USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 916 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: B 206 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.44) USER MOD Set 1.2: B 207 SER OG : rot 180:sc= -0.0376 USER MOD Set 2.1: A 84 GLN : amide:sc= -1.38! X(o=-0.83!,f=-0.92) USER MOD Set 2.2: A 87 CYS SG : rot 103:sc= 0.55 USER MOD Set 3.1: A 7 MET CE :methyl -136:sc= 0 (180deg=-0.0423) USER MOD Set 3.2: A 39 ASN : amide:sc= 0.317 K(o=0.93,f=-4.6!) USER MOD Set 3.3: A 40 SER OG : rot 69:sc= 0.614 USER MOD Set 4.1: A 26 ASN : amide:sc= -0.667 K(o=-0.3,f=-2.4) USER MOD Set 4.2: B 208 HIS : no HE2:sc= 0.367 K(o=-0.3,f=-4.6!) USER MOD Set 5.1: A 24 HIS : no HE2:sc= 0.945 K(o=0.94,f=-7.2!) USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 3 LYS NZ :NH3+ 165:sc= 2.3 (180deg=0.431) USER MOD Set 6.2: A 9 GLN : amide:sc= 1.45 K(o=3.7,f=-3.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.085 (180deg=-0.132) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -140:sc= 0.0517 USER MOD Single : A 19 SER OG : rot 134:sc= 1.21 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 80:sc= -0.136 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.96) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 49 GLN : amide:sc= 0.893 K(o=0.89,f=-0.031) USER MOD Single : A 55 THR OG1 : rot 139:sc= -1.62! USER MOD Single : A 62 GLN : amide:sc= -0.21 K(o=-0.21,f=-3.7!) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0603 (180deg=-0.321) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 2.43 (180deg=2.34) USER MOD Single : A 69 LYS NZ :NH3+ 140:sc= 1.87 (180deg=-1.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.14) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -156:sc= -2.29! USER MOD Single : A 79 SER OG : rot -97:sc= 0.0911 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6.4!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 158:sc= -0.225 (180deg=-0.927) USER MOD Single : A 96 SER OG : rot 127:sc= 0.952 USER MOD Single : A 97 ASN : amide:sc= 0.647 K(o=0.65,f=0) USER MOD Single : B 192 TYR OH : rot 180:sc= 0.88 USER MOD Single : B 196 ASN : amide:sc= 0.0155 X(o=0.016,f=0) USER MOD Single : B 199 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0171) USER MOD Single : B 201 LYS NZ :NH3+ -167:sc= -0.037 (180deg=-0.272) USER MOD Single : B 204 MET CE :methyl 155:sc= -0.0586 (180deg=-0.858) USER MOD Single : B 205 THR OG1 : rot 180:sc= -0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.365 -13.772 -11.007 1.00 1.79 N ATOM 2 CA MET A 1 -4.024 -12.549 -10.242 1.00 1.50 C ATOM 3 C MET A 1 -5.213 -11.594 -10.164 1.00 1.45 C ATOM 4 O MET A 1 -5.056 -10.429 -9.794 1.00 2.06 O ATOM 5 CB MET A 1 -2.831 -11.829 -10.885 1.00 1.78 C ATOM 6 CG MET A 1 -3.148 -11.196 -12.234 1.00 2.07 C ATOM 7 SD MET A 1 -1.909 -9.986 -12.741 1.00 2.89 S ATOM 8 CE MET A 1 -2.607 -9.428 -14.295 1.00 2.97 C ATOM 0 H1 MET A 1 -3.515 -14.362 -11.115 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.096 -14.308 -10.497 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.723 -13.505 -11.946 1.00 1.79 H new ATOM 0 HA MET A 1 -3.759 -12.857 -9.231 1.00 1.50 H new ATOM 0 HB2 MET A 1 -2.477 -11.054 -10.205 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.015 -12.540 -11.011 1.00 1.78 H new ATOM 0 HG2 MET A 1 -3.218 -11.978 -12.990 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.124 -10.712 -12.184 1.00 2.07 H new ATOM 0 HE1 MET A 1 -1.956 -8.674 -14.737 1.00 2.97 H new ATOM 0 HE2 MET A 1 -2.698 -10.273 -14.977 1.00 2.97 H new ATOM 0 HE3 MET A 1 -3.592 -8.997 -14.117 1.00 2.97 H new ATOM 20 N ALA A 2 -6.402 -12.079 -10.503 1.00 1.41 N ATOM 21 CA ALA A 2 -7.598 -11.246 -10.472 1.00 1.47 C ATOM 22 C ALA A 2 -8.116 -11.085 -9.047 1.00 1.31 C ATOM 23 O ALA A 2 -9.109 -11.704 -8.656 1.00 1.40 O ATOM 24 CB ALA A 2 -8.679 -11.827 -11.376 1.00 1.83 C ATOM 0 H ALA A 2 -6.563 -13.041 -10.801 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.331 -10.257 -10.846 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.564 -11.192 -11.340 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.309 -11.876 -12.400 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.938 -12.830 -11.035 1.00 1.83 H new ATOM 30 N LYS A 3 -7.427 -10.267 -8.265 1.00 1.21 N ATOM 31 CA LYS A 3 -7.830 -10.024 -6.894 1.00 1.10 C ATOM 32 C LYS A 3 -9.029 -9.084 -6.867 1.00 1.05 C ATOM 33 O LYS A 3 -8.888 -7.870 -6.713 1.00 1.21 O ATOM 34 CB LYS A 3 -6.670 -9.452 -6.073 1.00 1.11 C ATOM 35 CG LYS A 3 -6.895 -9.563 -4.571 1.00 1.22 C ATOM 36 CD LYS A 3 -5.632 -9.304 -3.768 1.00 1.18 C ATOM 37 CE LYS A 3 -5.876 -9.484 -2.271 1.00 1.23 C ATOM 38 NZ LYS A 3 -6.252 -10.884 -1.919 1.00 1.47 N ATOM 0 H LYS A 3 -6.590 -9.763 -8.558 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.117 -10.973 -6.441 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -5.752 -9.976 -6.337 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -6.527 -8.404 -6.337 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.664 -8.852 -4.270 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -7.272 -10.559 -4.337 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -4.846 -9.985 -4.094 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.278 -8.292 -3.961 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -4.976 -9.204 -1.723 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -6.668 -8.807 -1.951 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.160 -11.021 -0.892 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.236 -11.061 -2.205 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.623 -11.547 -2.414 1.00 1.47 H new ATOM 52 N THR A 4 -10.201 -9.661 -7.074 1.00 1.06 N ATOM 53 CA THR A 4 -11.444 -8.916 -7.074 1.00 1.06 C ATOM 54 C THR A 4 -12.520 -9.708 -6.336 1.00 1.13 C ATOM 55 O THR A 4 -13.085 -9.242 -5.342 1.00 1.27 O ATOM 56 CB THR A 4 -11.906 -8.623 -8.515 1.00 1.12 C ATOM 57 OG1 THR A 4 -10.805 -8.113 -9.284 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.049 -7.618 -8.532 1.00 1.23 C ATOM 0 H THR A 4 -10.315 -10.660 -7.247 1.00 1.06 H new ATOM 0 HA THR A 4 -11.278 -7.966 -6.565 1.00 1.06 H new ATOM 0 HB THR A 4 -12.262 -9.555 -8.954 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.103 -7.930 -10.200 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.354 -7.431 -9.562 1.00 1.23 H new ATOM 0 HG22 THR A 4 -13.893 -8.018 -7.971 1.00 1.23 H new ATOM 0 HG23 THR A 4 -12.719 -6.684 -8.076 1.00 1.23 H new ATOM 66 N GLU A 5 -12.782 -10.917 -6.819 1.00 1.20 N ATOM 67 CA GLU A 5 -13.770 -11.790 -6.205 1.00 1.33 C ATOM 68 C GLU A 5 -13.130 -12.541 -5.050 1.00 1.31 C ATOM 69 O GLU A 5 -12.309 -13.432 -5.263 1.00 1.58 O ATOM 70 CB GLU A 5 -14.319 -12.775 -7.235 1.00 1.56 C ATOM 71 CG GLU A 5 -14.867 -12.109 -8.484 1.00 1.73 C ATOM 72 CD GLU A 5 -15.994 -11.146 -8.181 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.998 -11.574 -7.574 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.880 -9.959 -8.551 1.00 2.15 O ATOM 0 H GLU A 5 -12.321 -11.314 -7.637 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.598 -11.188 -5.830 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -13.527 -13.467 -7.521 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -15.109 -13.367 -6.773 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -14.063 -11.574 -8.989 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -15.223 -12.874 -9.173 1.00 1.73 H new ATOM 81 N GLU A 6 -13.489 -12.167 -3.831 1.00 1.20 N ATOM 82 CA GLU A 6 -12.929 -12.797 -2.645 1.00 1.19 C ATOM 83 C GLU A 6 -13.717 -12.382 -1.405 1.00 1.14 C ATOM 84 O GLU A 6 -14.549 -13.141 -0.908 1.00 1.26 O ATOM 85 CB GLU A 6 -11.458 -12.389 -2.507 1.00 1.16 C ATOM 86 CG GLU A 6 -10.632 -13.297 -1.619 1.00 1.41 C ATOM 87 CD GLU A 6 -9.155 -12.995 -1.726 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.791 -11.801 -1.785 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.351 -13.946 -1.761 1.00 1.64 O ATOM 0 H GLU A 6 -14.166 -11.429 -3.637 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.994 -13.881 -2.742 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.007 -12.364 -3.499 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.412 -11.375 -2.111 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.952 -13.182 -0.583 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.811 -14.336 -1.895 1.00 1.41 H new ATOM 96 N MET A 7 -13.449 -11.164 -0.931 1.00 1.05 N ATOM 97 CA MET A 7 -14.110 -10.600 0.247 1.00 1.09 C ATOM 98 C MET A 7 -13.873 -11.461 1.488 1.00 1.12 C ATOM 99 O MET A 7 -14.664 -11.445 2.430 1.00 1.32 O ATOM 100 CB MET A 7 -15.611 -10.427 0.001 1.00 1.22 C ATOM 101 CG MET A 7 -15.933 -9.486 -1.151 1.00 1.44 C ATOM 102 SD MET A 7 -17.662 -8.969 -1.169 1.00 1.75 S ATOM 103 CE MET A 7 -17.674 -7.732 0.129 1.00 2.16 C ATOM 0 H MET A 7 -12.764 -10.538 -1.355 1.00 1.05 H new ATOM 0 HA MET A 7 -13.671 -9.619 0.428 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.052 -11.403 -0.203 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.079 -10.049 0.910 1.00 1.22 H new ATOM 0 HG2 MET A 7 -15.296 -8.604 -1.083 1.00 1.44 H new ATOM 0 HG3 MET A 7 -15.696 -9.979 -2.094 1.00 1.44 H new ATOM 0 HE1 MET A 7 -18.554 -7.872 0.757 1.00 2.16 H new ATOM 0 HE2 MET A 7 -16.774 -7.833 0.736 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.701 -6.738 -0.316 1.00 2.16 H new ATOM 113 N VAL A 8 -12.771 -12.204 1.484 1.00 1.13 N ATOM 114 CA VAL A 8 -12.422 -13.067 2.609 1.00 1.22 C ATOM 115 C VAL A 8 -10.943 -12.923 2.967 1.00 1.14 C ATOM 116 O VAL A 8 -10.145 -13.842 2.781 1.00 1.34 O ATOM 117 CB VAL A 8 -12.758 -14.557 2.340 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.235 -14.829 2.601 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.390 -14.954 0.918 1.00 1.49 C ATOM 0 H VAL A 8 -12.103 -12.226 0.714 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.030 -12.740 3.452 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.165 -15.163 3.025 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.451 -15.880 2.407 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.470 -14.596 3.640 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.841 -14.206 1.943 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.637 -16.004 0.758 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.948 -14.338 0.212 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.321 -14.805 0.764 1.00 1.49 H new ATOM 129 N GLN A 9 -10.579 -11.748 3.453 1.00 0.97 