992 1.460 0.776 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.832 1.263 -0.781 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.336 0.431 -2.357 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.903 -0.405 -2.476 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.436 -1.320 -2.054 1.00 0.12 H new ATOM 373 N ALA A 27 11.256 -0.203 2.025 1.00 0.13 N ATOM 374 CA ALA A 27 11.624 -0.058 3.427 1.00 0.13 C ATOM 375 C ALA A 27 10.579 0.688 4.241 1.00 0.12 C ATOM 376 O ALA A 27 10.105 1.745 3.866 1.00 0.11 O ATOM 377 CB ALA A 27 12.963 0.630 3.573 1.00 0.14 C ATOM 0 H ALA A 27 11.815 0.356 1.381 1.00 0.13 H new ATOM 0 HA ALA A 27 11.690 -1.071 3.823 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.210 0.724 4.630 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.731 0.041 3.071 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.914 1.621 3.123 1.00 0.14 H new ATOM 383 N TYR A 28 10.293 0.116 5.381 1.00 0.13 N ATOM 384 CA TYR A 28 9.371 0.612 6.379 1.00 0.13 C ATOM 385 C TYR A 28 9.867 1.857 7.096 1.00 0.13 C ATOM 386 O TYR A 28 9.804 1.912 8.323 1.00 0.16 O ATOM 387 CB TYR A 28 9.041 -0.478 7.377 1.00 0.15 C ATOM 388 CG TYR A 28 7.615 -0.957 7.283 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.589 -0.270 7.911 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.297 -2.100 6.558 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.284 -0.702 7.814 1.00 0.14 C ATOM 392 CE2 TYR A 28 5.994 -2.542 6.462 1.00 0.14 C ATOM 393 CZ TYR A 28 4.988 -1.838 7.128 1.00 0.14 C ATOM 394 OH TYR A 28 3.688 -2.258 6.972 1.00 0.16 O ATOM 0 H TYR A 28 10.724 -0.766 5.659 1.00 0.13 H new ATOM 0 HA TYR A 28 8.468 0.907 5.845 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.712 -1.322 7.219 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.227 -0.107 8.385 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.815 0.617 8.485 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.083 -2.651 6.062 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.494 -0.136 8.285 1.00 0.14 H new ATOM 0 HE2 TYR A 28 5.755 -3.420 5.880 1.00 0.14 H new ATOM 0 HH TYR A 28 3.116 -1.802 7.625 1.00 0.16 H new ATOM 404 N ASN A 29 10.386 2.837 6.368 1.00 0.13 N ATOM 405 CA ASN A 29 11.262 3.846 6.966 1.00 0.15 C ATOM 406 C ASN A 29 10.473 4.736 7.919 1.00 0.15 C ATOM 407 O ASN A 29 9.821 5.696 7.535 1.00 0.14 O ATOM 408 CB ASN A 29 11.940 4.731 5.879 1.00 0.15 C ATOM 409 CG ASN A 29 11.007 5.349 4.842 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.456 5.818 3.801 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.718 5.367 5.108 1.00 0.12 N ATOM 0 H ASN A 29 10.220 2.958 5.369 1.00 0.13 H new ATOM 0 HA ASN A 29 12.040 3.317 7.516 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.480 5.536 6.379 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.681 4.126 5.357 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.065 5.778 4.441 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.372 4.970 5.981 1.00 0.12 H new ATOM 418 N GLN A 30 10.548 4.400 9.197 1.00 0.18 N ATOM 419 CA GLN A 30 9.729 5.047 10.203 1.00 0.19 C ATOM 420 C GLN A 30 9.999 6.545 10.247 1.00 0.21 C ATOM 421 O GLN A 30 9.202 7.310 10.769 1.00 0.24 O ATOM 422 CB GLN A 30 9.954 4.425 11.577 1.00 0.23 C ATOM 423 CG GLN A 30 8.868 4.791 12.562 1.00 0.26 C ATOM 424 CD GLN A 30 7.528 4.226 12.183 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.425 3.147 11.600 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.497 4.967 12.499 1.00 0.29 N ATOM 0 H GLN A 30 11.171 3.679 9.561 1.00 0.18 H new ATOM 0 HA GLN A 30 8.686 4.895 9.926 1.00 0.19 H new ATOM 0 HB2 GLN A 30 10.000 3.340 11.478 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.918 4.751 11.966 1.00 0.23 H new ATOM 0 HG2 GLN A 30 9.144 4.428 13.552 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.794 5.876 12.629 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.636 5.854 12.983 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.555 4.657 12.262 1.00 0.29 H new ATOM 435 N SER A 31 11.107 6.955 9.661 1.00 0.20 N ATOM 436 CA SER A 31 11.453 8.361 9.574 1.00 0.21 C ATOM 437 C SER A 31 10.579 9.051 8.531 1.00 0.21 C ATOM 438 O SER A 31 10.081 10.149 8.764 1.00 0.30 O ATOM 439 CB SER A 31 12.935 8.508 9.218 1.00 0.23 C ATOM 440 OG SER A 31 13.376 9.848 9.346 1.00 1.11 O ATOM 0 H SER A 31 11.789 6.328 9.234 1.00 0.20 H new ATOM 0 HA SER A 31 11.277 8.836 10.539 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.530 7.866 9.867 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.099 8.167 8.196 1.00 0.23 H new ATOM 0 HG SER A 31 14.326 9.903 9.112 1.00 1.11 H new ATOM 446 N ALA A 32 10.360 8.388 7.394 1.00 0.15 N ATOM 447 CA ALA A 32 9.492 8.937 6.358 1.00 0.14 C ATOM 448 C ALA A 32 8.053 8.664 6.734 1.00 0.14 C ATOM 449 O ALA A 32 7.151 9.430 6.412 1.00 0.15 O ATOM 450 CB ALA A 32 9.808 8.346 4.989 1.00 0.12 C ATOM 0 H ALA A 32 10.768 7.480 7.171 1.00 0.15 H new ATOM 0 HA ALA A 32 9.662 10.011 6.289 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.141 8.779 4.243 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.842 8.570 4.726 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.667 7.265 5.018 1.00 0.12 H new ATOM 456 N ILE A 33 7.865 7.564 7.448 1.00 0.14 N ATOM 457 CA ILE A 33 6.559 7.175 7.946 1.00 0.16 C ATOM 458 C ILE A 33 6.055 8.197 8.951 1.00 0.19 C ATOM 459 O ILE A 33 4.889 8.593 8.939 1.00 0.22 O ATOM 460 CB ILE A 33 6.621 5.806 8.629 1.00 0.16 C ATOM 461 CG1 ILE A 33 6.953 4.713 7.619 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.325 5.506 9.345 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.113 3.345 8.248 1.00 0.15 C ATOM 0 H ILE A 33 8.614 6.918 7.697 1.00 0.14 H new ATOM 0 HA ILE A 33 5.881 7.123 7.094 1.00 0.16 H new ATOM 0 HB ILE A 33 7.418 5.831 9.372 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.164 4.670 6.868 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.874 4.976 7.099 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.391 4.529 9.823 1.00 0.20 H new ATOM 0 HG22 ILE A 33 5.143 6.269 10.102 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.505 5.504 8.627 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.348 2.614 7.474 1.00 0.15 H new ATOM 0 HD12 ILE A 33 7.921 3.373 8.979 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.185 3.062 8.744 1.00 0.15 H new ATOM 475 N ASP A 34 6.963 8.620 9.817 1.00 0.20 N ATOM 476 CA ASP A 34 6.657 9.583 10.852 1.00 0.24 C ATOM 477 C ASP A 34 6.614 10.969 10.241 1.00 0.25 C ATOM 478 O ASP A 34 6.102 11.925 10.821 1.00 0.29 O ATOM 479 CB ASP A 34 7.717 9.502 11.946 1.00 0.26 C ATOM 480 CG ASP A 34 7.447 10.427 13.114 1.00 0.78 C ATOM 481 OD1 ASP A 34 6.572 10.098 13.944 1.00 1.54 O ATOM 482 OD2 ASP A 34 8.120 11.476 13.225 1.00 1.41 O1- ATOM 0 H ASP A 34 7.932 8.302 9.818 1.00 0.20 H new ATOM 0 HA ASP A 34 5.686 9.366 11.296 1.00 0.24 H new ATOM 0 HB2 ASP A 34 7.775 8.476 12.310 1.00 0.26 H new ATOM 0 HB3 ASP A 34 8.690 9.744 11.518 1.00 0.26 H new ATOM 487 N ASP A 35 7.134 11.035 9.029 1.00 0.22 N ATOM 488 CA ASP A 35 7.149 12.245 8.238 1.00 0.24 C ATOM 489 C ASP A 35 5.875 12.309 7.402 1.00 0.24 C ATOM 490 O ASP A 35 5.818 12.982 6.378 1.00 0.25 O ATOM 491 CB ASP A 35 8.389 12.299 7.355 1.00 0.23 C ATOM 492 CG ASP A 35 8.734 13.711 6.928 1.00 0.29 C ATOM 493 OD1 ASP A 35 8.484 14.070 5.759 1.00 0.49 O ATOM 494 OD2 ASP A 35 9.265 14.472 7.767 1.00 0.48 O1- ATOM 0 H ASP A 35 7.563 10.236 8.562 1.00 0.22 H new ATOM 0 HA ASP A 35 7.185 13.110 8.900 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.234 11.869 7.893 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.228 11.684 6.470 1.00 0.23 H new ATOM 499 N SER A 36 4.899 11.497 7.820 1.00 0.25 N ATOM 500 CA SER A 36 3.592 11.345 7.170 1.00 0.27 C ATOM 501 C SER A 36 2.984 12.667 6.671 1.00 0.30 C ATOM 502 O SER A 36 2.087 12.654 5.826 1.00 0.37 O ATOM 503 CB SER A 36 2.627 10.671 8.151 1.00 0.35 C ATOM 504 OG SER A 36 1.411 10.306 7.520 1.00 1.47 O ATOM 0 H SER A 36 4.999 10.908 8.647 1.00 0.25 H new ATOM 0 HA SER A 36 3.749 10.733 6.282 1.00 0.27 H new ATOM 0 HB2 SER A 36 3.098 9.784 8.574 1.00 0.35 H new ATOM 0 HB3 SER A 36 2.419 11.348 8.980 1.00 0.35 H new ATOM 0 HG SER A 36 0.819 9.878 8.173 1.00 1.47 H new ATOM 510 N ASN A 37 3.458 13.798 7.180 1.00 0.29 N ATOM 511 CA ASN A 37 2.997 15.092 6.699 1.00 0.31 C ATOM 512 C ASN A 37 3.405 15.337 5.246 1.00 0.30 C ATOM 513 O ASN A 37 2.939 16.284 4.619 1.00 0.34 O ATOM 514 CB ASN A 37 3.496 16.244 7.590 1.00 0.34 C ATOM 515 CG ASN A 37 5.016 16.312 7.781 1.00 0.49 C ATOM 516 OD1 ASN A 37 5.487 16.795 8.811 1.00 0.97 O ATOM 517 ND2 ASN A 37 5.797 15.846 6.815 1.00 0.30 N ATOM 0 H ASN A 37 4.157 13.844 7.921 1.00 0.29 H new ATOM 0 HA ASN A 37 1.908 15.069 6.748 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.158 17.187 7.160 1.00 0.34 H new ATOM 0 HB3 ASN A 37 3.027 16.154 8.570 1.00 0.34 H new ATOM 0 HD21 ASN A 37 6.811 15.883 6.917 1.00 0.30 H new ATOM 0 HD22 ASN A 37 5.383 15.450 5.971 1.00 0.30 H new ATOM 524 N ASN A 38 4.293 14.493 4.725 1.00 0.26 N ATOM 525 CA ASN A 38 4.755 14.604 3.368 1.00 0.28 C ATOM 526 C ASN A 38 3.628 14.474 2.377 1.00 0.36 C ATOM 527 O ASN A 38 2.706 13.676 2.558 1.00 0.82 O ATOM 528 CB ASN A 38 5.760 13.508 3.092 1.00 0.21 C ATOM 529 CG ASN A 38 6.969 14.055 2.404 1.00 0.23 C ATOM 530 OD1 ASN A 38 7.033 14.134 1.179 1.00 0.25 O ATOM 531 ND2 ASN A 38 7.932 14.438 3.199 1.00 0.25 N ATOM 0 H ASN A 38 4.705 13.717 5.243 1.00 0.26 H new ATOM 0 HA ASN A 38 5.205 15.590 3.253 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.053 13.033 4.028 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.302 12.736 2.473 1.00 0.21 H new ATOM 0 HD21 ASN A 38 8.791 14.826 2.809 1.00 0.25 H new ATOM 0 HD22 ASN A 38 7.825 14.349 4.209 1.00 0.25 H new ATOM 538 N SER A 39 3.729 15.241 1.309 1.00 0.29 N ATOM 539 CA SER A 39 2.852 15.077 0.175 1.00 0.31 C ATOM 540 C SER A 39 3.195 13.781 -0.538 1.00 0.21 C ATOM 541 O SER A 39 2.480 13.347 -1.439 1.00 0.21 O ATOM 542 CB SER A 39 2.993 16.257 -0.776 1.00 0.43 C ATOM 543 OG SER A 39 4.356 16.605 -0.960 1.00 1.39 O ATOM 0 H SER A 39 4.416 15.988 1.207 1.00 0.29 H new ATOM 0 HA SER A 39 1.819 15.037 0.519 1.00 0.31 H new ATOM 0 HB2 SER A 39 2.545 16.008 -1.738 1.00 0.43 H new ATOM 0 HB3 SER A 39 2.446 17.113 -0.382 1.00 0.43 H new ATOM 0 HG SER A 39 4.419 17.364 -1.576 1.00 1.39 H new ATOM 549 N ALA A 40 4.297 13.160 -0.110 1.00 0.15 N ATOM 550 CA ALA A 40 4.718 11.884 -0.645 1.00 0.12 C ATOM 551 C ALA A 40 3.716 10.807 -0.285 1.00 0.11 C ATOM 552 O ALA A 40 3.687 9.752 -0.888 1.00 0.14 O ATOM 553 CB ALA A 40 6.091 11.518 -0.121 1.00 0.10 C ATOM 0 H ALA A 40 4.912 13.533 0.613 1.00 0.15 H new ATOM 0 HA ALA A 40 4.771 11.964 -1.731 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.393 10.555 -0.533 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.810 12.282 -0.419 1.00 0.10 H new ATOM 0 HB3 ALA A 40 6.060 11.453 0.967 1.00 0.10 H new ATOM 559 N TRP A 41 2.893 11.090 0.704 1.00 0.10 N ATOM 560 CA TRP A 41 1.938 10.117 1.194 1.00 0.10 C ATOM 561 C TRP A 41 0.558 10.314 0.577 1.00 0.12 C ATOM 562 O TRP A 41 -0.335 9.483 0.747 1.00 0.15 O ATOM 563 CB TRP A 41 1.850 10.214 2.702 1.00 0.10 C ATOM 564 CG TRP A 41 3.124 9.849 3.392 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.922 10.681 4.114 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.765 8.566 3.405 1.00 0.09 C ATOM 567 NE1 TRP A 41 4.991 9.992 4.615 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.922 8.694 4.190 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.471 7.321 2.847 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.781 7.626 4.429 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.326 6.266 3.081 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.468 6.424 3.872 1.00 0.12 C ATOM 0 H TRP A 41 2.866 11.989 1.186 1.00 0.10 H new ATOM 0 HA TRP A 41 2.287 9.126 0.904 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.574 11.232 2.978 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.053 9.560 3.056 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.738 11.734 4.269 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.722 10.383 5.210 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.587 7.187 2.241 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.666 7.747 5.036 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 4.110 5.301 2.646 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.114 5.576 4.044 1.00 0.12 H new ATOM 583 N ASP A 42 0.389 11.414 -0.127 1.00 0.11 N ATOM 584 CA ASP A 42 -0.855 11.692 -0.822 1.00 0.14 C ATOM 585 C ASP A 42 -0.814 11.055 -2.198 1.00 0.15 C ATOM 586 O ASP A 42 -0.072 11.490 -3.079 1.00 0.21 O ATOM 587 CB ASP A 42 -1.088 13.196 -0.937 1.00 0.21 C ATOM 588 CG ASP A 42 -2.317 13.530 -1.762 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.415 13.037 -1.423 1.00 0.50 O ATOM 590 OD2 ASP A 42 -2.192 14.282 -2.752 1.00 0.41 O1- ATOM 0 H ASP A 42 1.102 12.136 -0.235 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.682 11.269 -0.252 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.197 13.621 0.061 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.213 13.663 -1.389 1.00 0.21 H new ATOM 595 N PHE A 43 -1.599 9.998 -2.348 1.00 0.11 N ATOM 596 CA PHE A 43 -1.646 9.239 -3.590 1.00 0.10 C ATOM 597 C PHE A 43 -2.084 10.128 -4.762 1.00 0.12 C ATOM 598 O PHE A 43 -1.309 10.402 -5.681 1.00 0.14 O ATOM 599 CB PHE A 43 -2.687 8.120 -3.497 1.00 0.09 C ATOM 600 CG PHE A 43 -2.459 7.037 -2.498 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.204 7.379 -1.186 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.494 5.703 -2.844 1.00 0.07 C ATOM 603 CE1 PHE A 43 -1.994 6.416 -0.237 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.280 4.730 -1.894 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.040 4.975 -0.711 1.00 0.06 C ATOM 0 H PHE A 43 -2.217 9.644 -1.618 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.644 8.842 -3.751 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.652 8.578 -3.279 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.769 7.656 -4.480 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.170 8.421 -0.904 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.691 5.419 -3.867 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.805 6.668 0.796 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.325 3.696 -2.203 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.863 4.169 -0.015 1.00 0.06 H new ATOM 615 N ALA A 44 -3.332 10.609 -4.664 1.00 0.13 N ATOM 616 CA ALA A 44 -3.982 11.447 -5.680 1.00 0.16 C ATOM 617 C ALA A 44 -5.494 11.499 -5.430 1.00 0.18 C ATOM 618 O ALA A 44 -5.952 12.108 -4.466 1.00 0.24 O ATOM 619 CB ALA A 44 -3.725 10.937 -7.098 1.00 0.16 C ATOM 0 H ALA A 44 -3.929 10.422 -3.859 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.552 12.445 -5.597 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.225 11.588 -7.815 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.653 10.935 -7.295 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.113 9.923 -7.196 1.00 0.16 H new ATOM 625 N ASP A 45 -6.261 10.823 -6.289 1.00 0.17 N ATOM 626 CA ASP A 45 -7.715 10.745 -6.152 1.00 0.20 C ATOM 627 C ASP A 45 -8.235 9.401 -6.655 1.00 0.16 C ATOM 628 O ASP A 45 -8.143 9.102 -7.846 1.00 0.19 O ATOM 629 CB ASP A 45 -8.396 11.872 -6.921 1.00 0.26 C ATOM 630 CG ASP A 45 -8.360 13.198 -6.189 1.00 1.04 C ATOM 631 OD1 ASP A 45 -7.518 14.053 -6.532 1.00 1.82 O ATOM 632 OD2 ASP A 45 -9.176 13.396 -5.264 1.00 1.18 O1- ATOM 0 H ASP A 45 -5.893 10.317 -7.095 1.00 0.17 H new ATOM 0 HA ASP A 45 -7.951 10.846 -5.093 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -7.912 11.986 -7.891 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -9.433 11.598 -7.113 1.00 0.26 H new ATOM 637 N GLY A 46 -8.758 8.586 -5.733 1.00 0.17 N ATOM 638 CA GLY A 46 -9.246 7.243 -6.069 1.00 0.16 C ATOM 639 C GLY A 46 -8.168 6.385 -6.696 1.00 0.12 C ATOM 640 O GLY A 46 -8.443 5.360 -7.308 1.00 0.16 O ATOM 0 H GLY A 46 -8.855 8.832 -4.748 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.617 6.756 -5.167 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.088 7.325 -6.756 1.00 0.16 H new ATOM 644 N VAL A 47 -6.936 6.809 -6.496 1.00 0.08 N ATOM 645 CA VAL A 47 -5.761 6.144 -7.017 1.00 0.06 C ATOM 646 C VAL A 47 -5.550 4.851 -6.267 1.00 0.05 C ATOM 647 O VAL A 47 -5.270 3.811 -6.845 1.00 0.06 O ATOM 648 CB VAL A 47 -4.547 7.076 -6.864 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.735 7.952 -5.654 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.249 6.291 -6.786 1.00 0.09 C ATOM 0 H VAL A 47 -6.720 7.646 -5.954 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.890 5.913 -8.074 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.477 7.709 -7.748 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.875 8.612 -5.546 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.638 8.550 -5.774 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.828 7.329 -4.765 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.412 6.981 -6.678 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.280 5.621 -5.927 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.122 5.706 -7.697 1.00 0.09 H new ATOM 660 N LEU A 48 -5.744 4.930 -4.971 1.00 0.06 N ATOM 661 CA LEU A 48 -5.656 3.781 -4.116 1.00 0.06 C ATOM 662 C LEU A 48 -6.826 2.876 -4.357 1.00 0.08 C ATOM 663 O LEU A 48 -6.689 1.666 -4.463 1.00 0.09 O ATOM 664 CB LEU A 48 -5.656 4.256 -2.691 1.00 0.08 C ATOM 665 CG LEU A 48 -5.659 3.159 -1.643 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.655 2.075 -2.005 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.361 3.745 -0.282 1.00 0.10 C ATOM 0 H LEU A 48 -5.968 5.798 -4.484 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.742 3.224 -4.324 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.779 4.883 -2.534 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.531 4.887 -2.535 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.648 2.701 -1.610 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.670 1.296 -1.243 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.918 1.643 -2.971 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.656 2.508 -2.061 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.365 2.951 0.465 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.382 4.223 -0.298 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.121 4.484 -0.030 1.00 0.10 H new ATOM 679 N GLU A 49 -7.961 3.501 -4.500 1.00 0.09 N ATOM 680 CA GLU A 49 -9.212 2.816 -4.717 1.00 0.12 C ATOM 681 C GLU A 49 -9.157 2.052 -6.022 1.00 0.12 C ATOM 682 O GLU A 49 -9.916 1.124 -6.248 1.00 0.15 O ATOM 683 CB GLU A 49 -10.313 3.858 -4.749 1.00 0.17 C ATOM 684 CG GLU A 49 -10.558 4.503 -3.408 1.00 0.30 C ATOM 685 CD GLU A 49 -12.026 4.641 -3.111 1.00 0.99 C ATOM 686 OE1 GLU A 49 -12.576 5.725 -3.345 1.00 1.32 O ATOM 687 OE2 GLU A 49 -12.639 3.660 -2.656 1.00 1.49 O1- ATOM 0 H GLU A 49 -8.048 4.517 -4.469 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.405 2.100 -3.918 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -10.054 4.629 -5.474 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.236 3.392 -5.095 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -10.084 3.908 -2.627 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.090 5.487 -3.388 1.00 0.30 H new ATOM 694 N GLN A 50 -8.219 2.455 -6.850 1.00 0.10 N ATOM 695 CA GLN A 50 -7.955 1.829 -8.116 1.00 0.11 C ATOM 696 C GLN A 50 -7.189 0.568 -7.928 1.00 0.10 C ATOM 697 O GLN A 50 -7.578 -0.506 -8.373 1.00 0.12 O ATOM 698 CB GLN A 50 -7.114 2.757 -8.943 1.00 0.11 C ATOM 699 CG GLN A 50 -7.937 3.530 -9.939 1.00 0.14 C ATOM 700 CD GLN A 50 -8.132 2.760 -11.234 1.00 0.21 C ATOM 701 OE1 GLN A 50 -8.351 3.354 -12.291 1.00 0.37 O ATOM 702 NE2 GLN A 50 -8.000 1.434 -11.181 1.00 0.20 N ATOM 0 H GLN A 50 -7.607 3.246 -6.652 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.905 1.609 -8.603 