N ATOM 130 CA GLN A 9 -9.205 -11.478 3.849 1.00 0.93 C ATOM 131 C GLN A 9 -9.129 -11.045 5.317 1.00 0.91 C ATOM 132 O GLN A 9 -9.255 -11.876 6.216 1.00 0.98 O ATOM 133 CB GLN A 9 -8.597 -10.416 2.934 1.00 0.89 C ATOM 134 CG GLN A 9 -8.502 -10.858 1.482 1.00 1.00 C ATOM 135 CD GLN A 9 -7.332 -11.788 1.227 1.00 1.20 C ATOM 136 OE1 GLN A 9 -6.260 -11.352 0.806 1.00 1.49 O ATOM 137 NE2 GLN A 9 -7.523 -13.073 1.487 1.00 1.43 N ATOM 0 H GLN A 9 -11.217 -10.963 3.583 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.628 -12.397 3.748 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.198 -9.509 2.992 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.601 -10.162 3.295 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.427 -11.359 1.198 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -8.407 -9.979 0.845 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -8.427 -13.394 1.835 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -6.767 -13.741 1.339 1.00 1.43 H new ATOM 146 N THR A 10 -8.949 -9.753 5.568 1.00 0.91 N ATOM 147 CA THR A 10 -8.856 -9.250 6.935 1.00 0.91 C ATOM 148 C THR A 10 -10.203 -8.732 7.438 1.00 0.88 C ATOM 149 O THR A 10 -10.770 -7.794 6.878 1.00 0.82 O ATOM 150 CB THR A 10 -7.806 -8.129 7.042 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.673 -8.446 6.220 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.358 -7.945 8.484 1.00 0.96 C ATOM 0 H THR A 10 -8.865 -9.037 4.847 1.00 0.91 H new ATOM 0 HA THR A 10 -8.550 -10.089 7.560 1.00 0.91 H new ATOM 0 HB THR A 10 -8.258 -7.198 6.698 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.008 -7.730 6.289 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.616 -7.148 8.536 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.217 -7.682 9.101 1.00 0.96 H new ATOM 0 HG23 THR A 10 -6.919 -8.873 8.850 1.00 0.96 H new ATOM 160 N GLU A 11 -10.705 -9.352 8.500 1.00 0.99 N ATOM 161 CA GLU A 11 -11.989 -8.974 9.088 1.00 1.04 C ATOM 162 C GLU A 11 -11.825 -7.814 10.072 1.00 1.02 C ATOM 163 O GLU A 11 -10.763 -7.643 10.677 1.00 1.03 O ATOM 164 CB GLU A 11 -12.600 -10.178 9.812 1.00 1.19 C ATOM 165 CG GLU A 11 -14.024 -9.953 10.298 1.00 1.29 C ATOM 166 CD GLU A 11 -15.062 -10.468 9.323 1.00 1.51 C ATOM 167 OE1 GLU A 11 -14.919 -10.230 8.110 1.00 1.89 O ATOM 168 OE2 GLU A 11 -16.019 -11.137 9.764 1.00 1.58 O ATOM 0 H GLU A 11 -10.240 -10.125 8.976 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.650 -8.651 8.284 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -12.588 -11.037 9.141 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -11.972 -10.432 10.666 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -14.158 -10.448 11.260 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -14.183 -8.887 10.463 1.00 1.29 H new ATOM 175 N GLU A 12 -12.881 -7.021 10.214 1.00 1.07 N ATOM 176 CA GLU A 12 -12.891 -5.890 11.132 1.00 1.10 C ATOM 177 C GLU A 12 -14.310 -5.700 11.670 1.00 1.22 C ATOM 178 O GLU A 12 -15.093 -6.652 11.698 1.00 1.54 O ATOM 179 CB GLU A 12 -12.402 -4.616 10.431 1.00 1.07 C ATOM 180 CG GLU A 12 -11.636 -3.671 11.349 1.00 1.18 C ATOM 181 CD GLU A 12 -12.325 -2.333 11.533 1.00 1.74 C ATOM 182 OE1 GLU A 12 -13.528 -2.224 11.205 1.00 2.22 O ATOM 183 OE2 GLU A 12 -11.670 -1.389 12.021 1.00 2.23 O ATOM 0 H GLU A 12 -13.752 -7.144 9.697 1.00 1.07 H new ATOM 0 HA GLU A 12 -12.212 -6.091 11.961 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.762 -4.895 9.594 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.260 -4.088 10.014 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.508 -4.144 12.323 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -10.639 -3.506 10.941 1.00 1.18 H new ATOM 190 N MET A 13 -14.644 -4.486 12.088 1.00 1.20 N ATOM 191 CA MET A 13 -15.970 -4.199 12.615 1.00 1.31 C ATOM 192 C MET A 13 -16.904 -3.802 11.480 1.00 1.28 C ATOM 193 O MET A 13 -18.081 -4.169 11.466 1.00 1.46 O ATOM 194 CB MET A 13 -15.908 -3.092 13.673 1.00 1.40 C ATOM 195 CG MET A 13 -15.295 -3.543 14.987 1.00 1.63 C ATOM 196 SD MET A 13 -15.359 -2.268 16.258 1.00 1.83 S ATOM 197 CE MET A 13 -14.696 -3.162 17.662 1.00 2.25 C ATOM 0 H MET A 13 -14.014 -3.684 12.072 1.00 1.20 H new ATOM 0 HA MET A 13 -16.357 -5.099 13.093 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.329 -2.256 13.279 1.00 1.40 H new ATOM 0 HB3 MET A 13 -16.916 -2.722 13.860 1.00 1.40 H new ATOM 0 HG2 MET A 13 -15.819 -4.431 15.342 1.00 1.63 H new ATOM 0 HG3 MET A 13 -14.257 -3.831 14.819 1.00 1.63 H new ATOM 0 HE1 MET A 13 -14.671 -2.506 18.532 1.00 2.25 H new ATOM 0 HE2 MET A 13 -15.328 -4.024 17.876 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.685 -3.501 17.433 1.00 2.25 H new ATOM 207 N GLU A 14 -16.379 -3.047 10.525 1.00 1.19 N ATOM 208 CA GLU A 14 -17.168 -2.628 9.377 1.00 1.18 C ATOM 209 C GLU A 14 -16.637 -3.274 8.105 1.00 1.09 C ATOM 210 O GLU A 14 -17.408 -3.695 7.246 1.00 1.18 O ATOM 211 CB GLU A 14 -17.168 -1.109 9.224 1.00 1.19 C ATOM 212 CG GLU A 14 -18.192 -0.622 8.211 1.00 1.29 C ATOM 213 CD GLU A 14 -17.967 0.809 7.781 1.00 1.54 C ATOM 214 OE1 GLU A 14 -17.425 1.595 8.584 1.00 2.13 O ATOM 215 OE2 GLU A 14 -18.342 1.155 6.640 1.00 2.02 O ATOM 0 H GLU A 14 -15.415 -2.714 10.523 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.194 -2.953 9.546 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.373 -0.650 10.191 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.175 -0.779 8.919 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.161 -1.268 7.333 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.190 -0.714 8.640 1.00 1.29 H new ATOM 222 N THR A 15 -15.317 -3.343 7.994 1.00 0.98 N ATOM 223 CA THR A 15 -14.673 -3.946 6.838 1.00 0.90 C ATOM 224 C THR A 15 -15.107 -5.408 6.682 1.00 0.94 C ATOM 225 O THR A 15 -14.872 -6.230 7.573 1.00 0.98 O ATOM 226 CB THR A 15 -13.144 -3.865 6.970 1.00 0.84 C ATOM 227 OG1 THR A 15 -12.783 -2.642 7.630 1.00 0.83 O ATOM 228 CG2 THR A 15 -12.483 -3.920 5.606 1.00 0.91 C ATOM 0 H THR A 15 -14.669 -2.986 8.696 1.00 0.98 H new ATOM 0 HA THR A 15 -14.979 -3.392 5.951 1.00 0.90 H new ATOM 0 HB THR A 15 -12.800 -4.717 7.557 1.00 0.84 H new ATOM 0 HG1 THR A 15 -11.985 -2.264 7.205 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.401 -3.861 5.723 1.00 0.91 H new ATOM 0 HG22 THR A 15 -12.744 -4.856 5.113 1.00 0.91 H new ATOM 0 HG23 THR A 15 -12.828 -3.082 5.000 1.00 0.91 H new ATOM 236 N PRO A 16 -15.743 -5.745 5.545 1.00 0.97 N ATOM 237 CA PRO A 16 -16.236 -7.100 5.278 1.00 1.04 C ATOM 238 C PRO A 16 -15.133 -8.060 4.844 1.00 0.96 C ATOM 239 O PRO A 16 -15.211 -8.665 3.774 1.00 0.96 O ATOM 240 CB PRO A 16 -17.239 -6.882 4.144 1.00 1.12 C ATOM 241 CG PRO A 16 -16.731 -5.688 3.409 1.00 1.07 C ATOM 242 CD PRO A 16 -16.025 -4.825 4.424 1.00 0.98 C ATOM 0 HA PRO A 16 -16.662 -7.562 6.169 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.294 -7.754 3.492 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.243 -6.710 4.532 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.049 -5.985 2.612 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -17.551 -5.143 2.941 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.108 -4.400 4.017 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -16.650 -3.990 4.741 1.00 0.98 H new ATOM 250 N ARG A 17 -14.116 -8.198 5.692 1.00 0.95 N ATOM 251 CA ARG A 17 -12.982 -9.080 5.426 1.00 0.92 C ATOM 252 C ARG A 17 -12.262 -8.674 4.140 1.00 0.82 C ATOM 253 O ARG A 17 -12.103 -9.472 3.219 1.00 0.83 O ATOM 254 CB ARG A 17 -13.445 -10.536 5.350 1.00 1.01 C ATOM 255 CG ARG A 17 -12.490 -11.514 6.014 1.00 1.13 C ATOM 256 CD ARG A 17 -13.156 -12.849 6.286 1.00 1.19 C ATOM 257 NE ARG A 17 -14.108 -12.764 7.387 1.00 1.38 N ATOM 258 CZ ARG A 17 -14.515 -13.812 8.104 1.00 1.67 C ATOM 259 NH1 ARG A 17 -14.072 -15.030 7.813 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.356 -13.641 9.113 1.00 1.94 N ATOM 0 H ARG A 17 -14.055 -7.702 6.581 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.275 -8.984 6.250 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.425 -10.622 5.820 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.568 -10.815 4.304 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -11.620 -11.665 5.375 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -12.128 -11.090 6.951 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -13.670 -13.189 5.387 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -12.395 -13.594 6.520 1.00 1.19 H new ATOM 0 HE ARG A 17 -14.486 -11.847 7.623 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -13.420 -15.164 7.040 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -14.384 -15.831 8.362 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.694 -12.706 9.343 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -15.666 -14.444 9.660 1.00 1.94 H new ATOM 274 N LEU A 18 -11.810 -7.428 4.100 1.00 0.75 N ATOM 275 CA LEU A 18 -11.118 -6.894 2.932 1.00 0.67 C ATOM 276 C LEU A 18 -9.651 -6.608 3.246 1.00 0.63 C ATOM 277 O LEU A 18 -9.306 -6.279 4.379 1.00 0.66 O ATOM 278 CB LEU A 18 -11.809 -5.609 2.459 1.00 0.65 C ATOM 279 CG LEU A 18 -12.741 -5.752 1.251 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.736 -6.881 1.461 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.472 -4.444 0.987 1.00 0.66 C ATOM 0 H LEU A 18 -11.910 -6.764 4.867 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.158 -7.642 2.140 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -12.385 -5.203 3.291 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.040 -4.876 2.215 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.132 -5.995 0.380 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.385 -6.961 0.589 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.198 -7.819 1.600 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.339 -6.674 2.345 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.130 -4.562 0.126 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.064 -4.175 1.862 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.746 -3.656 0.784 1.00 0.66 H new ATOM 293 N SER A 19 -8.799 -6.734 2.235 1.00 0.63 N ATOM 294 CA SER A 19 -7.369 -6.489 2.383 1.00 0.64 C ATOM 295 C SER A 19 -6.777 -6.074 1.041 1.00 0.61 C ATOM 296 O SER A 19 -7.147 -6.614 -0.005 1.00 0.70 O ATOM 297 CB SER A 19 -6.656 -7.737 2.914 1.00 0.77 C ATOM 298 OG SER A 19 -5.246 -7.591 2.875 1.00 1.44 O ATOM 0 H SER A 19 -9.078 -7.008 1.293 1.00 0.63 H new ATOM 0 HA SER A 19 -7.225 -5.684 3.103 1.00 0.64 H new