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.591 3.453 -8.287 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.352 2.183 -9.470 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.910 3.761 -9.504 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.449 4.481 -10.152 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -7.819 0.975 -10.288 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -8.080 0.879 -12.033 1.00 0.20 H new ATOM 711 N ILE A 51 -6.073 0.743 -7.279 1.00 0.09 N ATOM 712 CA ILE A 51 -5.173 -0.329 -6.981 1.00 0.09 C ATOM 713 C ILE A 51 -5.892 -1.363 -6.157 1.00 0.11 C ATOM 714 O ILE A 51 -5.704 -2.558 -6.321 1.00 0.16 O ATOM 715 CB ILE A 51 -3.994 0.209 -6.183 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.464 1.472 -6.851 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.919 -0.854 -6.060 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.511 2.242 -5.987 1.00 0.06 C ATOM 0 H ILE A 51 -5.760 1.652 -6.937 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.816 -0.776 -7.909 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.316 0.467 -5.174 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.964 1.201 -7.781 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.304 2.114 -7.117 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -2.080 -0.459 -5.487 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.327 -1.727 -5.550 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.576 -1.142 -7.054 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.171 3.129 -6.521 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -3.014 2.543 -5.068 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.654 1.615 -5.742 1.00 0.06 H new ATOM 730 N LEU A 52 -6.738 -0.863 -5.284 1.00 0.09 N ATOM 731 CA LEU A 52 -7.555 -1.686 -4.427 1.00 0.10 C ATOM 732 C LEU A 52 -8.639 -2.375 -5.217 1.00 0.11 C ATOM 733 O LEU A 52 -8.890 -3.568 -5.040 1.00 0.13 O ATOM 734 CB LEU A 52 -8.163 -0.808 -3.361 1.00 0.10 C ATOM 735 CG LEU A 52 -7.182 -0.375 -2.301 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.797 0.709 -1.454 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.795 -1.571 -1.467 1.00 0.10 C ATOM 0 H LEU A 52 -6.878 0.138 -5.149 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.938 -2.459 -3.969 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.590 0.077 -3.832 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.985 -1.344 -2.886 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.282 0.030 -2.763 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.086 1.020 -0.689 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.050 1.563 -2.083 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.701 0.329 -0.977 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -6.086 -1.264 -0.698 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.684 -1.988 -0.994 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.335 -2.326 -2.105 1.00 0.10 H new ATOM 749 N ALA A 53 -9.263 -1.615 -6.099 1.00 0.12 N ATOM 750 CA ALA A 53 -10.271 -2.154 -7.002 1.00 0.14 C ATOM 751 C ALA A 53 -9.648 -3.284 -7.794 1.00 0.15 C ATOM 752 O ALA A 53 -10.258 -4.325 -8.041 1.00 0.18 O ATOM 753 CB ALA A 53 -10.782 -1.071 -7.939 1.00 0.16 C ATOM 0 H ALA A 53 -9.090 -0.616 -6.211 1.00 0.12 H new ATOM 0 HA ALA A 53 -11.120 -2.525 -6.428 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.534 -1.492 -8.606 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.226 -0.264 -7.355 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.953 -0.679 -8.528 1.00 0.16 H new ATOM 759 N THR A 54 -8.405 -3.050 -8.151 1.00 0.15 N ATOM 760 CA THR A 54 -7.580 -4.016 -8.800 1.00 0.16 C ATOM 761 C THR A 54 -7.283 -5.181 -7.858 1.00 0.15 C ATOM 762 O THR A 54 -7.560 -6.320 -8.196 1.00 0.17 O ATOM 763 CB THR A 54 -6.291 -3.325 -9.278 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.537 -2.655 -10.522 1.00 0.24 O ATOM 765 CG2 THR A 54 -5.121 -4.296 -9.423 1.00 0.24 C ATOM 0 H THR A 54 -7.938 -2.158 -7.989 1.00 0.15 H new ATOM 0 HA THR A 54 -8.097 -4.430 -9.666 1.00 0.16 H new ATOM 0 HB THR A 54 -6.006 -2.601 -8.514 1.00 0.18 H new ATOM 0 HG1 THR A 54 -5.716 -2.214 -10.824 1.00 0.24 H new ATOM 0 HG21 THR A 54 -4.238 -3.754 -9.763 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.913 -4.761 -8.460 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.376 -5.067 -10.150 1.00 0.24 H new ATOM 773 N SER A 55 -6.776 -4.881 -6.660 1.00 0.13 N ATOM 774 CA SER A 55 -6.406 -5.894 -5.682 1.00 0.13 C ATOM 775 C SER A 55 -7.509 -6.937 -5.493 1.00 0.11 C ATOM 776 O SER A 55 -7.250 -8.136 -5.521 1.00 0.13 O ATOM 777 CB SER A 55 -6.089 -5.225 -4.353 1.00 0.18 C ATOM 778 OG SER A 55 -5.048 -4.285 -4.497 1.00 0.90 O ATOM 0 H SER A 55 -6.612 -3.925 -6.345 1.00 0.13 H new ATOM 0 HA SER A 55 -5.525 -6.415 -6.056 1.00 0.13 H new ATOM 0 HB2 SER A 55 -6.981 -4.730 -3.969 1.00 0.18 H new ATOM 0 HB3 SER A 55 -5.804 -5.980 -3.620 1.00 0.18 H new ATOM 0 HG SER A 55 -5.384 -3.494 -4.969 1.00 0.90 H new ATOM 784 N ARG A 56 -8.739 -6.474 -5.321 1.00 0.10 N ATOM 785 CA ARG A 56 -9.873 -7.367 -5.109 1.00 0.10 C ATOM 786 C ARG A 56 -10.164 -8.180 -6.370 1.00 0.12 C ATOM 787 O ARG A 56 -10.544 -9.346 -6.296 1.00 0.17 O ATOM 788 CB ARG A 56 -11.093 -6.543 -4.723 1.00 0.11 C ATOM 789 CG ARG A 56 -10.810 -5.530 -3.634 1.00 0.14 C ATOM 790 CD ARG A 56 -11.640 -4.281 -3.839 1.00 0.17 C ATOM 791 NE ARG A 56 -11.368 -3.248 -2.844 1.00 1.28 N ATOM 792 CZ ARG A 56 -11.676 -1.962 -3.007 1.00 1.63 C ATOM 793 NH1 ARG A 56 -12.271 -1.557 -4.123 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -11.403 -1.088 -2.044 1.00 2.73 N ATOM 0 H ARG A 56 -8.979 -5.483 -5.324 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.632 -8.063 -4.306 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.466 -6.023 -5.605 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.885 -7.213 -4.389 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.032 -5.964 -2.659 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.751 -5.273 -3.635 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.445 -3.880 -4.834 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -12.697 -4.544 -3.803 1.00 0.17 H new ATOM 0 HE ARG A 56 -10.916 -3.527 -1.973 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -12.493 -2.231 -4.856 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -12.506 -0.572 -4.247 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -10.958 -1.402 -1.181 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -11.638 -0.103 -2.167 1.00 2.73 H new ATOM 808 N SER A 57 -9.976 -7.551 -7.525 1.00 0.13 N ATOM 809 CA SER A 57 -10.162 -8.207 -8.809 1.00 0.17 C ATOM 810 C SER A 57 -9.083 -9.268 -9.030 1.00 0.18 C ATOM 811 O SER A 57 -9.345 -10.354 -9.548 1.00 0.22 O ATOM 812 CB SER A 57 -10.116 -7.157 -9.919 1.00 0.22 C ATOM 813 OG SER A 57 -10.348 -7.727 -11.197 1.00 0.55 O ATOM 0 H SER A 57 -9.691 -6.574 -7.595 1.00 0.13 H new ATOM 0 HA SER A 57 -11.131 -8.706 -8.823 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.864 -6.389 -9.723 1.00 0.22 H new ATOM 0 HB3 SER A 57 -9.144 -6.664 -9.912 1.00 0.22 H new ATOM 0 HG SER A 57 -10.312 -7.025 -11.880 1.00 0.55 H new ATOM 819 N ARG A 58 -7.872 -8.928 -8.617 1.00 0.18 N ATOM 820 CA ARG A 58 -6.716 -9.807 -8.720 1.00 0.21 C ATOM 821 C ARG A 58 -6.878 -11.015 -7.816 1.00 0.18 C ATOM 822 O ARG A 58 -6.384 -12.107 -8.097 1.00 0.22 O ATOM 823 CB ARG A 58 -5.494 -9.028 -8.284 1.00 0.24 C ATOM 824 CG ARG A 58 -5.305 -7.742 -9.052 1.00 0.27 C ATOM 825 CD ARG A 58 -4.279 -7.886 -10.152 1.00 0.37 C ATOM 826 NE ARG A 58 -4.421 -6.869 -11.190 1.00 1.25 N ATOM 827 CZ ARG A 58 -3.449 -6.521 -12.033 1.00 1.56 C ATOM 828 NH1 ARG A 58 -2.261 -7.112 -11.971 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -3.668 -5.584 -12.947 1.00 2.50 N ATOM 0 H ARG A 58 -7.661 -8.023 -8.196 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.616 -10.154 -9.748 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.576 -8.801 -7.221 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.609 -9.652 -8.409 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -6.258 -7.433 -9.483 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.994 -6.953 -8.367 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -3.279 -7.823 -9.722 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -4.371 -8.874 -10.602 1.00 0.37 H new ATOM 0 HE ARG A 58 -5.320 -6.395 -11.275 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -2.088 -7.837 -11.275 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -1.522 -6.841 -12.619 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -4.580 -5.130 -13.004 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -2.924 -5.317 -13.592 1.00 2.50 H new ATOM 843 N GLY A 59 -7.584 -10.791 -6.724 1.00 0.14 N ATOM 844 CA GLY A 59 -7.801 -11.828 -5.740 1.00 0.15 C ATOM 845 C GLY A 59 -6.903 -11.642 -4.538 1.00 0.18 C ATOM 846 O GLY A 59 -6.673 -12.571 -3.762 1.00 0.24 O ATOM 0 H GLY A 59 -8.017 -9.896 -6.498 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -8.844 -11.818 -5.422 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.614 -12.803 -6.189 1.00 0.15 H new ATOM 850 N TYR A 60 -6.391 -10.428 -4.395 1.00 0.16 N ATOM 851 CA TYR A 60 -5.557 -10.064 -3.267 1.00 0.17 C ATOM 852 C TYR A 60 -6.418 -9.906 -2.023 1.00 0.15 C ATOM 853 O TYR A 60 -6.102 -10.431 -0.955 1.00 0.18 O ATOM 854 CB TYR A 60 -4.837 -8.749 -3.562 1.00 0.16 C ATOM 855 CG TYR A 60 -3.639 -8.872 -4.482 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.614 -8.284 -5.740 1.00 0.27 C ATOM 857 CD2 TYR A 60 -2.546 -9.612 -4.092 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.522 -8.441 -6.576 1.00 0.26 C ATOM 859 CE2 TYR A 60 -1.453 -9.771 -4.904 1.00 0.51 C ATOM 860 CZ TYR A 60 -1.447 -9.006 -6.185 1.00 0.28 C ATOM 861 OH TYR A 60 -0.352 -9.353 -6.977 1.00 0.35 O ATOM 0 H TYR A 60 -6.544 -9.670 -5.060 1.00 0.16 H new ATOM 0 HA TYR A 60 -4.820 -10.849 -3.098 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.549 -8.053 -4.007 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.510 -8.311 -2.619 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -4.458 -7.696 -6.070 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -2.550 -10.081 -3.119 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.582 -8.074 -7.590 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -0.634 -10.420 -4.629 1.00 0.51 H new ATOM 0 HH TYR A 60 0.336 -9.773 -6.419 1.00 0.35 H new ATOM 871 N ILE A 61 -7.518 -9.180 -2.186 1.00 0.12 N ATOM 872 CA ILE A 61 -8.403 -8.849 -1.094 1.00 0.12 C ATOM 873 C ILE A 61 -9.852 -8.881 -1.520 1.00 0.11 C ATOM 874 O ILE A 61 -10.200 -9.299 -2.624 1.00 0.11 O ATOM 875 CB ILE A 61 -8.147 -7.425 -0.618 1.00 0.10 C ATOM 876 CG1 ILE A 61 -8.011 -6.523 -1.844 1.00 0.09 C ATOM 877 CG2 ILE A 61 -6.914 -7.365 0.273 1.00 0.11 C ATOM 878 CD1 ILE A 61 -8.213 -5.058 -1.556 1.00 0.11 C ATOM 0 H ILE A 61 -7.816 -8.806 -3.087 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.211 -9.585 -0.313 1.00 0.12 H new ATOM 0 HB ILE A 61 -8.983 -7.076 -0.012 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -7.021 -6.664 -2.277 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.735 -6.838 -2.595 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.751 -6.338 0.601 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.063 -8.004 1.143 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.044 -7.710 -0.286 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -8.100 -4.487 -2.478 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -9.213 -4.901 -1.152 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.472 -4.725 -0.829 1.00 0.11 H new ATOM 890 N THR A 62 -10.669 -8.404 -0.611 1.00 0.12 N ATOM 891 CA THR A 62 -12.066 -8.141 -0.846 1.00 0.12 C ATOM 892 C THR A 62 -12.416 -6.771 -0.273 1.00 0.13 C ATOM 893 O THR A 62 -11.902 -6.406 0.779 1.00 0.13 O ATOM 894 CB THR A 62 -12.942 -9.221 -0.194 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.182 -10.295 -1.112 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.254 -8.638 0.299 1.00 0.16 C ATOM 0 H THR A 62 -10.370 -8.182 0.339 1.00 0.12 H new ATOM 0 HA THR A 62 -12.255 -8.155 -1.919 1.00 0.12 H new ATOM 0 HB THR A 62 -12.404 -9.615 0.669 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.740 -10.975 -0.681 1.00 0.16 H new ATOM 0 HG21 THR A 62 -14.853 -9.426 0.756 1.00 0.16 H new ATOM 0 HG22 THR A 62 -14.053 -7.861 1.037 1.00 0.16 H new ATOM 0 HG23 THR A 62 -14.799 -8.208 -0.541 1.00 0.16 H new ATOM 904 N GLY A 63 -13.265 -6.030 -0.981 1.00 0.15 N ATOM 905 CA GLY A 63 -13.747 -4.732 -0.526 1.00 0.17 C ATOM 906 C GLY A 63 -12.703 -3.903 0.194 1.00 0.17 C ATOM 907 O GLY A 63 -11.570 -3.756 -0.274 1.00 0.24 O ATOM 0 H GLY A 63 -13.637 -6.314 -1.887 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.112 -4.170 -1.386 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.597 -4.885 0.139 1.00 0.17 H new ATOM 911 N ASP A 64 -13.076 -3.385 1.349 1.00 0.14 N ATOM 912 CA ASP A 64 -12.151 -2.632 2.175 1.00 0.14 C ATOM 913 C ASP A 64 -11.563 -3.524 3.252 1.00 0.11 C ATOM 914 O ASP A 64 -11.009 -3.044 4.234 1.00 0.13 O ATOM 915 CB ASP A 64 -12.814 -1.421 2.821 1.00 0.19 C ATOM 916 CG ASP A 64 -13.083 -0.296 1.847 1.00 1.30 C ATOM 917 OD1 ASP A 64 -12.254 0.636 1.772 1.00 2.21 O ATOM 918 OD2 ASP A 64 -14.111 -0.349 1.137 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.015 -3.472 1.737 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.358 -2.270 1.521 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -13.755 -1.730 3.277 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -12.177 -1.052 3.625 1.00 0.19 H new ATOM 923 N GLN A 65 -11.683 -4.829 3.050 1.00 0.10 N ATOM 924 CA GLN A 65 -11.090 -5.826 3.926 1.00 0.10 C ATOM 925 C GLN A 65 -9.595 -5.920 3.687 1.00 0.08 C ATOM 926 O GLN A 65 -9.020 -6.990 3.725 1.00 0.09 O ATOM 927 CB GLN A 65 -11.713 -7.194 3.719 1.00 0.11 C ATOM 928 CG GLN A 65 -13.199 -7.152 3.448 1.00 0.16 C ATOM 929 CD GLN A 65 -14.034 -7.312 4.691 1.00 0.28 C ATOM 930 OE1 GLN A 65 -14.339 -8.431 5.111 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.433 -6.203 5.272 1.00 0.34 N ATOM 0 H GLN A 65 -12.200 -5.227 2.266 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.281 -5.509 4.951 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.215 -7.688 2.885 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.532 -7.803 4.604 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.448 -6.204 2.971 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.455 -7.942 2.742 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -14.156 -5.299 4.890 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.019 -6.246 6.105 1.00 0.34 H new ATOM 940 N TYR A 66 -8.990 -4.818 3.355 1.00 0.07 N ATOM 941 CA TYR A 66 -7.570 -4.793 3.104 1.00 0.06 C ATOM 942 C TYR A 66 -6.882 -4.061 4.218 1.00 0.05 C ATOM 943 O TYR A 66 -7.522 -3.363 4.994 1.00 0.05 O ATOM 944 CB TYR A 66 -7.250 -4.093 1.797 1.00 0.07 C ATOM 945 CG TYR A 66 -7.640 -2.637 1.782 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.693 -1.643 1.990 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.949 -2.258 1.553 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.047 -0.312 1.966 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.314 -0.929 1.537 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.361 0.035 1.742 1.00 0.09 C ATOM 951 OH TYR A 66 -8.720 1.354 1.693 1.00 0.11 O ATOM 0 H TYR A 66 -9.456 -3.917 3.250 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.222 -5.824 3.043 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.181 -4.176 1.602 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.763 -4.607 0.984 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.665 -1.917 2.173 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.699 -3.016 1.384 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.301 0.453 2.121 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.343 -0.649 1.364 1.00 0.09 H new ATOM 0 HH TYR A 66 -7.919 1.907 1.579 1.00 0.11 H new ATOM 961 N ILE A 67 -5.589 -4.202 4.284 1.00 0.05 N ATOM 962 CA ILE A 67 -4.818 -3.475 5.248 1.00 0.05 C ATOM 963 C ILE A 67 -3.673 -2.776 4.565 1.00 0.05 C ATOM 964 O ILE A 67 -2.710 -3.388 4.155 1.00 0.06 O ATOM 965 CB ILE A 67 -4.274 -4.401 6.344 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.419 -5.001 7.137 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.301 -3.655 7.243 1.00 0.06 C ATOM 968 CD1 ILE A 67 -4.980 -6.031 8.132 1.00 0.07 C ATOM 0 H ILE A 67 -5.046 -4.817 3.678 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.473 -2.741 5.716 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.725 -5.218 5.876 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -5.946 -4.203 7.660 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.131 -5.454 6.447 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.927 -4.329 8.013 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.466 -3.285 6.648 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.811 -2.815 7.713 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.850 -6.418 8.663 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.479 -6.848 7.613 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.291 -5.578 8.845 1.00 0.07 H new ATOM 980 N LEU A 68 -3.789 -1.500 4.434 1.00 0.05 N ATOM 981 CA LEU A 68 -2.770 -0.729 3.771 1.00 0.06 C ATOM 982 C LEU A 68 -1.927 -0.008 4.821 1.00 0.07 C ATOM 983 O LEU A 68 -2.431 0.327 5.887 1.00 0.11 O ATOM 984 CB LEU A 68 -3.447 0.245 2.834 1.00 0.06 C ATOM 985 CG LEU A 68 -2.545 1.270 2.183 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.941 0.713 0.911 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.316 2.541 1.917 1.00 0.10 C ATOM 0 H LEU A 68 -4.581 -0.956 4.776 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.105 -1.368 3.190 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -3.946 -0.323 2.049 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.224 0.772 3.388 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.725 1.506 2.861 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.295 1.464 0.456 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.355 -0.176 1.145 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.737 0.450 0.215 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.659 3.274 1.448 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.153 2.327 1.253 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.693 2.941 2.858 1.00 0.10 H new ATOM 999 N GLU A 69 -0.648 0.199 4.549 1.00 0.07 N ATOM 1000 CA GLU A 69 0.222 0.889 5.505 1.00 0.08 C ATOM 1001 C GLU A 69 1.218 1.789 4.809 1.00 0.08 C ATOM 1002 O GLU A 69 1.693 1.479 3.715 1.00 0.09 O ATOM 1003 CB GLU A 69 0.993 -0.107 6.376 1.00 0.11 C ATOM 1004 CG GLU A 69 0.157 -0.793 7.443 1.00 0.17 C ATOM 1005 CD GLU A 69 0.838 -0.766 8.795 1.00 0.42 C ATOM 1006 OE1 GLU A 69 2.074 -0.959 8.850 1.00 0.93 O ATOM 1007 OE2 GLU A 69 0.139 -0.580 9.812 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.188 -0.094 3.687 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.433 1.495 6.131 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.432 -0.869 5.732 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.818 0.416 6.860 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.814 -0.302 7.515 1.00 0.17 H new ATOM 0 HG3 GLU A 69 -0.029 -1.826 7.150 1.00 0.17 H new ATOM 1014 N ARG A 70 1.508 2.921 5.440 1.00 0.10 N ATOM 1015 CA ARG A 70 2.600 3.766 5.009 1.00 0.10 C ATOM 1016 C ARG A 70 3.921 3.092 5.304 1.00 0.09 C ATOM 1017 O ARG A 70 4.152 2.606 6.410 1.00 0.10 O ATOM 1018 CB ARG A 70 2.553 5.121 5.708 1.00 0.14 C ATOM 1019 CG ARG A 70 1.215 5.811 5.585 1.00 0.40 C ATOM 1020 CD ARG A 70 0.412 5.741 6.872 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.716 6.673 6.854 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.070 7.442 7.886 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -0.339 7.456 8.995 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.144 