ATOM 0 HB2 SER A 19 -6.974 -7.930 3.939 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.949 -8.604 2.321 1.00 0.77 H new ATOM 0 HG SER A 19 -4.863 -7.888 3.727 1.00 1.44 H new ATOM 304 N VAL A 20 -5.868 -5.118 1.073 1.00 0.55 N ATOM 305 CA VAL A 20 -5.240 -4.625 -0.135 1.00 0.56 C ATOM 306 C VAL A 20 -3.747 -4.945 -0.147 1.00 0.67 C ATOM 307 O VAL A 20 -3.090 -4.962 0.899 1.00 0.73 O ATOM 308 CB VAL A 20 -5.445 -3.100 -0.275 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.673 -2.354 0.799 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.039 -2.619 -1.657 1.00 0.53 C ATOM 0 H VAL A 20 -5.547 -4.666 1.929 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.712 -5.127 -0.980 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.507 -2.891 -0.144 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.831 -1.282 0.682 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.023 -2.667 1.783 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.610 -2.577 0.704 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.194 -1.542 -1.728 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.987 -2.846 -1.827 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.645 -3.123 -2.410 1.00 0.53 H new ATOM 320 N ILE A 21 -3.221 -5.220 -1.329 1.00 0.73 N ATOM 321 CA ILE A 21 -1.808 -5.514 -1.480 1.00 0.86 C ATOM 322 C ILE A 21 -1.046 -4.230 -1.787 1.00 0.87 C ATOM 323 O ILE A 21 -1.074 -3.737 -2.916 1.00 0.88 O ATOM 324 CB ILE A 21 -1.550 -6.546 -2.603 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.202 -7.889 -2.258 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.054 -6.721 -2.842 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.043 -8.935 -3.340 1.00 1.10 C ATOM 0 H ILE A 21 -3.753 -5.245 -2.199 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.458 -5.945 -0.542 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.000 -6.171 -3.522 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -1.768 -8.267 -1.332 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.264 -7.730 -2.071 1.00 0.98 H new ATOM 0 HG21 ILE A 21 0.105 -7.451 -3.636 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.382 -5.766 -3.135 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.422 -7.071 -1.926 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.529 -9.859 -3.027 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.502 -8.578 -4.262 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -0.983 -9.123 -3.512 1.00 1.10 H new ATOM 339 N VAL A 22 -0.402 -3.673 -0.773 1.00 0.89 N ATOM 340 CA VAL A 22 0.373 -2.452 -0.943 1.00 0.93 C ATOM 341 C VAL A 22 1.807 -2.813 -1.277 1.00 1.07 C ATOM 342 O VAL A 22 2.543 -3.300 -0.417 1.00 1.15 O ATOM 343 CB VAL A 22 0.360 -1.572 0.321 1.00 0.92 C ATOM 344 CG1 VAL A 22 0.849 -0.169 -0.003 1.00 0.97 C ATOM 345 CG2 VAL A 22 -1.029 -1.535 0.939 1.00 0.80 C ATOM 0 H VAL A 22 -0.400 -4.046 0.176 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.084 -1.882 -1.752 1.00 0.93 H new ATOM 0 HB VAL A 22 1.040 -2.010 1.052 1.00 0.92 H new ATOM 0 HG11 VAL A 22 0.833 0.440 0.901 1.00 0.97 H new ATOM 0 HG12 VAL A 22 1.867 -0.219 -0.390 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.198 0.279 -0.753 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -1.014 -0.908 1.830 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.737 -1.125 0.219 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.333 -2.546 1.212 1.00 0.80 H new ATOM 355 N THR A 23 2.212 -2.570 -2.511 1.00 1.12 N ATOM 356 CA THR A 23 3.557 -2.914 -2.928 1.00 1.26 C ATOM 357 C THR A 23 4.374 -1.698 -3.359 1.00 1.32 C ATOM 358 O THR A 23 3.842 -0.659 -3.753 1.00 1.28 O ATOM 359 CB THR A 23 3.539 -3.967 -4.061 1.00 1.33 C ATOM 360 OG1 THR A 23 4.863 -4.475 -4.283 1.00 1.89 O ATOM 361 CG2 THR A 23 2.991 -3.385 -5.356 1.00 1.63 C ATOM 0 H THR A 23 1.635 -2.140 -3.234 1.00 1.12 H new ATOM 0 HA THR A 23 4.045 -3.340 -2.051 1.00 1.26 H new ATOM 0 HB THR A 23 2.882 -4.779 -3.748 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.841 -5.142 -5.001 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.993 -4.153 -6.130 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.971 -3.035 -5.195 1.00 1.63 H new ATOM 0 HG23 THR A 23 3.615 -2.550 -5.672 1.00 1.63 H new ATOM 369 N HIS A 24 5.681 -1.849 -3.229 1.00 1.45 N ATOM 370 CA HIS A 24 6.650 -0.835 -3.610 1.00 1.54 C ATOM 371 C HIS A 24 7.846 -1.552 -4.201 1.00 1.61 C ATOM 372 O HIS A 24 8.738 -1.973 -3.464 1.00 1.63 O ATOM 373 CB HIS A 24 7.078 0.025 -2.406 1.00 1.58 C ATOM 374 CG HIS A 24 8.312 0.854 -2.652 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.383 0.883 -1.787 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.640 1.676 -3.675 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.318 1.675 -2.271 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.895 2.169 -3.420 1.00 1.86 N ATOM 0 H HIS A 24 6.106 -2.695 -2.849 1.00 1.45 H new ATOM 0 HA HIS A 24 6.205 -0.155 -4.336 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.256 0.688 -2.135 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.256 -0.628 -1.551 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.443 0.370 -0.907 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.027 1.903 -4.535 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.270 1.885 -1.806 1.00 1.88 H new ATOM 387 N SER A 25 7.818 -1.742 -5.515 1.00 1.68 N ATOM 388 CA SER A 25 8.883 -2.432 -6.237 1.00 1.77 C ATOM 389 C SER A 25 8.859 -3.931 -5.916 1.00 1.80 C ATOM 390 O SER A 25 8.632 -4.757 -6.802 1.00 1.90 O ATOM 391 CB SER A 25 10.255 -1.822 -5.915 1.00 1.78 C ATOM 392 OG SER A 25 10.219 -0.403 -6.010 1.00 1.90 O ATOM 0 H SER A 25 7.055 -1.422 -6.112 1.00 1.68 H new ATOM 0 HA SER A 25 8.709 -2.306 -7.306 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.560 -2.115 -4.910 1.00 1.78 H new ATOM 0 HB3 SER A 25 11.003 -2.217 -6.603 1.00 1.78 H new ATOM 0 HG SER A 25 11.104 -0.038 -5.799 1.00 1.90 H new ATOM 398 N ASN A 26 9.064 -4.269 -4.648 1.00 1.77 N ATOM 399 CA ASN A 26 9.059 -5.658 -4.203 1.00 1.82 C ATOM 400 C ASN A 26 8.572 -5.761 -2.753 1.00 1.75 C ATOM 401 O ASN A 26 8.620 -6.825 -2.142 1.00 1.87 O ATOM 402 CB ASN A 26 10.469 -6.244 -4.328 1.00 1.95 C ATOM 403 CG ASN A 26 10.476 -7.745 -4.557 1.00 2.06 C ATOM 404 OD1 ASN A 26 9.440 -8.407 -4.497 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.655 -8.299 -4.811 1.00 2.32 N ATOM 0 H ASN A 26 9.237 -3.593 -3.904 1.00 1.77 H new ATOM 0 HA ASN A 26 8.375 -6.225 -4.834 1.00 1.82 H new ATOM 0 HB2 ASN A 26 10.987 -5.755 -5.153 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.030 -6.019 -3.421 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.723 -9.305 -4.964 1.00 2.32 H new ATOM 0 HD22 ASN A 26 12.493 -7.719 -4.853 1.00 2.32 H new ATOM 412 N GLU A 27 8.092 -4.646 -2.209 1.00 1.66 N ATOM 413 CA GLU A 27 7.608 -4.612 -0.829 1.00 1.60 C ATOM 414 C GLU A 27 6.144 -5.022 -0.738 1.00 1.47 C ATOM 415 O GLU A 27 5.259 -4.205 -0.986 1.00 1.48 O ATOM 416 CB GLU A 27 7.749 -3.209 -0.249 1.00 1.63 C ATOM 417 CG GLU A 27 9.171 -2.698 -0.195 1.00 1.89 C ATOM 418 CD GLU A 27 9.313 -1.562 0.790 1.00 1.91 C ATOM 419 OE1 GLU A 27 9.054 -1.783 1.990 1.00 2.14 O ATOM 420 OE2 GLU A 27 9.660 -0.446 0.366 1.00 2.24 O ATOM 0 H GLU A 27 8.027 -3.755 -2.700 1.00 1.66 H new ATOM 0 HA GLU A 27 8.214 -5.319 -0.262 1.00 1.60 H new ATOM 0 HB2 GLU A 27 7.150 -2.520 -0.845 1.00 1.63 H new ATOM 0 HB3 GLU A 27 7.334 -3.202 0.759 1.00 1.63 H new ATOM 0 HG2 GLU A 27 9.841 -3.511 0.086 1.00 1.89 H new ATOM 0 HG3 GLU A 27 9.476 -2.362 -1.186 1.00 1.89 H new ATOM 427 N ARG A 28 5.888 -6.264 -0.360 1.00 1.44 N ATOM 428 CA ARG A 28 4.521 -6.751 -0.231 1.00 1.33 C ATOM 429 C ARG A 28 4.016 -6.525 1.189 1.00 1.28 C ATOM 430 O ARG A 28 4.520 -7.120 2.142 1.00 1.36 O ATOM 431 CB ARG A 28 4.440 -8.242 -0.586 1.00 1.41 C ATOM 432 CG ARG A 28 3.125 -8.656 -1.236 1.00 1.45 C ATOM 433 CD ARG A 28 1.948 -8.572 -0.270 1.00 1.48 C ATOM 434 NE ARG A 28 2.023 -9.573 0.792 1.00 1.48 N ATOM 435 CZ ARG A 28 1.069 -9.768 1.708 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.022 -9.003 1.718 1.00 1.47 N ATOM 437 NH2 ARG A 28 1.211 -10.729 2.610 1.00 1.92 N ATOM 0 H ARG A 28 6.606 -6.953 -0.137 1.00 1.44 H new ATOM 0 HA ARG A 28 3.891 -6.196 -0.926 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.260 -8.489 -1.260 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.585 -8.829 0.321 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.931 -8.017 -2.097 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.213 -9.676 -1.610 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.917 -7.577 0.174 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.018 -8.703 -0.823 1.00 1.48 H new ATOM 0 HE ARG A 28 2.856 -10.160 0.837 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.133 -8.264 1.024 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -0.746 -9.157 2.419 1.00 1.47 H new ATOM 0 HH21 ARG A 28 2.045 -11.316 2.603 1.00 1.92 H new ATOM 0 HH22 ARG A 28 0.486 -10.882 3.311 1.00 1.92 H new ATOM 451 N TYR A 29 3.025 -5.655 1.327 1.00 1.17 N ATOM 452 CA TYR A 29 2.444 -5.359 2.628 1.00 1.13 C ATOM 453 C TYR A 29 0.954 -5.671 2.631 1.00 1.01 C ATOM 454 O TYR A 29 0.318 -5.703 1.574 1.00 1.00 O ATOM 455 CB TYR A 29 2.673 -3.896 3.005 1.00 1.13 C ATOM 456 CG TYR A 29 3.931 -3.678 3.816 1.00 1.30 C ATOM 457 CD1 TYR A 29 3.946 -3.911 5.187 1.00 1.52 C ATOM 458 CD2 TYR A 29 5.103 -3.237 3.215 1.00 1.60 C ATOM 459 CE1 TYR A 29 5.090 -3.711 5.933 1.00 1.82 C ATOM 460 CE2 TYR A 29 6.254 -3.034 3.956 1.00 1.88 C ATOM 461 CZ TYR A 29 6.242 -3.272 5.315 1.00 1.91 C ATOM 462 OH TYR A 29 7.383 -3.068 6.060 1.00 2.29 O ATOM 0 H TYR A 29 2.606 -5.141 0.552 1.00 1.17 H new ATOM 0 HA TYR A 29 2.937 -5.989 3.368 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.727 -3.298 2.096 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.815 -3.536 3.573 1.00 1.13 H new ATOM 0 HD1 TYR A 29 3.047 -4.254 5.677 1.00 1.52 H new ATOM 0 HD2 TYR A 29 5.116 -3.049 2.152 1.00 1.60 H new ATOM 0 HE1 TYR A 29 5.083 -3.898 6.997 1.00 1.82 H new ATOM 0 HE2 TYR A 29 7.157 -2.691 3.473 1.00 1.88 H new ATOM 0 HH TYR A 29 8.106 -2.760 5.474 1.00 2.29 H new ATOM 472 N ASP A 30 0.414 -5.907 3.819 1.00 0.98 N ATOM 473 CA ASP A 30 -1.001 -6.213 3.985 1.00 0.90 C ATOM 474 C ASP A 30 -1.688 -5.054 4.694 1.00 0.84 C ATOM 475 O ASP A 30 -1.285 -4.670 5.794 1.00 0.96 O ATOM 476 CB ASP A 30 -1.167 -7.501 4.795 1.00 0.97 C ATOM 