8.220 7.795 1.00 1.74 N ATOM 0 H ARG A 70 0.998 3.270 6.252 1.00 0.10 H new ATOM 0 HA ARG A 70 2.501 3.926 3.935 1.00 0.10 H new ATOM 0 HB2 ARG A 70 2.788 4.986 6.764 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.326 5.765 5.289 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.370 6.855 5.312 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.644 5.352 4.778 1.00 0.40 H new ATOM 0 HD2 ARG A 70 0.043 4.725 7.017 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.060 5.969 7.719 1.00 0.30 H new ATOM 0 HE ARG A 70 -1.267 6.739 5.998 1.00 0.84 H new ATOM 0 HH11 ARG A 70 0.498 6.877 9.061 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -0.615 8.046 9.780 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.696 8.229 6.937 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -2.416 8.808 8.583 1.00 1.74 H new ATOM 1038 N VAL A 71 4.777 3.072 4.308 1.00 0.07 N ATOM 1039 CA VAL A 71 6.014 2.331 4.388 1.00 0.07 C ATOM 1040 C VAL A 71 7.221 3.211 4.144 1.00 0.07 C ATOM 1041 O VAL A 71 8.040 3.375 5.031 1.00 0.08 O ATOM 1042 CB VAL A 71 6.000 1.191 3.370 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.268 0.367 3.444 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.778 0.322 3.580 1.00 0.11 C ATOM 0 H VAL A 71 4.637 3.565 3.426 1.00 0.07 H new ATOM 0 HA VAL A 71 6.092 1.932 5.399 1.00 0.07 H new ATOM 0 HB VAL A 71 5.954 1.626 2.372 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.224 -0.435 2.707 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.128 1.004 3.237 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.365 -0.062 4.441 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.777 -0.487 2.850 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.798 -0.097 4.586 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.878 0.924 3.455 1.00 0.11 H new ATOM 1054 N ASN A 72 7.330 3.786 2.952 1.00 0.06 N ATOM 1055 CA ASN A 72 8.550 4.491 2.576 1.00 0.07 C ATOM 1056 C ASN A 72 8.264 5.698 1.709 1.00 0.07 C ATOM 1057 O ASN A 72 7.211 5.791 1.085 1.00 0.08 O ATOM 1058 CB ASN A 72 9.452 3.535 1.821 1.00 0.10 C ATOM 1059 CG ASN A 72 10.866 4.035 1.590 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.122 4.829 0.693 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.800 3.524 2.367 1.00 0.14 N ATOM 0 H ASN A 72 6.601 3.779 2.239 1.00 0.06 H new ATOM 0 HA ASN A 72 9.032 4.846 3.487 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.500 2.595 2.370 1.00 0.10 H new ATOM 0 HB3 ASN A 72 8.997 3.317 0.855 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.776 3.787 2.232 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.547 2.865 3.104 1.00 0.14 H new ATOM 1068 N ILE A 73 9.206 6.619 1.677 1.00 0.08 N ATOM 1069 CA ILE A 73 9.132 7.732 0.745 1.00 0.08 C ATOM 1070 C ILE A 73 10.338 7.717 -0.181 1.00 0.09 C ATOM 1071 O ILE A 73 11.462 8.001 0.232 1.00 0.11 O ATOM 1072 CB ILE A 73 9.036 9.112 1.435 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.705 9.280 2.166 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.188 10.214 0.404 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.603 10.579 2.939 1.00 0.10 C ATOM 0 H ILE A 73 10.028 6.622 2.281 1.00 0.08 H new ATOM 0 HA ILE A 73 8.210 7.594 0.181 1.00 0.08 H new ATOM 0 HB ILE A 73 9.839 9.176 2.169 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.892 9.232 1.441 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.568 8.445 2.853 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.120 11.184 0.896 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.158 10.123 -0.086 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.396 10.128 -0.340 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.633 10.633 3.433 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.395 10.620 3.687 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.708 11.420 2.253 1.00 0.10 H new ATOM 1087 N VAL A 74 10.097 7.366 -1.431 1.00 0.10 N ATOM 1088 CA VAL A 74 11.148 7.356 -2.442 1.00 0.13 C ATOM 1089 C VAL A 74 10.892 8.471 -3.435 1.00 0.15 C ATOM 1090 O VAL A 74 9.948 8.390 -4.216 1.00 0.15 O ATOM 1091 CB VAL A 74 11.218 6.016 -3.212 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.295 6.064 -4.286 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.473 4.855 -2.268 1.00 0.24 C ATOM 0 H VAL A 74 9.180 7.082 -1.775 1.00 0.10 H new ATOM 0 HA VAL A 74 12.097 7.495 -1.925 1.00 0.13 H new ATOM 0 HB VAL A 74 10.252 5.862 -3.693 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.325 5.111 -4.814 1.00 0.18 H new ATOM 0 HG12 VAL A 74 12.069 6.863 -4.992 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.263 6.253 -3.822 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.517 3.926 -2.837 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.420 5.009 -1.750 1.00 0.24 H new ATOM 0 HG23 VAL A 74 10.666 4.795 -1.538 1.00 0.24 H new ATOM 1103 N ASN A 75 11.694 9.532 -3.365 1.00 0.20 N ATOM 1104 CA ASN A 75 11.545 10.688 -4.257 1.00 0.25 C ATOM 1105 C ASN A 75 10.231 11.427 -3.963 1.00 0.20 C ATOM 1106 O ASN A 75 9.889 12.427 -4.595 1.00 0.25 O ATOM 1107 CB ASN A 75 11.584 10.176 -5.716 1.00 0.29 C ATOM 1108 CG ASN A 75 10.875 11.059 -6.724 1.00 0.33 C ATOM 1109 OD1 ASN A 75 11.497 11.877 -7.401 1.00 0.39 O ATOM 1110 ND2 ASN A 75 9.558 10.922 -6.804 1.00 0.31 N ATOM 0 H ASN A 75 12.459 9.618 -2.696 1.00 0.20 H new ATOM 0 HA ASN A 75 12.356 11.398 -4.097 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.625 10.068 -6.019 1.00 0.29 H new ATOM 0 HB3 ASN A 75 11.137 9.182 -5.749 1.00 0.29 H new ATOM 0 HD21 ASN A 75 9.022 11.507 -7.445 1.00 0.31 H new ATOM 0 HD22 ASN A 75 9.081 10.231 -6.225 1.00 0.31 H new ATOM 1117 N GLY A 76 9.565 11.017 -2.905 1.00 0.13 N ATOM 1118 CA GLY A 76 8.243 11.529 -2.643 1.00 0.10 C ATOM 1119 C GLY A 76 7.163 10.676 -3.287 1.00 0.09 C ATOM 1120 O GLY A 76 6.019 11.097 -3.396 1.00 0.11 O ATOM 0 H GLY A 76 9.912 10.342 -2.224 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.078 11.571 -1.566 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.169 12.550 -3.017 1.00 0.10 H new ATOM 1124 N ASN A 77 7.528 9.468 -3.701 1.00 0.09 N ATOM 1125 CA ASN A 77 6.591 8.538 -4.326 1.00 0.10 C ATOM 1126 C ASN A 77 5.957 7.638 -3.286 1.00 0.09 C ATOM 1127 O ASN A 77 5.727 6.467 -3.557 1.00 0.10 O ATOM 1128 CB ASN A 77 7.283 7.682 -5.386 1.00 0.14 C ATOM 1129 CG ASN A 77 7.403 8.385 -6.718 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.617 9.273 -7.037 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.374 7.976 -7.509 1.00 0.36 N ATOM 0 H ASN A 77 8.477 9.105 -3.614 1.00 0.09 H new ATOM 0 HA ASN A 77 5.815 9.132 -4.809 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.278 7.409 -5.033 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.726 6.755 -5.518 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.496 8.401 -8.428 1.00 0.36 H new ATOM 0 HD22 ASN A 77 9.004 7.235 -7.202 1.00 0.36 H new ATOM 1138 N GLY A 78 5.680 8.216 -2.117 1.00 0.07 N ATOM 1139 CA GLY A 78 5.308 7.466 -0.910 1.00 0.07 C ATOM 1140 C GLY A 78 4.705 6.103 -1.169 1.00 0.06 C ATOM 1141 O GLY A 78 3.614 5.978 -1.729 1.00 0.08 O ATOM 0 H GLY A 78 5.707 9.226 -1.977 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.195 7.343 -0.288 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.596 8.059 -0.336 1.00 0.07 H new ATOM 1145 N TYR A 79 5.429 5.088 -0.749 1.00 0.06 N ATOM 1146 CA TYR A 79 5.053 3.714 -1.012 1.00 0.05 C ATOM 1147 C TYR A 79 4.212 3.166 0.115 1.00 0.06 C ATOM 1148 O TYR A 79 4.504 3.366 1.299 1.00 0.06 O ATOM 1149 CB TYR A 79 6.285 2.836 -1.236 1.00 0.06 C ATOM 1150 CG TYR A 79 6.932 3.046 -2.590 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.960 2.031 -3.539 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.503 4.266 -2.926 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.532 2.220 -4.765 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.081 4.471 -4.160 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.095 3.441 -5.082 1.00 0.15 C ATOM 1156 OH TYR A 79 8.666 3.630 -6.320 1.00 0.19 O ATOM 0 H TYR A 79 6.293 5.191 -0.217 1.00 0.06 H new ATOM 0 HA TYR A 79 4.459 3.701 -1.926 1.00 0.05 H new ATOM 0 HB2 TYR A 79 7.017 3.043 -0.455 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.999 1.789 -1.136 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.521 1.073 -3.302 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.494 5.071 -2.206 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.544 1.416 -5.486 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.519 5.427 -4.405 1.00 0.15 H new ATOM 0 HH TYR A 79 9.015 4.544 -6.383 1.00 0.19 H new ATOM 1166 N TYR A 80 3.168 2.485 -0.280 1.00 0.07 N ATOM 1167 CA TYR A 80 2.217 1.913 0.636 1.00 0.07 C ATOM 1168 C TYR A 80 2.134 0.424 0.418 1.00 0.09 C ATOM 1169 O TYR A 80 2.093 -0.031 -0.718 1.00 0.13 O ATOM 1170 CB TYR A 80 0.847 2.528 0.402 1.00 0.07 C ATOM 1171 CG TYR A 80 0.660 3.898 0.993 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.216 5.000 0.367 1.00 0.09 C ATOM 1173 CD2 TYR A 80 -0.041 4.094 2.179 1.00 0.09 C ATOM 1174 CE1 TYR A 80 1.086 6.262 0.898 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.181 5.359 2.715 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.245 6.408 2.096 1.00 0.11 C ATOM 1177 OH TYR A 80 0.264 7.698 2.601 1.00 0.16 O ATOM 0 H TYR A 80 2.952 2.310 -1.261 1.00 0.07 H new ATOM 0 HA TYR A 80 2.540 2.116 1.657 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.668 2.584 -0.672 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.090 1.862 0.817 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.762 4.867 -0.555 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.480 3.248 2.686 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.582 7.112 0.453 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.659 5.473 3.677 1.00 0.11 H new ATOM 0 HH TYR A 80 -0.157 8.307 1.959 1.00 0.16 H new ATOM 1187 N ASN A 81 2.100 -0.335 1.485 1.00 0.10 N ATOM 1188 CA ASN A 81 1.936 -1.772 1.338 1.00 0.14 C ATOM 1189 C ASN A 81 0.488 -2.129 1.501 1.00 0.08 C ATOM 1190 O ASN A 81 -0.219 -1.554 2.327 1.00 0.11 O ATOM 1191 CB ASN A 81 2.749 -2.589 2.342 1.00 0.32 C ATOM 1192 CG ASN A 81 4.238 -2.466 2.161 1.00 0.60 C ATOM 1193 OD1 ASN A 81 4.716 -2.053 1.113 1.00 1.56 O ATOM 1194 ND2 ASN A 81 4.983 -2.858 3.176 1.00 0.33 N ATOM 0 H ASN A 81 2.181 0.000 2.445 1.00 0.10 H new ATOM 0 HA ASN A 81 2.304 -2.020 0.343 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.488 -2.271 3.351 1.00 0.32 H new ATOM 0 HB3 ASN A 81 2.467 -3.638 2.255 1.00 0.32 H new ATOM 0 HD21 ASN A 81 6.000 -2.824 3.105 1.00 0.33 H new ATOM 0 HD22 ASN A 81 4.542 -3.196 4.032 1.00 0.33 H new ATOM 1201 N LEU A 82 0.056 -3.077 0.711 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.282 -3.586 0.807 1.00 0.06 C ATOM 1203 C LEU A 82 -1.218 -4.956 1.445 1.00 0.06 C ATOM 1204 O LEU A 82 -0.430 -5.811 1.042 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.904 -3.678 -0.581 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.365 -3.219 -0.697 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.180 -4.225 -1.496 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -3.985 -3.001 0.675 1.00 0.08 C ATOM 0 H LEU A 82 0.623 -3.516 -0.015 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.898 -2.921 1.412 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.302 -3.083 -1.267 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.841 -4.713 -0.917 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.374 -2.265 -1.225 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.212 -3.882 -1.567 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.760 -4.321 -2.497 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.153 -5.194 -0.997 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -5.019 -2.677 0.560 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -3.958 -3.933 1.239 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.423 -2.236 1.211 1.00 0.08 H new ATOM 1220 N TYR A 83 -2.010 -5.124 2.464 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.035 -6.336 3.242 1.00 0.06 C ATOM 1222 C TYR A 83 -3.427 -6.917 3.249 1.00 0.06 C ATOM 1223 O TYR A 83 -4.410 -6.225 2.982 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.610 -6.024 4.678 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.193 -5.536 4.804 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.876 -6.378 4.569 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.069 -4.222 5.160 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.172 -5.927 4.685 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.361 -3.764 5.279 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.408 -4.620 5.042 1.00 0.16 C ATOM 1231 OH TYR A 83 3.696 -4.166 5.172 1.00 0.19 O ATOM 0 H TYR A 83 -2.668 -4.414 2.786 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.348 -7.058 2.801 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.281 -5.270 5.089 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.730 -6.922 5.285 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.693 -7.405 4.290 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.754 -3.548 5.347 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.999 -6.596 4.497 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.550 -2.738 5.557 1.00 0.15 H new ATOM 0 HH TYR A 83 3.695 -3.315 5.658 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.491 -8.194 3.526 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.744 -8.871 3.745 1.00 0.08 C ATOM 1243 C LYS A 84 -5.257 -8.525 5.129 1.00 0.08 C ATOM 1244 O LYS A 84 -4.497 -7.998 5.933 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.517 -10.370 3.612 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.208 -10.791 2.198 1.00 0.10 C ATOM 1247 CD LYS A 84 -3.962 -12.284 2.094 1.00 0.11 C ATOM 1248 CE LYS A 84 -4.007 -12.747 0.655 1.00 0.17 C ATOM 1249 NZ LYS A 84 -3.937 -14.226 0.531 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.672 -8.797 3.606 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.486 -8.558 3.010 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.695 -10.667 4.263 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.405 -10.899 3.958 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.037 -10.513 1.547 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.329 -10.253 1.843 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -2.991 -12.526 2.526 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.712 -12.820 2.675 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -4.926 -12.390 0.190 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.178 -12.300 0.107 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -3.971 -14.492 -0.474 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -3.048 -14.568 0.950 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -4.742 -14.655 1.030 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.529 -8.812 5.442 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.071 -8.575 6.781 1.00 0.09 C ATOM 1265 C PRO A 85 -6.280 -9.312 7.847 1.00 0.10 C ATOM 1266 O PRO A 85 -6.353 -8.991 9.033 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.483 -9.134 6.739 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.823 -9.334 5.299 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.534 -9.349 4.514 1.00 0.10 C ATOM 0 HA PRO A 85 -7.031 -7.515 7.032 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.543 -10.075 7.285 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.185 -8.447 7.211 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.364 -10.270 5.162 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.475 -8.535 4.947 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.277 -10.358 4.192 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.610 -8.738 3.615 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.519 -10.295 7.408 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.714 -11.092 8.309 1.00 0.13 C ATOM 1279 C ASP A 86 -3.335 -10.478 8.436 1.00 0.11 C ATOM 1280 O ASP A 86 -2.511 -10.912 9.233 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.610 -12.517 7.800 1.00 0.20 C ATOM 1282 CG ASP A 86 -3.948 -13.460 8.786 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -2.765 -13.806 8.586 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -4.616 -13.866 9.766 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.442 -10.561 6.426 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.188 -11.110 9.290 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -5.609 -12.887 7.569 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -4.045 -12.522 6.868 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.106 -9.440 7.646 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.838 -8.752 7.652 1.00 0.10 C ATOM 1291 C GLY A 87 -0.898 -9.283 6.587 1.00 0.10 C ATOM 1292 O GLY A 87 0.226 -8.818 6.457 1.00 0.11 O ATOM 0 H GLY A 87 -3.790 -9.059 6.992 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -2.003 -7.687 7.491 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.373 -8.858 8.632 1.00 0.10 H new ATOM 1296 N THR A 88 -1.362 -10.245 5.805 1.00 0.10 N ATOM 1297 CA THR A 88 -0.526 -10.853 4.784 1.00 0.10 C ATOM 1298 C THR A 88 -0.157 -9.857 3.690 1.00 0.08 C ATOM 1299 O THR A 88 -1.029 -9.263 3.058 1.00 0.09 O ATOM 1300 CB THR A 88 -1.223 -12.070 4.166 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.182 -13.176 5.076 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.579 -12.444 2.845 1.00 0.13 C ATOM 0 H THR A 88 -2.309 -10.620 5.858 1.00 0.10 H new ATOM 0 HA THR A 88 0.393 -11.177 5.272 1.00 0.10 H new ATOM 0 HB THR A 88 -2.265 -11.813 3.974 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.631 -13.948 4.673 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.089 -13.310 2.424 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.656 -11.606 2.153 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.471 -12.685 3.008 1.00 0.13 H new ATOM 1310 N TYR A 89 1.143 -9.668 3.503 1.00 0.08 N ATOM 1311 CA TYR A 89 1.661 -8.815 2.444 1.00 0.08 C ATOM 1312 C TYR A 89 1.173 -9.246 1.073 1.00 0.08 C ATOM 1313 O TYR A 89 1.289 -10.407 0.671 1.00 0.11 O ATOM 1314 CB TYR A 89 3.186 -8.821 2.488 1.00 0.09 C ATOM 1315 CG TYR A 89 3.837 -8.017 1.386 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.272 -8.623 0.212 1.00 0.11 C ATOM 1317 CD2 TYR A 89 4.021 -6.647 1.526 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.873 -7.882 -0.787 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.617 -5.903 0.532 1.00 0.15 C ATOM 1320 CZ TYR A 89 5.023 -6.559 -0.657 1.00 0.16 C ATOM 1321 OH TYR A 89 5.640 -5.777 -1.606 1.00 0.20 O ATOM 0 H TYR A 89 1.865 -10.100 4.080 1.00 0.08 H new ATOM 0 HA TYR A 89 1.289 -7.805 2.614 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.513 -8.429 3.451 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.537 -9.851 2.428 1.00 0.09 H new ATOM 0 HD1 TYR A 89 4.138 -9.686 0.080 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.691 -6.157 2.430 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.225 -8.375 -1.681 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.772 -4.841 0.656 1.00 0.15 H new ATOM 0 HH TYR A 89 5.668 -4.848 -1.296 1.00 0.20 H new ATOM 1331 N LEU A 90 0.618 -8.277 0.379 1.00 0.07 N ATOM 1332 CA LEU A 90 0.146 -8.442 -0.975 1.00 0.07 C ATOM 1333 C LEU A 90 1.113 -7.773 -1.946 1.00 0.06 C ATOM 1334 O LEU A 90 1.672 -8.422 -2.829 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.231 -7.811 -1.069 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.278 -8.445 -0.159 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.500 -7.558 -0.071 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.655 -9.826 -0.660 1.00 0.12 C ATOM 0 H LEU A 90 0.480 -7.336 0.748 1.00 0.07 H new ATOM 0 HA LEU A 90 0.087 -9.499 -1.236 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.149 -6.752 -0.826 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.577 -7.875 -2.101 