477 CG ASP A 30 -2.307 -8.361 4.298 1.00 1.07 C ATOM 478 OD1 ASP A 30 -3.452 -8.162 4.753 1.00 1.34 O ATOM 479 OD2 ASP A 30 -2.057 -9.257 3.456 1.00 1.28 O ATOM 0 H ASP A 30 0.942 -5.892 4.692 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.458 -6.357 3.006 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.240 -8.074 4.753 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -1.338 -7.248 5.841 1.00 0.97 H new ATOM 484 N LEU A 31 -2.705 -4.485 4.067 1.00 0.71 N ATOM 485 CA LEU A 31 -3.412 -3.353 4.651 1.00 0.66 C ATOM 486 C LEU A 31 -4.918 -3.573 4.618 1.00 0.58 C ATOM 487 O LEU A 31 -5.451 -4.155 3.674 1.00 0.59 O ATOM 488 CB LEU A 31 -3.057 -2.069 3.892 1.00 0.66 C ATOM 489 CG LEU A 31 -2.626 -0.870 4.749 1.00 0.77 C ATOM 490 CD1 LEU A 31 -3.803 -0.310 5.533 1.00 0.95 C ATOM 491 CD2 LEU A 31 -1.499 -1.264 5.691 1.00 0.98 C ATOM 0 H LEU A 31 -3.059 -4.785 3.159 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.103 -3.258 5.692 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.253 -2.296 3.192 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.922 -1.772 3.298 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.262 -0.090 4.080 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.471 0.538 6.132 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.579 0.016 4.841 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.204 -1.083 6.189 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.207 -0.401 6.290 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -1.838 -2.065 6.349 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.643 -1.609 5.110 1.00 0.98 H new ATOM 503 N LEU A 32 -5.592 -3.110 5.656 1.00 0.55 N ATOM 504 CA LEU A 32 -7.035 -3.231 5.751 1.00 0.52 C ATOM 505 C LEU A 32 -7.696 -2.069 5.017 1.00 0.43 C ATOM 506 O LEU A 32 -7.235 -0.932 5.119 1.00 0.43 O ATOM 507 CB LEU A 32 -7.469 -3.227 7.220 1.00 0.60 C ATOM 508 CG LEU A 32 -8.977 -3.284 7.455 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.446 -4.723 7.560 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.345 -2.502 8.704 1.00 0.85 C ATOM 0 H LEU A 32 -5.157 -2.643 6.452 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.343 -4.171 5.294 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.007 -4.078 7.720 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.078 -2.327 7.695 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.480 -2.826 6.603 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -10.523 -4.743 7.727 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.212 -5.250 6.635 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -8.940 -5.211 8.393 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.423 -2.551 8.860 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -8.834 -2.931 9.566 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.043 -1.462 8.584 1.00 0.85 H new ATOM 522 N VAL A 33 -8.758 -2.360 4.275 1.00 0.41 N ATOM 523 CA VAL A 33 -9.482 -1.334 3.535 1.00 0.36 C ATOM 524 C VAL A 33 -10.111 -0.328 4.496 1.00 0.41 C ATOM 525 O VAL A 33 -10.687 -0.710 5.521 1.00 0.51 O ATOM 526 CB VAL A 33 -10.561 -1.966 2.631 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.484 -0.911 2.044 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.899 -2.769 1.521 1.00 0.56 C ATOM 0 H VAL A 33 -9.138 -3.301 4.170 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.771 -0.808 2.897 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.170 -2.631 3.243 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.231 -1.392 1.413 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.982 -0.374 2.851 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.901 -0.210 1.447 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.666 -3.213 0.886 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.268 -2.111 0.923 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.288 -3.559 1.958 1.00 0.56 H new ATOM 538 N THR A 34 -9.987 0.950 4.157 1.00 0.39 N ATOM 539 CA THR A 34 -10.503 2.030 4.985 1.00 0.48 C ATOM 540 C THR A 34 -12.035 2.048 5.018 1.00 0.59 C ATOM 541 O THR A 34 -12.688 2.299 4.003 1.00 0.65 O ATOM 542 CB THR A 34 -9.988 3.391 4.478 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.703 3.223 3.858 1.00 0.49 O ATOM 544 CG2 THR A 34 -9.877 4.391 5.620 1.00 0.64 C ATOM 0 H THR A 34 -9.527 1.265 3.303 1.00 0.39 H new ATOM 0 HA THR A 34 -10.143 1.853 5.999 1.00 0.48 H new ATOM 0 HB THR A 34 -10.701 3.777 3.749 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.821 2.874 2.950 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.511 5.343 5.236 1.00 0.64 H new ATOM 0 HG22 THR A 34 -10.857 4.535 6.074 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.182 4.012 6.370 1.00 0.64 H new ATOM 552 N PRO A 35 -12.625 1.786 6.197 1.00 0.73 N ATOM 553 CA PRO A 35 -14.074 1.773 6.376 1.00 0.89 C ATOM 554 C PRO A 35 -14.634 3.179 6.623 1.00 0.93 C ATOM 555 O PRO A 35 -14.095 4.162 6.109 1.00 0.93 O ATOM 556 CB PRO A 35 -14.240 0.887 7.610 1.00 1.07 C ATOM 557 CG PRO A 35 -13.023 1.154 8.429 1.00 1.07 C ATOM 558 CD PRO A 35 -11.917 1.483 7.458 1.00 0.82 C ATOM 0 HA PRO A 35 -14.612 1.414 5.499 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.149 1.136 8.158 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.311 -0.166 7.336 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.193 1.981 9.118 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -12.763 0.284 9.033 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.327 2.334 7.799 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.229 0.646 7.338 1.00 0.82 H new ATOM 566 N GLN A 36 -15.721 3.255 7.396 1.00 1.02 N ATOM 567 CA GLN A 36 -16.377 4.520 7.740 1.00 1.13 C ATOM 568 C GLN A 36 -17.125 5.094 6.546 1.00 1.16 C ATOM 569 O GLN A 36 -17.268 6.310 6.414 1.00 1.24 O ATOM 570 CB GLN A 36 -15.375 5.543 8.282 1.00 1.16 C ATOM 571 CG GLN A 36 -14.781 5.160 9.626 1.00 1.38 C ATOM 572 CD GLN A 36 -13.733 6.145 10.093 1.00 1.95 C ATOM 573 OE1 GLN A 36 -14.047 7.136 10.753 1.00 2.47 O ATOM 574 NE2 GLN A 36 -12.484 5.879 9.760 1.00 2.33 N ATOM 0 H GLN A 36 -16.173 2.436 7.803 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.099 4.304 8.527 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -14.568 5.667 7.560 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -15.870 6.510 8.375 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -15.577 5.101 10.369 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -14.337 4.167 9.555 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -12.269 5.046 9.212 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -11.734 6.506 10.051 1.00 2.33 H new ATOM 583 N GLN A 37 -17.619 4.214 5.689 1.00 1.15 N ATOM 584 CA GLN A 37 -18.358 4.634 4.512 1.00 1.23 C ATOM 585 C GLN A 37 -19.483 3.648 4.224 1.00 1.30 C ATOM 586 O GLN A 37 -20.622 3.853 4.649 1.00 1.64 O ATOM 587 CB GLN A 37 -17.432 4.755 3.298 1.00 1.16 C ATOM 588 CG GLN A 37 -17.558 6.083 2.562 1.00 1.33 C ATOM 589 CD GLN A 37 -18.949 6.329 2.007 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.657 5.401 1.615 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.353 7.588 1.973 1.00 1.82 N ATOM 0 H GLN A 37 -17.521 3.204 5.788 1.00 1.15 H new ATOM 0 HA GLN A 37 -18.788 5.616 4.708 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.400 4.627 3.625 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.649 3.943 2.604 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.296 6.894 3.242 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.838 6.108 1.744 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -18.738 8.330 2.307 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.280 7.817 1.613 1.00 1.82 H new ATOM 600 N GLY A 38 -19.164 2.574 3.521 1.00 1.14 N ATOM 601 CA GLY A 38 -20.161 1.585 3.200 1.00 1.21 C ATOM 602 C GLY A 38 -19.557 0.225 2.939 1.00 1.14 C ATOM 603 O GLY A 38 -19.732 -0.322 1.855 1.00 1.17 O ATOM 0 H GLY A 38 -18.229 2.372 3.167 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -20.874 1.512 4.021 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.719 1.907 2.321 1.00 1.21 H new ATOM 607 N ASN A 39 -18.847 -0.300 3.946 1.00 1.13 N ATOM 608 CA ASN A 39 -18.186 -1.620 3.903 1.00 1.11 C ATOM 609 C ASN A 39 -17.456 -1.906 2.578 1.00 0.97 C ATOM 610 O ASN A 39 -16.256 -1.666 2.474 1.00 0.89 O ATOM 611 CB ASN A 39 -19.164 -2.762 4.272 1.00 1.30 C ATOM 612 CG ASN A 39 -20.464 -2.777 3.477 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.545 -3.381 2.404 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.490 -2.124 4.002 1.00 1.70 N ATOM 0 H ASN A 39 -18.711 0.186 4.832 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.408 -1.582 4.666 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.656 -3.716 4.128 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.405 -2.686 5.332 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.387 -2.109 3.517 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.383 -1.637 4.892 1.00 1.70 H new ATOM 621 N SER A 40 -18.169 -2.430 1.582 1.00 1.02 N ATOM 622 CA SER A 40 -17.580 -2.746 0.282 1.00 0.95 C ATOM 623 C SER A 40 -17.139 -1.471 -0.445 1.00 0.87 C ATOM 624 O SER A 40 -16.298 -1.515 -1.347 1.00 0.82 O ATOM 625 CB SER A 40 -18.591 -3.517 -0.571 1.00 1.07 C ATOM 626 OG SER A 40 -19.181 -4.576 0.169 1.00 1.30 O ATOM 0 H SER A 40 -19.163 -2.646 1.652 1.00 1.02 H new ATOM 0 HA SER A 40 -16.698 -3.365 0.444 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.368 -2.838 -0.923 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.095 -3.919 -1.455 1.00 1.07 H new ATOM 0 HG SER A 40 -19.760 -4.204 0.867 1.00 1.30 H new ATOM 632 N GLU A 41 -17.728 -0.350 -0.058 1.00 0.92 N ATOM 633 CA GLU A 41 -17.400 0.939 -0.642 1.00 0.88 C ATOM 634 C GLU A 41 -16.654 1.779 0.394 1.00 0.81 C ATOM 635 O GLU A 41 -17.249 2.239 1.370 1.00 0.90 O ATOM 636 CB GLU A 41 -18.675 1.656 -1.100 1.00 1.02 C ATOM 637 CG GLU A 41 -18.477 2.540 -2.323 1.00 1.34 C ATOM 638 CD GLU A 41 -19.771 3.156 -2.817 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.816 2.472 -2.778 1.00 1.83 O ATOM 640 OE2 GLU A 41 -19.752 4.326 -3.248 1.00 1.73 O ATOM 0 H GLU A 41 -18.444 -0.309 0.667 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.764 0.794 -1.515 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.440 0.912 -1.321 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -19.052 2.266 -0.279 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -17.771 3.334 -2.081 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -18.031 1.950 -3.124 1.00 1.34 H new ATOM 647 N PRO A 42 -15.337 1.955 0.216 1.00 0.69 N ATOM 648 CA PRO A 42 -14.508 2.720 1.144 1.00 0.67 C ATOM 649 C PRO A 42 -14.531 4.225 0.870 1.00 0.69 C ATOM 650 O PRO A 42 -15.218 4.697 -0.037 1.00 0.77 O ATOM 651 CB PRO A 42 -13.117 2.153 0.884 1.00 0.60 C ATOM 652 CG PRO A 42 -13.124 1.794 -0.562 1.00 0.62 C ATOM 653 CD PRO A 42 -14.546 1.414 -0.905 1.00 0.64 C ATOM 0 HA PRO A 42 -14.853 2.628 2.174 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.342 2.886 1.107 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.921 1.281 1.508 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.789 2.634 -1.171 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.443 0.966 -0.759 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.856 1.844 -1.857 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.661 0.334 -0.991 1.00 0.64 H new ATOM 661 N VAL A 43 -13.772 4.972 1.665 1.00 0.67 N ATOM 662 CA VAL A 43 -13.695 6.423 1.519 1.00 0.72 C ATOM 663 C VAL A 43 -12.708 6.817 0.422 1.00 0.65 C ATOM 664 O VAL A 43 -11.950 5.985 -0.070 1.00 0.58 O ATOM 665 CB VAL A 43 -13.280 7.110 2.842 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.372 6.969 3.890 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.966 6.544 3.360 1.00 0.67 C ATOM 0 H VAL A 43 -13.199 4.596 2.420 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.694 6.761 1.245 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.136 8.171 2.638 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.058 7.460 4.811 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.288 7.434 3.526 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.554 5.912 4.086 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.696 7.043 4.291 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.077 5.475 3.541 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.182 6.708 2.620 1.00 0.67 H new ATOM 677 N VAL A 44 -12.709 8.093 0.057 1.00 0.72 N ATOM 678 CA VAL A 44 -11.813 8.597 -0.985 1.00 0.71 C ATOM 679 C VAL A 44 -10.371 8.677 -0.489 1.00 0.66 C ATOM 680 O VAL A 44 -9.435 8.776 -1.280 1.00 0.68 O ATOM 681 CB VAL A 44 -12.245 9.986 -1.498 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.481 9.871 -2.373 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.495 10.940 -0.340 1.00 0.98 C ATOM 0 H VAL A 44 -13.319 8.801 0.465 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.874 7.885 -1.808 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.433 10.392 -2.101 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.771 10.861 -2.725 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.263 9.231 -3.228 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.297 9.439 -1.794 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -12.798 11.912 -0.729 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.285 10.541 0.296 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -11.581 11.051 0.243 1.00 0.98 H new ATOM 693 N GLN A 45 -10.200 8.626 0.826 1.00 0.66 N ATOM 694 CA GLN A 45 -8.875 8.692 1.432 1.00 0.65 C ATOM 695 C GLN A 45 -8.236 7.311 1.457 1.00 0.57 C ATOM 696 O GLN A 45 -7.047 7.174 1.731 1.00 0.62 O ATOM 697 CB GLN A 45 -8.962 9.235 2.863 1.00 0.74 C ATOM 698 CG GLN A 45 -9.848 10.461 3.010 1.00 1.07 C ATOM 699 CD GLN A 45 -9.960 10.929 4.449 1.00 1.44 C ATOM 700 OE1 GLN A 45 -9.867 10.132 5.388 1.00 1.88 O ATOM 701 NE2 GLN A 45 -10.168 12.222 4.630 1.00 1.94 N ATOM 0 H GLN A 45 -10.964 8.539 1.496 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.262 9.364 0.832 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.338 8.448 3.516 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.958 9.482 3.208 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.448 11.270 2.399 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.843 10.234 2.627 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.238 12.845 3.825 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -10.258 12.597 5.574 1.00 1.94 H new ATOM 710 N ASP A 46 -9.042 6.297 1.158 1.00 0.49 N ATOM 711 CA ASP A 46 -8.594 4.906 1.162 1.00 0.42 C ATOM 712 C ASP A 46 -7.373 4.698 0.271 1.00 0.41 C ATOM 713 O ASP A 46 -6.370 4.135 0.705 1.00 0.46 O ATOM 714 CB ASP A 46 -9.730 3.989 0.705 1.00 0.38 C ATOM 715 CG ASP A 46 -9.281 2.556 0.513 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.199 1.823 1.522 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.007 2.168 -0.650 1.00 0.31 O ATOM 0 H ASP A 46 -10.023 6.415 0.906 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.307 4.657 2.184 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.534 4.018 1.441 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.141 4.365 -0.232 1.00 0.38 H new ATOM 722 N LEU A 47 -7.457 5.186 -0.963 1.00 0.46 N ATOM 723 CA LEU A 47 -6.375 5.037 -1.936 1.00 0.54 C ATOM 724 C LEU A 47 -5.034 5.530 -1.391 1.00 0.56 C ATOM 725 O LEU A 47 -3.981 5.028 -1.775 1.00 0.65 O ATOM 726 CB LEU A 47 -6.725 5.774 -3.236 1.00 0.66 C ATOM 727 CG LEU A 47 -7.190 7.226 -3.075 1.00 0.88 C ATOM 728 CD1 LEU A 47 -6.018 8.185 -3.191 1.00 1.41 C ATOM 729 CD2 LEU A 47 -8.254 7.567 -4.108 1.00 1.00 C ATOM 0 H LEU A 47 -8.269 5.692 -1.317 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.268 3.972 -2.142 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.849 5.763 -3.885 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.509 5.216 -3.748 1.00 0.66 H new ATOM 0 HG LEU A 47 -7.624 7.332 -2.081 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -6.373 9.209 -3.073 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -5.287 7.963 -2.413 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -5.552 8.073 -4.170 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -8.570 8.602 -3.976 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.844 7.438 -5.109 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -9.111 6.906 -3.979 1.00 1.00 H new ATOM 741 N ALA A 48 -5.077 6.494 -0.488 1.00 0.58 N ATOM 742 CA ALA A 48 -3.864 7.049 0.085 1.00 0.69 C ATOM 743 C ALA A 48 -3.543 6.424 1.440 1.00 0.67 C ATOM 744 O ALA A 48 -2.380 6.159 1.749 1.00 0.76 O ATOM 745 CB ALA A 48 -4.003 8.553 0.217 1.00 0.83 C ATOM 0 H ALA A 48 -5.940 6.909 -0.136 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.036 6.818 -0.585 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.091 8.966 0.647 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.171 8.991 -0.767 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -4.848 8.785 0.866 1.00 0.83 H new ATOM 751 N GLN A 49 -4.579 6.179 2.233 1.00 0.60 N ATOM 752 CA GLN A 49 -4.426 5.606 3.566 1.00 0.62 C ATOM 753 C GLN A 49 -3.785 4.225 3.517 1.00 0.59 C ATOM 754 O GLN A 49 -2.954 3.891 4.363 1.00 0.66 O ATOM 755 CB GLN A 49 -5.783 5.519 4.268 1.00 0.62 C ATOM 756 CG GLN A 49 -5.675 5.447 5.782 1.00 0.95 C ATOM 757 CD GLN A 49 -6.069 6.743 6.460 1.00 1.27 C ATOM 758 OE1 GLN A 49 -7.218 6.919 6.870 1.00 1.86 O ATOM 759 NE2 GLN A 49 -5.127 7.662 6.578 1.00 1.43 N ATOM 0 H GLN A 49 -5.546 6.371 1.972 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.766 6.266 4.129 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.382 6.388 3.995 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.315 4.639 3.907 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.311 4.642 6.149 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -4.651 5.195 6.057 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -4.188 7.478 6.226 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -5.339 8.556 7.022 1.00 1.43 H new ATOM 768 N LEU A 50 -4.170 3.432 2.524 1.00 0.52 N ATOM 769 CA LEU A 50 -3.630 2.083 2.364 1.00 0.53 C ATOM 770 C LEU A 50 -2.112 2.115 2.234 1.00 0.65 C ATOM 771 O LEU A 50 -1.408 1.262 2.773 1.00 0.72 O ATOM 772 CB LEU A 50 -4.231 1.410 1.127 1.00 0.46 C ATOM 773 CG LEU A 50 -5.757 1.324 1.106 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.241 0.760 -0.220 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.268 0.480 2.261 1.00 0.40 C ATOM 0 H LEU A 50 -4.854 3.698 1.816 1.00 0.52 H new ATOM 0 HA LEU A 50 -3.896 1.511 3.253 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -3.902 1.954 0.242 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.826 0.401 1.050 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.155 2.332 1.220 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.330 0.706 -0.217 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.912 1.408 -1.033 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.829 -0.239 -0.363 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.356 0.434 2.224 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.859 -0.528 2.184 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -5.955 0.927 3.205 1.00 0.40 H new ATOM 787 N VAL A 51 -1.613 3.114 1.530 1.00 0.70 N ATOM 788 CA VAL A 51 -0.181 3.260 1.319 1.00 0.84 C ATOM 789 C VAL A 51 0.481 3.919 2.525 1.00 0.90 C ATOM 790 O VAL A 51 1.588 3.551 2.923 1.00 1.01 O ATOM 791 CB VAL A 51 0.112 4.091 0.055 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.604 4.115 -0.237 1.00 1.56 C ATOM 793 CG2 VAL A 51 -0.662 3.544 -1.135 1.00 1.37 C ATOM 0 H VAL A 51 -2.179 3.840 1.092 1.00 0.70 H new ATOM 0 HA VAL A 51 0.232 2.260 1.187 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.215 5.115 0.234 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.790 4.707 -1.133 1.00 1.56 H new ATOM 0 HG12 VAL A 51 2.133 4.558 0.607 1.00 1.56 H new ATOM 0 HG13 VAL A 51 1.960 3.097 -0.394 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.443 4.143 -2.018 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -0.368 2.510 -1.316 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -1.731 3.586 -0.924 1.00 1.37 H new ATOM 803 N GLU A 52 -0.218 4.880 3.110 1.00 0.86 N ATOM 804 CA GLU A 52 0.278 5.610 4.270 1.00 0.93 C ATOM 805 C GLU A 52 0.518 4.674 5.456 1.00 0.95 C ATOM 806 O GLU A 52 1.611 4.638 6.021 1.00 1.07 O ATOM 807 CB GLU A 52 -0.723 6.705 4.654 1.00 0.91 C ATOM 808 CG GLU A 52 -0.381 7.434 5.945 1.00 1.13 C ATOM 809 CD GLU A 52 -1.500 8.342 6.413 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.583 8.328 5.795 1.00 1.37 O ATOM 811 OE2 GLU A 52 -1.302 9.077 7.404 1.00 1.40 O ATOM 0 H GLU A 52 -1.142 5.176 2.796 1.00 0.86 H new ATOM 0 HA GLU A 52 1.233 6.065 4.007 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.779 7.431 3.843 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.713 6.259 