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.853 -8.550 0.839 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.240 -8.022 0.581 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.216 -6.587 0.335 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.926 -7.425 -1.066 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.403 -10.262 0.002 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -3.064 -9.749 -1.668 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.770 -10.462 -0.675 1.00 0.12 H new ATOM 1350 N PHE A 91 1.315 -6.470 -1.763 1.00 0.06 N ATOM 1351 CA PHE A 91 2.269 -5.715 -2.577 1.00 0.06 C ATOM 1352 C PHE A 91 2.600 -4.368 -1.964 1.00 0.05 C ATOM 1353 O PHE A 91 2.016 -3.957 -0.964 1.00 0.07 O ATOM 1354 CB PHE A 91 1.761 -5.476 -4.002 1.00 0.07 C ATOM 1355 CG PHE A 91 0.381 -4.897 -4.109 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.718 -5.713 -4.357 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.174 -3.540 -3.938 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.979 -5.184 -4.433 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.092 -3.007 -4.017 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.162 -3.826 -4.351 1.00 0.13 C ATOM 0 H PHE A 91 0.831 -5.913 -1.058 1.00 0.06 H new ATOM 0 HA PHE A 91 3.165 -6.334 -2.612 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.457 -4.807 -4.509 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.781 -6.424 -4.540 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.575 -6.775 -4.491 1.00 0.12 H new ATOM 0 HD2 PHE A 91 1.015 -2.892 -3.740 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.831 -5.836 -4.558 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.252 -1.957 -3.820 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.134 -3.397 -4.545 1.00 0.13 H new ATOM 1370 N THR A 92 3.546 -3.703 -2.600 1.00 0.05 N ATOM 1371 CA THR A 92 3.904 -2.338 -2.282 1.00 0.05 C ATOM 1372 C THR A 92 3.523 -1.456 -3.451 1.00 0.05 C ATOM 1373 O THR A 92 3.933 -1.704 -4.578 1.00 0.09 O ATOM 1374 CB THR A 92 5.407 -2.181 -2.029 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.841 -3.019 -0.953 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.730 -0.729 -1.738 1.00 0.09 C ATOM 0 H THR A 92 4.093 -4.103 -3.362 1.00 0.05 H new ATOM 0 HA THR A 92 3.374 -2.054 -1.373 1.00 0.05 H new ATOM 0 HB THR A 92 5.942 -2.492 -2.926 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.217 -2.936 -0.202 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.800 -0.623 -1.559 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.442 -0.114 -2.591 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.180 -0.404 -0.855 1.00 0.09 H new ATOM 1384 N LEU A 93 2.742 -0.443 -3.193 1.00 0.05 N ATOM 1385 CA LEU A 93 2.254 0.404 -4.246 1.00 0.05 C ATOM 1386 C LEU A 93 2.833 1.797 -4.132 1.00 0.06 C ATOM 1387 O LEU A 93 3.349 2.203 -3.090 1.00 0.06 O ATOM 1388 CB LEU A 93 0.741 0.439 -4.207 1.00 0.05 C ATOM 1389 CG LEU A 93 0.157 1.225 -3.051 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.210 2.643 -3.492 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.039 0.484 -2.491 1.00 0.06 C ATOM 0 H LEU A 93 2.429 -0.183 -2.258 1.00 0.05 H new ATOM 0 HA LEU A 93 2.573 -0.004 -5.205 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.377 0.867 -5.141 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.368 -0.584 -4.158 1.00 0.05 H new ATOM 0 HG LEU A 93 0.903 1.319 -2.262 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.628 3.190 -2.647 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.683 3.155 -3.850 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.947 2.595 -4.293 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.460 1.049 -1.659 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.793 0.369 -3.270 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.726 -0.500 -2.140 1.00 0.06 H new ATOM 1403 N ASN A 94 2.726 2.508 -5.220 1.00 0.06 N ATOM 1404 CA ASN A 94 3.173 3.875 -5.322 1.00 0.08 C ATOM 1405 C ASN A 94 1.938 4.739 -5.251 1.00 0.09 C ATOM 1406 O ASN A 94 1.063 4.615 -6.083 1.00 0.15 O ATOM 1407 CB ASN A 94 3.846 4.075 -6.678 1.00 0.09 C ATOM 1408 CG ASN A 94 4.706 5.324 -6.800 1.00 0.19 C ATOM 1409 OD1 ASN A 94 5.620 5.373 -7.616 1.00 1.15 O ATOM 1410 ND2 ASN A 94 4.451 6.319 -5.981 1.00 0.87 N ATOM 0 H ASN A 94 2.317 2.147 -6.082 1.00 0.06 H new ATOM 0 HA ASN A 94 3.879 4.126 -4.531 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.467 3.204 -6.889 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.074 4.109 -7.447 1.00 0.09 H new ATOM 0 HD21 ASN A 94 5.021 7.164 -6.012 1.00 0.87 H new ATOM 0 HD22 ASN A 94 3.683 6.246 -5.314 1.00 0.87 H new ATOM 1417 N CYS A 95 1.847 5.585 -4.259 1.00 0.07 N ATOM 1418 CA CYS A 95 0.671 6.411 -4.090 1.00 0.07 C ATOM 1419 C CYS A 95 0.613 7.448 -5.199 1.00 0.08 C ATOM 1420 O CYS A 95 -0.430 7.683 -5.800 1.00 0.10 O ATOM 1421 CB CYS A 95 0.726 7.097 -2.728 1.00 0.09 C ATOM 1422 SG CYS A 95 1.961 8.406 -2.606 1.00 0.18 S ATOM 0 H CYS A 95 2.571 5.723 -3.554 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.224 5.791 -4.141 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.255 7.517 -2.506 1.00 0.09 H new ATOM 0 HB3 CYS A 95 0.932 6.347 -1.964 1.00 0.09 H new ATOM 0 HG CYS A 95 2.309 8.560 -1.363 1.00 0.18 H new ATOM 1428 N LYS A 96 1.772 8.007 -5.496 1.00 0.09 N ATOM 1429 CA LYS A 96 1.894 9.133 -6.392 1.00 0.10 C ATOM 1430 C LYS A 96 1.620 8.744 -7.830 1.00 0.11 C ATOM 1431 O LYS A 96 1.279 9.589 -8.655 1.00 0.17 O ATOM 1432 CB LYS A 96 3.283 9.742 -6.234 1.00 0.10 C ATOM 1433 CG LYS A 96 3.420 10.543 -4.976 1.00 0.11 C ATOM 1434 CD LYS A 96 2.885 11.943 -5.139 1.00 0.18 C ATOM 1435 CE LYS A 96 3.605 12.862 -4.190 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.210 14.281 -4.370 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.662 7.686 -5.116 1.00 0.09 H new ATOM 0 HA LYS A 96 1.141 9.876 -6.129 1.00 0.10 H new ATOM 0 HB2 LYS A 96 4.027 8.946 -6.236 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.496 10.380 -7.092 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.887 10.043 -4.167 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.470 10.587 -4.686 1.00 0.11 H new ATOM 0 HD2 LYS A 96 3.023 12.281 -6.166 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.814 11.961 -4.939 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.397 12.557 -3.164 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.680 12.765 -4.340 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.732 14.875 -3.695 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 3.432 14.583 -5.340 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.189 14.381 -4.201 1.00 0.31 H new ATOM 1450 N THR A 97 1.763 7.465 -8.133 1.00 0.11 N ATOM 1451 CA THR A 97 1.523 6.998 -9.480 1.00 0.11 C ATOM 1452 C THR A 97 0.407 5.963 -9.504 1.00 0.11 C ATOM 1453 O THR A 97 -0.194 5.703 -10.548 1.00 0.12 O ATOM 1454 CB THR A 97 2.807 6.407 -10.068 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.085 5.138 -9.469 1.00 0.11 O ATOM 1456 CG2 THR A 97 3.968 7.353 -9.799 1.00 0.15 C ATOM 0 H THR A 97 2.041 6.741 -7.470 1.00 0.11 H new ATOM 0 HA THR A 97 1.212 7.848 -10.088 1.00 0.11 H new ATOM 0 HB THR A 97 2.677 6.275 -11.142 1.00 0.12 H new ATOM 0 HG1 THR A 97 3.955 4.812 -9.782 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.883 6.934 -10.217 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.766 8.318 -10.263 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.088 7.486 -8.724 1.00 0.15 H new ATOM 1464 N GLY A 98 0.130 5.386 -8.336 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.869 4.349 -8.225 1.00 0.10 C ATOM 1466 C GLY A 98 -0.374 3.035 -8.791 1.00 0.10 C ATOM 1467 O GLY A 98 -1.155 2.124 -9.064 1.00 0.13 O ATOM 0 H GLY A 98 0.589 5.626 -7.458 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.141 4.215 -7.178 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.772 4.656 -8.752 1.00 0.10 H new ATOM 1471 N TYR A 99 0.935 2.955 -8.982 1.00 0.10 N ATOM 1472 CA TYR A 99 1.588 1.744 -9.403 1.00 0.12 C ATOM 1473 C TYR A 99 1.660 0.776 -8.233 1.00 0.09 C ATOM 1474 O TYR A 99 1.438 1.167 -7.094 1.00 0.09 O ATOM 1475 CB TYR A 99 2.993 2.097 -9.878 1.00 0.18 C ATOM 1476 CG TYR A 99 3.621 1.051 -10.746 1.00 0.33 C ATOM 1477 CD1 TYR A 99 3.213 0.899 -12.054 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.615 0.223 -10.259 1.00 0.48 C ATOM 1479 CE1 TYR A 99 3.779 -0.061 -12.869 1.00 0.60 C ATOM 1480 CE2 TYR A 99 5.190 -0.738 -11.059 1.00 0.64 C ATOM 1481 CZ TYR A 99 4.770 -0.880 -12.364 1.00 0.69 C ATOM 1482 OH TYR A 99 5.348 -1.835 -13.165 1.00 0.85 O ATOM 0 H TYR A 99 1.571 3.741 -8.845 1.00 0.10 H new ATOM 0 HA TYR A 99 1.032 1.273 -10.213 1.00 0.12 H new ATOM 0 HB2 TYR A 99 2.954 3.037 -10.429 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.629 2.263 -9.008 1.00 0.18 H new ATOM 0 HD1 TYR A 99 2.439 1.541 -12.447 1.00 0.43 H new ATOM 0 HD2 TYR A 99 4.945 0.332 -9.236 1.00 0.48 H new ATOM 0 HE1 TYR A 99 3.450 -0.171 -13.892 1.00 0.60 H new ATOM 0 HE2 TYR A 99 5.966 -1.378 -10.666 1.00 0.64 H new ATOM 0 HH TYR A 99 6.227 -2.075 -12.805 1.00 0.85 H new ATOM 1492 N PHE A 100 1.968 -0.476 -8.508 1.00 0.10 N ATOM 1493 CA PHE A 100 2.154 -1.454 -7.453 1.00 0.09 C ATOM 1494 C PHE A 100 3.155 -2.514 -7.858 1.00 0.10 C ATOM 1495 O PHE A 100 3.162 -2.989 -8.993 1.00 0.13 O ATOM 1496 CB PHE A 100 0.828 -2.080 -7.017 1.00 0.10 C ATOM 1497 CG PHE A 100 -0.015 -2.612 -8.140 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.880 -1.781 -8.830 1.00 0.13 C ATOM 1499 CD2 PHE A 100 0.069 -3.943 -8.506 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.649 -2.271 -9.869 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.697 -4.439 -9.543 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.589 -3.591 -10.207 1.00 0.20 C ATOM 0 H PHE A 100 2.095 -0.840 -9.452 1.00 0.10 H new ATOM 0 HA PHE A 100 2.559 -0.925 -6.590 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.037 -2.893 -6.321 