4.752 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.161 6.704 6.723 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.523 8.024 5.797 1.00 1.13 H new ATOM 818 N GLU A 53 -0.498 3.887 5.798 1.00 0.86 N ATOM 819 CA GLU A 53 -0.419 2.969 6.930 1.00 0.89 C ATOM 820 C GLU A 53 0.384 1.712 6.604 1.00 0.93 C ATOM 821 O GLU A 53 0.577 0.856 7.471 1.00 1.01 O ATOM 822 CB GLU A 53 -1.825 2.575 7.384 1.00 0.85 C ATOM 823 CG GLU A 53 -2.565 3.681 8.119 1.00 1.33 C ATOM 824 CD GLU A 53 -2.022 3.927 9.512 1.00 1.45 C ATOM 825 OE1 GLU A 53 -1.106 3.195 9.947 1.00 1.81 O ATOM 826 OE2 GLU A 53 -2.519 4.849 10.188 1.00 1.99 O ATOM 0 H GLU A 53 -1.390 3.867 5.304 1.00 0.86 H new ATOM 0 HA GLU A 53 0.100 3.493 7.733 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.408 2.278 6.512 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -1.756 1.703 8.034 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -2.499 4.602 7.541 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -3.622 3.422 8.187 1.00 1.33 H new ATOM 833 N ALA A 54 0.848 1.598 5.368 1.00 0.93 N ATOM 834 CA ALA A 54 1.620 0.432 4.959 1.00 1.00 C ATOM 835 C ALA A 54 2.988 0.420 5.629 1.00 1.15 C ATOM 836 O ALA A 54 3.540 -0.641 5.914 1.00 1.28 O ATOM 837 CB ALA A 54 1.772 0.391 3.450 1.00 1.06 C ATOM 0 H ALA A 54 0.705 2.293 4.635 1.00 0.93 H new ATOM 0 HA ALA A 54 1.076 -0.457 5.277 1.00 1.00 H new ATOM 0 HB1 ALA A 54 2.352 -0.487 3.166 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.787 0.341 2.986 1.00 1.06 H new ATOM 0 HB3 ALA A 54 2.287 1.290 3.112 1.00 1.06 H new ATOM 843 N THR A 55 3.535 1.601 5.870 1.00 1.21 N ATOM 844 CA THR A 55 4.841 1.718 6.508 1.00 1.38 C ATOM 845 C THR A 55 4.881 2.885 7.487 1.00 1.40 C ATOM 846 O THR A 55 5.686 2.901 8.422 1.00 1.55 O ATOM 847 CB THR A 55 5.955 1.900 5.462 1.00 1.60 C ATOM 848 OG1 THR A 55 5.444 2.618 4.332 1.00 1.81 O ATOM 849 CG2 THR A 55 6.507 0.556 5.006 1.00 1.77 C ATOM 0 H THR A 55 3.098 2.492 5.635 1.00 1.21 H new ATOM 0 HA THR A 55 5.009 0.791 7.056 1.00 1.38 H new ATOM 0 HB THR A 55 6.766 2.464 5.923 1.00 1.60 H new ATOM 0 HG1 THR A 55 6.111 3.269 4.029 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.292 0.717 4.267 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.919 0.022 5.863 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.706 -0.034 4.561 1.00 1.77 H new ATOM 857 N GLY A 56 3.998 3.847 7.280 1.00 1.30 N ATOM 858 CA GLY A 56 3.955 5.007 8.140 1.00 1.34 C ATOM 859 C GLY A 56 4.555 6.227 7.474 1.00 1.42 C ATOM 860 O GLY A 56 5.288 6.990 8.101 1.00 1.55 O ATOM 0 H GLY A 56 3.308 3.845 6.529 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.921 5.216 8.416 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.495 4.795 9.063 1.00 1.34 H new ATOM 864 N VAL A 57 4.240 6.408 6.199 1.00 1.37 N ATOM 865 CA VAL A 57 4.757 7.536 5.437 1.00 1.46 C ATOM 866 C VAL A 57 3.625 8.441 4.975 1.00 1.37 C ATOM 867 O VAL A 57 2.562 7.963 4.576 1.00 1.26 O ATOM 868 CB VAL A 57 5.570 7.077 4.204 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.955 6.610 4.620 1.00 1.70 C ATOM 870 CG2 VAL A 57 4.838 5.980 3.444 1.00 1.63 C ATOM 0 H VAL A 57 3.628 5.787 5.670 1.00 1.37 H new ATOM 0 HA VAL A 57 5.420 8.087 6.105 1.00 1.46 H new ATOM 0 HB VAL A 57 5.681 7.931 3.536 1.00 1.55 H new ATOM 0 HG11 VAL A 57 7.511 6.291 3.739 1.00 1.70 H new ATOM 0 HG12 VAL A 57 7.484 7.429 5.107 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.864 5.774 5.314 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.432 5.676 2.582 1.00 1.63 H new ATOM 0 HG22 VAL A 57 4.685 5.123 4.100 1.00 1.63 H new ATOM 0 HG23 VAL A 57 3.872 6.354 3.105 1.00 1.63 H new ATOM 880 N PRO A 58 3.827 9.766 5.042 1.00 1.45 N ATOM 881 CA PRO A 58 2.818 10.738 4.617 1.00 1.41 C ATOM 882 C PRO A 58 2.625 10.728 3.101 1.00 1.35 C ATOM 883 O PRO A 58 3.423 10.137 2.368 1.00 1.39 O ATOM 884 CB PRO A 58 3.387 12.076 5.095 1.00 1.56 C ATOM 885 CG PRO A 58 4.858 11.860 5.147 1.00 1.67 C ATOM 886 CD PRO A 58 5.050 10.419 5.541 1.00 1.63 C ATOM 0 HA PRO A 58 1.832 10.523 5.028 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.129 12.884 4.410 1.00 1.56 H new ATOM 0 HB3 PRO A 58 2.991 12.348 6.073 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.317 12.065 4.180 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.326 12.528 5.870 1.00 1.67 H new ATOM 0 HD2 PRO A 58 5.946 9.994 5.089 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.154 10.307 6.620 1.00 1.63 H new ATOM 894 N LEU A 59 1.576 11.398 2.640 1.00 1.29 N ATOM 895 CA LEU A 59 1.253 11.451 1.213 1.00 1.26 C ATOM 896 C LEU A 59 2.425 11.930 0.339 1.00 1.34 C ATOM 897 O LEU A 59 2.756 11.269 -0.641 1.00 1.35 O ATOM 898 CB LEU A 59 0.015 12.324 0.958 1.00 1.25 C ATOM 899 CG LEU A 59 -1.218 11.984 1.801 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.414 12.817 1.362 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.534 10.501 1.709 1.00 1.54 C ATOM 0 H LEU A 59 0.929 11.916 3.235 1.00 1.29 H new ATOM 0 HA LEU A 59 1.038 10.423 0.920 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.282 13.365 1.141 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.254 12.244 -0.095 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.999 12.224 2.842 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.280 12.561 1.973 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.184 13.876 1.484 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.635 12.612 0.315 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.413 10.278 2.314 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.731 10.235 0.671 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.685 9.925 2.076 1.00 1.54 H new ATOM 913 N PRO A 60 3.096 13.060 0.672 1.00 1.42 N ATOM 914 CA PRO A 60 4.207 13.580 -0.145 1.00 1.52 C ATOM 915 C PRO A 60 5.464 12.703 -0.129 1.00 1.60 C ATOM 916 O PRO A 60 6.461 13.038 -0.768 1.00 1.79 O ATOM 917 CB PRO A 60 4.517 14.947 0.478 1.00 1.61 C ATOM 918 CG PRO A 60 3.355 15.257 1.357 1.00 1.56 C ATOM 919 CD PRO A 60 2.842 13.932 1.829 1.00 1.46 C ATOM 0 HA PRO A 60 3.917 13.617 -1.195 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.444 14.916 1.050 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.642 15.709 -0.291 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.655 15.883 2.197 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.586 15.803 0.811 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.368 13.588 2.720 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.782 13.974 2.081 1.00 1.46 H new ATOM 927 N PHE A 61 5.432 11.598 0.601 1.00 1.55 N ATOM 928 CA PHE A 61 6.585 10.705 0.661 1.00 1.63 C ATOM 929 C PHE A 61 6.383 9.503 -0.249 1.00 1.59 C ATOM 930 O PHE A 61 7.323 8.758 -0.534 1.00 1.70 O ATOM 931 CB PHE A 61 6.837 10.242 2.098 1.00 1.66 C ATOM 932 CG PHE A 61 7.936 11.000 2.791 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.778 12.338 3.118 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.132 10.373 3.111 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.789 13.036 3.752 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.146 11.068 3.745 1.00 2.25 C ATOM 937 CZ PHE A 61 9.974 12.401 4.066 1.00 2.34 C ATOM 0 H PHE A 61 4.630 11.298 1.156 1.00 1.55 H new ATOM 0 HA PHE A 61 7.458 11.259 0.316 1.00 1.63 H new ATOM 0 HB2 PHE A 61 5.916 10.348 2.672 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.088 9.181 2.090 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.854 12.841 2.874 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.272 9.331 2.862 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.652 14.078 4.002 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.072 10.569 3.989 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.765 12.945 4.561 1.00 2.34 H new ATOM 947 N GLN A 62 5.158 9.330 -0.721 1.00 1.47 N ATOM 948 CA GLN A 62 4.828 8.213 -1.589 1.00 1.44 C ATOM 949 C GLN A 62 4.223 8.707 -2.898 1.00 1.40 C ATOM 950 O GLN A 62 4.155 9.912 -3.148 1.00 1.55 O ATOM 951 CB GLN A 62 3.863 7.252 -0.882 1.00 1.38 C ATOM 952 CG GLN A 62 2.738 7.947 -0.129 1.00 1.35 C ATOM 953 CD GLN A 62 1.369 7.673 -0.722 1.00 1.64 C ATOM 954 OE1 GLN A 62 1.216 7.519 -1.934 1.00 2.14 O ATOM 955 NE2 GLN A 62 0.364 7.599 0.136 1.00 1.66 N ATOM 0 H GLN A 62 4.375 9.951 -0.516 1.00 1.47 H new ATOM 0 HA GLN A 62 5.748 7.675 -1.819 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.430 6.579 -1.622 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.428 6.636 -0.183 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.749 7.621 0.911 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.919 9.022 -0.128 1.00 1.35 H new ATOM 0 HE21 GLN A 62 0.534 7.733 1.133 1.00 1.66 H new ATOM 0 HE22 GLN A 62 -0.580 7.408 -0.200 1.00 1.66 H new ATOM 964 N LYS A 63 3.799 7.769 -3.732 1.00 1.42 N ATOM 965 CA LYS A 63 3.196 8.094 -5.014 1.00 1.38 C ATOM 966 C LYS A 63 2.267 6.969 -5.462 1.00 1.27 C ATOM 967 O LYS A 63 2.627 6.161 -6.320 1.00 1.31 O ATOM 968 CB LYS A 63 4.275 8.342 -6.073 1.00 1.51 C ATOM 969 CG LYS A 63 3.785 9.154 -7.260 1.00 1.64 C ATOM 970 CD LYS A 63 4.844 9.261 -8.343 1.00 1.73 C ATOM 971 CE LYS A 63 4.429 10.241 -9.430 1.00 1.94 C ATOM 972 NZ LYS A 63 4.339 11.632 -8.916 1.00 2.29 N ATOM 0 H LYS A 63 3.863 6.769 -3.541 1.00 1.42 H new ATOM 0 HA LYS A 63 2.613 9.007 -4.897 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.115 8.861 -5.610 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.650 7.383 -6.429 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.888 8.691 -7.672 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.504 10.153 -6.926 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.787 9.583 -7.901 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.017 8.279 -8.783 1.00 1.73 H new ATOM 0 HE2 LYS A 63 5.148 10.202 -10.248 1.00 1.94 H new ATOM 0 HE3 LYS A 63 3.464 9.942 -9.839 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 4.375 12.299 -9.713 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 3.444 11.755 -8.401 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.136 11.817 -8.273 1.00 2.29 H new ATOM 986 N LEU A 64 1.095 6.906 -4.845 1.00 1.16 N ATOM 987 CA LEU A 64 0.097 5.886 -5.156 1.00 1.06 C ATOM 988 C LEU A 64 -0.398 6.014 -6.598 1.00 1.05 C ATOM 989 O LEU A 64 -0.899 7.063 -6.998 1.00 1.06 O ATOM 990 CB LEU A 64 -1.079 6.011 -4.173 1.00 0.98 C ATOM 991 CG LEU A 64 -2.198 4.955 -4.273 1.00 0.91 C ATOM 992 CD1 LEU A 64 -3.308 5.417 -5.207 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.654 3.612 -4.728 1.00 1.06 C ATOM 0 H LEU A 64 0.807 7.558 -4.116 1.00 1.16 H new ATOM 0 HA LEU A 64 0.558 4.904 -5.053 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.677 5.982 -3.160 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.530 6.994 -4.309 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.616 4.832 -3.274 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -4.083 4.652 -5.258 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.738 6.345 -4.830 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.899 5.585 -6.203 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -2.469 2.891 -4.788 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -1.192 3.720 -5.709 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.910 3.260 -4.014 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.229 4.942 -7.366 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.684 4.890 -8.752 1.00 1.08 C ATOM 1007 C ILE A 65 -1.229 3.493 -9.056 1.00 1.05 C ATOM 1008 O ILE A 65 -0.521 2.644 -9.604 1.00 1.15 O ATOM 1009 CB ILE A 65 0.446 5.224 -9.761 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.125 6.551 -9.410 1.00 1.27 C ATOM 1011 CG2 ILE A 65 -0.113 5.286 -11.178 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.375 6.826 -10.218 1.00 1.42 C ATOM 0 H ILE A 65 0.226 4.087 -7.047 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.463 5.644 -8.866 1.00 1.08 H new ATOM 0 HB ILE A 65 1.192 4.432 -9.704 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.416 7.364 -9.565 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.381 6.549 -8.350 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.690 5.521 -11.876 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.550 4.322 -11.439 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.880 6.059 -11.233 1.00 1.42 H new ATOM 0 HD11 ILE A 65 2.801 7.782 -9.915 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.102 6.033 -10.044 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.123 6.861 -11.278 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.476 3.246 -8.672 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.101 1.947 -8.906 1.00 0.91 C ATOM 1026 C PHE A 66 -4.619 2.054 -8.783 1.00 0.84 C ATOM 1027 O PHE A 66 -5.137 3.073 -8.331 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.566 0.895 -7.923 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.168 -0.416 -8.559 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -2.646 -0.781 -9.809 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.313 -1.285 -7.898 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.281 -1.983 -10.384 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.945 -2.489 -8.468 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.429 -2.838 -9.713 1.00 1.16 C ATOM 0 H PHE A 66 -3.073 3.924 -8.199 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.850 1.631 -9.919 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.702 1.309 -7.404 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.328 0.701 -7.169 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.312 -0.117 -10.340 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.929 -1.017 -6.925 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -2.662 -2.254 -11.358 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.280 -3.156 -7.940 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.142 -3.778 -10.161 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.300 0.978 -9.180 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.764 0.873 -9.176 1.00 0.89 C ATOM 1046 C LYS A 67 -7.441 2.136 -9.717 1.00 0.84 C ATOM 1047 O LYS A 67 -8.463 2.595 -9.196 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.335 0.435 -7.806 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.041 1.334 -6.607 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.632 0.723 -5.335 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.622 1.682 -4.152 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.403 1.138 -3.000 1.00 0.54 N ATOM 0 H LYS A 67 -4.840 0.134 -9.522 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.009 0.069 -9.870 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -8.417 0.346 -7.904 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -6.952 -0.561 -7.583 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -5.964 1.461 -6.493 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -7.463 2.325 -6.774 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -8.657 0.409 -5.532 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -7.069 -0.173 -5.074 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -6.594 1.867 -3.841 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -8.041 2.641 -4.456 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.334 1.792 -2.194 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -9.400 1.032 -3.276 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -8.019 0.211 -2.727 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.854 2.673 -10.787 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.380 3.851 -11.460 1.00 0.93 C ATOM 1068 C GLY A 68 -7.403 5.114 -10.616 1.00 0.94 C ATOM 1069 O GLY A 68 -8.345 5.903 -10.714 1.00 1.05 O ATOM 0 H GLY A 68 -6.002 2.301 -11.207 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.783 4.039 -12.352 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.395 3.637 -11.795 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.400 5.321 -9.773 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.353 6.527 -8.947 1.00 0.93 C ATOM 1075 C LYS A 69 -4.930 6.883 -8.550 1.00 0.96 C ATOM 1076 O LYS A 69 -4.036 6.035 -8.552 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.221 6.388 -7.690 1.00 0.92 C ATOM 1078 CG LYS A 69 -7.489 4.952 -7.268 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.805 4.822 -6.513 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.984 5.341 -7.328 1.00 1.24 C ATOM 1081 NZ LYS A 69 -9.988 4.807 -8.717 1.00 1.50 N ATOM 0 H LYS A 69 -5.617 4.681 -9.641 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.754 7.335 -9.559 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.734 6.911 -6.867 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -8.174 6.887 -7.865 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -7.511 4.312 -8.150 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -6.672 4.599 -6.638 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -8.974 3.776 -6.256 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.741 5.374 -5.575 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.915 5.066 -6.832 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.950 6.430 -7.360 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -10.963 4.578 -8.998 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -9.599 5.522 -9.365 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -9.405 3.947 -8.760 1.00 1.50 H new ATOM 1095 N SER A 70 -4.744 8.150 -8.215 1.00 0.95 N ATOM 1096 CA SER A 70 -3.456 8.664 -7.800 1.00 1.00 C ATOM 1097 C SER A 70 -3.539 9.104 -6.343 1.00 0.93 C ATOM 1098 O SER A 70 -4.633 9.340 -5.827 1.00 0.89 O ATOM 1099 CB SER A 70 -3.052 9.846 -8.687 1.00 1.17 C ATOM 1100 OG SER A 70 -1.653 10.075 -8.643 1.00 1.46 O ATOM 0 H SER A 70 -5.486 8.850 -8.225 1.00 0.95 H new ATOM 0 HA SER A 70 -2.702 7.883 -7.900 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.358 9.652 -9.715 1.00 1.17 H new ATOM 0 HB3 SER A 70 -3.579 10.743 -8.362 1.00 1.17 H new ATOM 0 HG SER A 70 -1.427 10.834 -9.220 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.390 9.199 -5.690 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.324 9.608 -4.290 1.00 0.99 C ATOM 1108 C LEU A 71 -2.961 10.981 -4.083 1.00 1.00 C ATOM 1109 O LEU A 71 -2.635 11.944 -4.786 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.869 9.631 -3.802 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.001 10.758 -4.371 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.140 11.074 -3.419 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.536 10.385 -5.750 1.00 1.28 C ATOM 0 H LEU A 71 -1.482 8.997 -6.109 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.884 8.877 -3.707 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.870 9.710 -2.715 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.405 8.677 -4.052 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.620 11.649 -4.480 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.749 11.876 -3.835 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.735 11.387 -2.457 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.756 10.185 -3.281 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.149 11.200 -6.134 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.140 9.481 -5.673 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.298 10.207 -6.429 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.870 11.057 -3.119 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.558 12.297 -2.800 1.00 0.99 C ATOM 1127 C LYS A 72 -5.478 12.079 -1.611 1.00 0.95 C ATOM 1128 O LYS A 72 -5.719 10.941 -1.213 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.372 12.779 -4.005 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.354 14.288 -4.193 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.565 14.672 -5.647 1.00 1.29 C ATOM 1132 CE LYS A 72 -4.325 14.395 -6.480 1.00 1.62 C ATOM 1133 NZ LYS A 72 -4.579 14.603 -7.925 1.00 1.90 N ATOM 0 H LYS A 72 -4.148 10.264 -2.540 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.818 13.058 -2.551 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.984 12.305 -4.907 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.404 12.449 -3.890 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -6.133 14.741 -3.580 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.401 14.687 -3.845 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.410 14.115 -6.053 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -5.820 15.730 -5.712 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -3.515 15.048 -6.155 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -3.995 13.370 -6.312 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -3.675 14.605 -8.440 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -5.181 13.835 -8.286 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -5.060 15.515 -8.065 1.00 1.90 H new ATOM 1147 N GLU A 73 -5.981 13.166 -1.043 1.00 