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.252 -1.333 -6.471 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -0.955 -0.740 -8.554 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.741 -4.602 -7.975 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.300 -1.605 -10.416 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.608 -5.474 -9.839 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.229 -3.980 -10.985 1.00 0.20 H new ATOM 1512 N VAL A 101 3.996 -2.864 -6.907 1.00 0.08 N ATOM 1513 CA VAL A 101 5.106 -3.771 -7.129 1.00 0.09 C ATOM 1514 C VAL A 101 4.835 -5.091 -6.421 1.00 0.10 C ATOM 1515 O VAL A 101 4.224 -5.112 -5.353 1.00 0.12 O ATOM 1516 CB VAL A 101 6.431 -3.158 -6.605 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.452 -1.650 -6.811 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.663 -3.500 -5.142 1.00 0.10 C ATOM 0 H VAL A 101 3.929 -2.524 -5.948 1.00 0.08 H new ATOM 0 HA VAL A 101 5.206 -3.943 -8.201 1.00 0.09 H new ATOM 0 HB VAL A 101 7.244 -3.596 -7.183 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.391 -1.245 -6.435 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.360 -1.427 -7.874 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.620 -1.197 -6.272 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.600 -3.054 -4.808 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.841 -3.109 -4.542 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.714 -4.583 -5.025 1.00 0.10 H new ATOM 1528 N GLY A 102 5.287 -6.185 -6.997 1.00 0.11 N ATOM 1529 CA GLY A 102 4.988 -7.479 -6.425 1.00 0.16 C ATOM 1530 C GLY A 102 6.185 -8.118 -5.754 1.00 0.23 C ATOM 1531 O GLY A 102 7.294 -7.582 -5.787 1.00 0.49 O ATOM 0 H GLY A 102 5.853 -6.205 -7.846 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.184 -7.372 -5.697 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.621 -8.141 -7.209 1.00 0.16 H new ATOM 1535 N ASN A 103 5.950 -9.264 -5.138 1.00 0.28 N ATOM 1536 CA ASN A 103 6.999 -10.021 -4.475 1.00 0.34 C ATOM 1537 C ASN A 103 6.777 -11.511 -4.722 1.00 0.52 C ATOM 1538 O ASN A 103 6.805 -12.330 -3.801 1.00 1.18 O ATOM 1539 CB ASN A 103 6.998 -9.722 -2.981 1.00 0.57 C ATOM 1540 CG ASN A 103 8.171 -10.328 -2.246 1.00 0.56 C ATOM 1541 OD1 ASN A 103 9.251 -10.506 -2.810 1.00 1.18 O ATOM 1542 ND2 ASN A 103 7.967 -10.641 -0.979 1.00 0.52 N ATOM 0 H ASN A 103 5.028 -9.696 -5.083 1.00 0.28 H new ATOM 0 HA ASN A 103 7.969 -9.732 -4.880 1.00 0.34 H new ATOM 0 HB2 ASN A 103 7.006 -8.642 -2.834 1.00 0.57 H new ATOM 0 HB3 ASN A 103 6.072 -10.096 -2.544 1.00 0.57 H new ATOM 0 HD21 ASN A 103 8.722 -11.048 -0.426 1.00 0.52 H new ATOM 0 HD22 ASN A 103 7.055 -10.476 -0.553 1.00 0.52 H new ATOM 1549 N GLY A 104 6.538 -11.854 -5.980 1.00 1.34 N ATOM 1550 CA GLY A 104 6.181 -13.216 -6.327 1.00 1.58 C ATOM 1551 C GLY A 104 7.348 -14.183 -6.270 1.00 1.94 C ATOM 1552 O GLY A 104 7.145 -15.390 -6.137 1.00 2.58 O ATOM 0 H GLY A 104 6.585 -11.211 -6.770 1.00 1.34 H new ATOM 0 HA2 GLY A 104 5.400 -13.562 -5.650 1.00 1.58 H new ATOM 0 HA3 GLY A 104 5.759 -13.227 -7.332 1.00 1.58 H new ATOM 1556 N ALA A 105 8.565 -13.668 -6.372 1.00 2.18 N ATOM 1557 CA ALA A 105 9.747 -14.522 -6.394 1.00 2.72 C ATOM 1558 C ALA A 105 10.784 -14.085 -5.363 1.00 2.38 C ATOM 1559 O ALA A 105 11.895 -14.621 -5.323 1.00 2.80 O ATOM 1560 CB ALA A 105 10.358 -14.529 -7.789 1.00 3.51 C ATOM 0 H ALA A 105 8.761 -12.669 -6.441 1.00 2.18 H new ATOM 0 HA ALA A 105 9.432 -15.532 -6.132 1.00 2.72 H new ATOM 0 HB1 ALA A 105 11.240 -15.169 -7.797 1.00 3.51 H new ATOM 0 HB2 ALA A 105 9.628 -14.909 -8.504 1.00 3.51 H new ATOM 0 HB3 ALA A 105 10.644 -13.514 -8.066 1.00 3.51 H new ATOM 1566 N GLY A 106 10.423 -13.117 -4.530 1.00 2.15 N ATOM 1567 CA GLY A 106 11.345 -12.621 -3.522 1.00 2.11 C ATOM 1568 C GLY A 106 12.428 -11.746 -4.122 1.00 1.71 C ATOM 1569 O GLY A 106 13.486 -11.550 -3.527 1.00 2.30 O ATOM 0 H GLY A 106 9.508 -12.665 -4.533 1.00 2.15 H new ATOM 0 HA2 GLY A 106 10.792 -12.052 -2.774 1.00 2.11 H new ATOM 0 HA3 GLY A 106 11.805 -13.464 -3.006 1.00 2.11 H new ATOM 1573 N HIS A 107 12.153 -11.223 -5.303 1.00 1.52 N ATOM 1574 CA HIS A 107 13.104 -10.403 -6.041 1.00 1.72 C ATOM 1575 C HIS A 107 12.527 -9.002 -6.226 1.00 1.44 C ATOM 1576 O HIS A 107 11.313 -8.812 -6.105 1.00 1.91 O ATOM 1577 CB HIS A 107 13.381 -11.063 -7.403 1.00 2.56 C ATOM 1578 CG HIS A 107 14.353 -10.322 -8.274 1.00 3.15 C ATOM 1579 ND1 HIS A 107 13.981 -9.665 -9.426 1.00 3.92 N ATOM 1580 CD2 HIS A 107 15.688 -10.143 -8.157 1.00 3.70 C ATOM 1581 CE1 HIS A 107 15.044 -9.115 -9.979 1.00 4.69 C ATOM 1582 NE2 HIS A 107 16.091 -9.389 -9.230 1.00 4.59 N ATOM 0 H HIS A 107 11.262 -11.354 -5.781 1.00 1.52 H new ATOM 0 HA HIS A 107 14.041 -10.321 -5.491 1.00 1.72 H new ATOM 0 HB2 HIS A 107 13.762 -12.070 -7.232 1.00 2.56 H new ATOM 0 HB3 HIS A 107 12.438 -11.165 -7.940 1.00 2.56 H new ATOM 0 HD2 HIS A 107 16.319 -10.522 -7.367 1.00 3.70 H new ATOM 0 HE1 HIS A 107 15.054 -8.538 -10.892 1.00 4.69 H new ATOM 0 HE2 HIS A 107 17.048 -9.089 -9.417 1.00 4.59 H new ATOM 1591 N ALA A 108 13.390 -8.020 -6.473 1.00 0.96 N ATOM 1592 CA ALA A 108 12.935 -6.680 -6.816 1.00 0.74 C ATOM 1593 C ALA A 108 12.188 -6.704 -8.118 1.00 0.74 C ATOM 1594 O ALA A 108 12.772 -6.603 -9.197 1.00 0.95 O ATOM 1595 CB ALA A 108 14.085 -5.704 -6.923 1.00 0.75 C ATOM 0 H ALA A 108 14.404 -8.128 -6.442 1.00 0.96 H new ATOM 0 HA ALA A 108 12.277 -6.348 -6.013 1.00 0.74 H new ATOM 0 HB1 ALA A 108 13.702 -4.717 -7.180 1.00 0.75 H new ATOM 0 HB2 ALA A 108 14.608 -5.652 -5.968 1.00 0.75 H new ATOM 0 HB3 ALA A 108 14.775 -6.038 -7.698 1.00 0.75 H new ATOM 1601 N ASP A 109 10.895 -6.857 -7.996 1.00 0.65 N ATOM 1602 CA ASP A 109 10.006 -6.853 -9.125 1.00 0.72 C ATOM 1603 C ASP A 109 10.111 -5.532 -9.877 1.00 0.71 C ATOM 1604 O ASP A 109 10.520 -5.486 -11.036 1.00 0.84 O ATOM 1605 CB ASP A 109 8.592 -7.079 -8.609 1.00 0.74 C ATOM 1606 CG ASP A 109 7.570 -7.324 -9.706 1.00 1.42 C ATOM 1607 OD1 ASP A 109 6.382 -7.540 -9.375 1.00 2.21 O ATOM 1608 OD2 ASP A 109 7.946 -7.330 -10.894 1.00 1.59 O1- ATOM 0 H ASP A 109 10.426 -6.989 -7.100 1.00 0.65 H new ATOM 0 HA ASP A 109 10.273 -7.646 -9.824 1.00 0.72 H new ATOM 0 HB2 ASP A 109 8.595 -7.932 -7.931 1.00 0.74 H new ATOM 0 HB3 ASP A 109 8.285 -6.210 -8.027 1.00 0.74 H new ATOM 1613 N ASP A 110 9.771 -4.458 -9.190 1.00 0.62 N ATOM 1614 CA ASP A 110 9.757 -3.129 -9.790 1.00 0.66 C ATOM 1615 C ASP A 110 10.749 -2.218 -9.109 1.00 0.64 C ATOM 1616 O ASP A 110 10.881 -1.046 -9.459 1.00 0.78 O ATOM 1617 CB ASP A 110 8.374 -2.514 -9.668 1.00 0.68 C ATOM 1618 CG ASP A 110 7.344 -3.226 -10.517 1.00 1.43 C ATOM 1619 OD1 ASP A 110 7.320 -2.998 -11.740 1.00 1.49 O ATOM 1620 OD2 ASP A 110 6.547 -4.014 -9.960 1.00 2.37 O1- ATOM 0 H ASP A 110 9.498 -4.477 -8.207 1.00 0.62 H new ATOM 0 HA ASP A 110 10.029 -3.237 -10.840 1.00 0.66 H new ATOM 0 HB2 ASP A 110 8.060 -2.539 -8.625 1.00 0.68 H new ATOM 0 HB3 ASP A 110 8.419 -1.465 -9.962 1.00 0.68 H new ATOM 1625 N LEU A 111 11.439 -2.761 -8.131 1.00 0.56 N ATOM 1626 CA LEU A 111 12.216 -1.947 -7.223 1.00 0.60 C ATOM 1627 C LEU A 111 13.565 -1.589 -7.812 1.00 0.75 C ATOM 1628 O LEU A 111 14.055 -2.230 -8.744 1.00 0.81 O ATOM 1629 CB LEU A 111 12.394 -2.646 -5.879 1.00 0.58 C ATOM 1630 CG LEU A 111 11.118 -2.868 -5.062 1.00 0.47 C ATOM 1631 CD1 LEU A 111 10.203 -1.660 -5.117 1.00 0.51 C ATOM 1632 CD2 LEU A 111 10.383 -4.102 -5.541 1.00 0.55 C ATOM 0 H LEU A 111 11.478 -3.763 -7.944 1.00 0.56 H new ATOM 0 HA LEU A 111 11.662 -1.022 -7.063 1.00 0.60 H new ATOM 0 HB2 LEU A 111 12.862 -3.615 -6.055 1.00 0.58 H new ATOM 0 HB3 LEU A 111 13.089 -2.061 -5.277 1.00 0.58 H new ATOM 0 HG LEU A 111 11.417 -3.016 -4.024 1.00 0.47 H new ATOM 0 HD11 LEU A 111 9.308 -1.854 -4.526 1.00 0.51 H new ATOM 0 HD12 LEU A 111 10.723 -0.791 -4.713 1.00 0.51 H new ATOM 0 HD13 LEU A 111 9.919 -1.465 -6.151 1.00 0.51 H new ATOM 0 HD21 LEU A 111 9.480 -4.241 -4.947 1.00 0.55 H new ATOM 0 HD22 LEU A 111 10.112 -3.980 -6.590 1.00 0.55 H new ATOM 0 HD23 LEU A 111 11.027 -4.975 -5.431 1.00 0.55 H new ATOM 1644 N ASP A 112 14.155 -0.569 -7.231 1.00 0.86 N ATOM 1645 CA ASP A 112 15.353 0.053 -7.765 1.00 1.05 C ATOM 1646 C ASP A 112 16.207 0.616 -6.641 1.00 1.03 C ATOM 1647 O ASP A 112 17.437 0.614 -6.712 1.00 1.16 O ATOM 1648 CB ASP A 112 14.932 1.180 -8.704 1.00 1.26 C ATOM 1649 CG ASP A 112 16.099 1.979 -9.251 1.00 1.52 C ATOM 1650 OD1 ASP A 112 16.666 1.579 -10.289 1.00 1.68 O ATOM 1651 OD2 ASP A 112 16.438 3.028 -8.661 1.00 1.61 O1- ATOM 0 H ASP A 112 13.817 -0.142 -6.368 1.00 0.86 H new ATOM 0 HA ASP A 112 15.942 -0.690 -8.303 1.00 1.05 H new ATOM 0 HB2 ASP A 112 14.369 0.758 -9.536 1.00 1.26 H new ATOM 0 HB3 ASP A 112 14.259 1.853 -8.173 1.00 1.26 H new ATOM 1656 N TYR A 113 15.528 1.087 -5.604 1.00 0.96 N ATOM 1657 CA TYR A 113 16.167 1.768 -4.494 1.00 1.04 C ATOM 1658 C TYR A 113 17.222 0.886 -3.820 1.00 1.23 C ATOM 1659 O TYR A 113 18.359 1.369 -3.630 1.00 1.72 O ATOM 1660 CB TYR A 113 15.103 2.233 -3.495 1.00 0.90 C ATOM 1661 CG TYR A 113 14.533 1.143 -2.614 1.00 1.26 C ATOM 1662 CD1 TYR A 113 14.860 1.096 -1.264 1.00 2.09 C ATOM 1663 CD2 TYR A 113 13.680 0.163 -3.121 1.00 1.41 C ATOM 1664 CE1 TYR A 113 14.361 0.109 -0.443 1.00 2.87 C ATOM 1665 CE2 TYR A 113 13.175 -0.825 -2.299 1.00 2.14 C ATOM 1666 CZ TYR A 113 13.520 -0.847 -0.962 1.00 2.88 C ATOM 1667 OH TYR A 113 13.024 -1.831 -0.144 1.00 3.71 O ATOM 1668 OXT TYR A 113 16.927 -0.292 -3.515 1.00 1.79 O ATOM 0 H TYR A 113 14.515 1.006 -5.512 1.00 0.96 H new ATOM 0 HA TYR A 113 16.693 2.642 -4.879 1.00 1.04 H new ATOM 0 HB2 TYR A 113 15.536 3.004 -2.858 1.00 0.90 H new ATOM 0 HB3 TYR A 113 14.286 2.697 -4.047 1.00 0.90 H new ATOM 0 HD1 TYR A 113 15.517 1.847 -0.851 1.00 2.09 H new ATOM 0 HD2 TYR A 113 13.412 0.177 -4.167 1.00 1.41 H new ATOM 0 HE1 TYR A 113 14.629 0.086 0.603 1.00 2.87 H new ATOM 0 HE2 TYR A 113 12.513 -1.578 -2.700 1.00 2.14 H new ATOM 0 HH TYR A 113 12.371 -2.369 -0.639 1.00 3.71 H new TER 1678 TYR A 113