1.00 N ATOM 1148 CA GLU A 73 -6.887 13.085 0.092 1.00 1.01 C ATOM 1149 C GLU A 73 -8.282 12.752 -0.415 1.00 0.98 C ATOM 1150 O GLU A 73 -9.087 12.128 0.276 1.00 1.01 O ATOM 1151 CB GLU A 73 -6.902 14.408 0.864 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.592 15.177 0.784 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.582 16.207 -0.330 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.935 15.859 -1.477 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -5.211 17.371 -0.066 1.00 1.98 O ATOM 0 H GLU A 73 -5.776 14.116 -1.351 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.548 12.304 0.772 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.705 15.035 0.477 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.131 14.205 1.910 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -5.410 15.676 1.736 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -4.773 14.475 0.631 1.00 1.33 H new ATOM 1162 N MET A 74 -8.547 13.196 -1.635 1.00 1.01 N ATOM 1163 CA MET A 74 -9.812 12.958 -2.312 1.00 1.03 C ATOM 1164 C MET A 74 -9.604 13.131 -3.810 1.00 1.05 C ATOM 1165 O MET A 74 -9.039 14.133 -4.250 1.00 1.16 O ATOM 1166 CB MET A 74 -10.914 13.904 -1.806 1.00 1.15 C ATOM 1167 CG MET A 74 -10.530 15.374 -1.789 1.00 1.26 C ATOM 1168 SD MET A 74 -9.891 15.910 -0.189 1.00 1.65 S ATOM 1169 CE MET A 74 -9.778 17.678 -0.450 1.00 1.77 C ATOM 0 H MET A 74 -7.882 13.737 -2.188 1.00 1.01 H new ATOM 0 HA MET A 74 -10.142 11.942 -2.096 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.797 13.780 -2.434 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.196 13.604 -0.797 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.777 15.557 -2.556 1.00 1.26 H new ATOM 0 HG3 MET A 74 -11.401 15.976 -2.047 1.00 1.26 H new ATOM 0 HE1 MET A 74 -9.397 18.155 0.453 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.102 17.881 -1.281 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.766 18.076 -0.681 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.028 12.146 -4.592 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.850 12.209 -6.033 1.00 1.14 C ATOM 1181 C GLU A 75 -11.079 11.691 -6.782 1.00 1.13 C ATOM 1182 O GLU A 75 -11.945 12.467 -7.182 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.608 11.405 -6.439 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.297 11.447 -7.929 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.678 12.759 -8.371 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.424 13.741 -8.578 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.441 12.810 -8.525 1.00 1.89 O ATOM 0 H GLU A 75 -10.493 11.303 -4.255 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.716 13.255 -6.307 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.747 11.785 -5.889 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.746 10.367 -6.137 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.618 10.631 -8.175 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.216 11.278 -8.491 1.00 1.28 H new ATOM 1194 N THR A 76 -11.162 10.379 -6.947 1.00 1.06 N ATOM 1195 CA THR A 76 -12.255 9.759 -7.680 1.00 1.09 C ATOM 1196 C THR A 76 -13.351 9.243 -6.740 1.00 1.04 C ATOM 1197 O THR A 76 -13.118 9.101 -5.540 1.00 0.98 O ATOM 1198 CB THR A 76 -11.706 8.606 -8.538 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.381 8.274 -8.096 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.659 8.992 -10.011 1.00 1.29 C ATOM 0 H THR A 76 -10.478 9.718 -6.579 1.00 1.06 H new ATOM 0 HA THR A 76 -12.706 10.516 -8.322 1.00 1.09 H new ATOM 0 HB THR A 76 -12.369 7.748 -8.425 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.890 7.844 -8.827 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.267 8.158 -10.593 1.00 1.29 H new ATOM 0 HG22 THR A 76 -12.664 9.235 -10.356 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.012 9.860 -10.139 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.561 8.976 -7.280 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.701 8.470 -6.496 1.00 1.14 C ATOM 1210 C PRO A 77 -15.380 7.195 -5.714 1.00 1.01 C ATOM 1211 O PRO A 77 -14.507 6.412 -6.100 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.764 8.179 -7.556 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.420 9.076 -8.694 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.924 9.174 -8.697 1.00 1.24 C ATOM 0 HA PRO A 77 -16.007 9.192 -5.738 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.746 7.132 -7.858 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.766 8.385 -7.179 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.787 8.671 -9.637 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.876 10.058 -8.570 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.474 8.415 -9.336 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.586 10.142 -9.066 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.134 6.987 -4.639 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.958 5.834 -3.759 1.00 0.97 C ATOM 1224 C LEU A 78 -16.181 4.520 -4.509 1.00 0.95 C ATOM 1225 O LEU A 78 -15.502 3.523 -4.257 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.930 5.925 -2.581 1.00 1.07 C ATOM 1227 CG LEU A 78 -17.173 7.337 -2.037 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -18.555 7.436 -1.414 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.110 7.709 -1.017 1.00 1.22 C ATOM 0 H LEU A 78 -16.886 7.614 -4.352 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.932 5.846 -3.392 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.887 5.503 -2.888 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.552 5.302 -1.771 1.00 1.07 H new ATOM 0 HG LEU A 78 -17.114 8.038 -2.870 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -18.711 8.445 -1.033 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -19.310 7.212 -2.167 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.637 6.722 -0.594 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.301 8.715 -0.643 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -16.138 7.002 -0.188 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -15.127 7.677 -1.487 1.00 1.22 H new ATOM 1241 N SER A 79 -17.128 4.530 -5.436 1.00 1.07 N ATOM 1242 CA SER A 79 -17.454 3.351 -6.226 1.00 1.12 C ATOM 1243 C SER A 79 -16.275 2.910 -7.093 1.00 1.00 C ATOM 1244 O SER A 79 -16.156 1.740 -7.459 1.00 1.04 O ATOM 1245 CB SER A 79 -18.671 3.658 -7.099 1.00 1.31 C ATOM 1246 OG SER A 79 -18.663 5.019 -7.509 1.00 1.68 O ATOM 0 H SER A 79 -17.690 5.351 -5.661 1.00 1.07 H new ATOM 0 HA SER A 79 -17.681 2.529 -5.547 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.670 3.009 -7.975 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.585 3.445 -6.545 1.00 1.31 H new ATOM 0 HG SER A 79 -19.237 5.544 -6.913 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.391 3.846 -7.401 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.234 3.552 -8.225 1.00 0.88 C ATOM 1254 C ALA A 80 -13.005 3.286 -7.364 1.00 0.74 C ATOM 1255 O ALA A 80 -11.917 3.051 -7.883 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.971 4.699 -9.188 1.00 1.02 C ATOM 0 H ALA A 80 -15.455 4.816 -7.091 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.443 2.650 -8.801 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -13.100 4.467 -9.801 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.840 4.841 -9.831 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.784 5.612 -8.623 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.187 3.293 -6.047 1.00 0.66 N ATOM 1263 CA LEU A 81 -12.088 3.065 -5.110 1.00 0.55 C ATOM 1264 C LEU A 81 -11.690 1.592 -5.054 1.00 0.52 C ATOM 1265 O LEU A 81 -10.874 1.190 -4.222 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.483 3.538 -3.709 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.699 4.731 -3.159 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.224 4.395 -3.035 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.896 5.958 -4.038 1.00 0.75 C ATOM 0 H LEU A 81 -14.090 3.455 -5.601 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.231 3.637 -5.466 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.542 3.798 -3.720 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.367 2.703 -3.019 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.083 4.958 -2.164 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.686 5.258 -2.642 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.099 3.550 -2.358 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.826 4.135 -4.016 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.330 6.794 -3.628 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.546 5.743 -5.047 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -12.954 6.217 -4.069 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.256 0.795 -5.946 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.953 -0.618 -5.974 1.00 0.62 C ATOM 1283 C GLY A 82 -12.934 -1.415 -5.143 1.00 0.63 C ATOM 1284 O GLY A 82 -12.541 -2.125 -4.218 1.00 0.64 O ATOM 0 H GLY A 82 -12.923 1.104 -6.654 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.974 -0.975 -7.004 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.942 -0.781 -5.600 1.00 0.62 H new ATOM 1288 N MET A 83 -14.215 -1.281 -5.469 1.00 0.84 N ATOM 1289 CA MET A 83 -15.270 -1.991 -4.757 1.00 1.01 C ATOM 1290 C MET A 83 -15.171 -3.492 -5.025 1.00 0.98 C ATOM 1291 O MET A 83 -15.679 -3.995 -6.029 1.00 1.26 O ATOM 1292 CB MET A 83 -16.652 -1.461 -5.167 1.00 1.34 C ATOM 1293 CG MET A 83 -16.849 -1.345 -6.672 1.00 1.54 C ATOM 1294 SD MET A 83 -18.535 -0.906 -7.129 1.00 2.03 S ATOM 1295 CE MET A 83 -18.342 -0.687 -8.897 1.00 2.27 C ATOM 0 H MET A 83 -14.548 -0.684 -6.226 1.00 0.84 H new ATOM 0 HA MET A 83 -15.142 -1.819 -3.688 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.418 -2.121 -4.760 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.803 -0.481 -4.715 1.00 1.34 H new ATOM 0 HG2 MET A 83 -16.164 -0.594 -7.066 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.586 -2.293 -7.141 1.00 1.54 H new ATOM 0 HE1 MET A 83 -19.301 -0.411 -9.336 1.00 2.27 H new ATOM 0 HE2 MET A 83 -17.614 0.102 -9.089 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.993 -1.618 -9.343 1.00 2.27 H new ATOM 1305 N GLN A 84 -14.472 -4.194 -4.147 1.00 0.89 N ATOM 1306 CA GLN A 84 -14.297 -5.633 -4.278 1.00 0.89 C ATOM 1307 C GLN A 84 -13.773 -6.230 -2.975 1.00 0.84 C ATOM 1308 O GLN A 84 -14.495 -6.304 -1.984 1.00 1.06 O ATOM 1309 CB GLN A 84 -13.353 -5.969 -5.448 1.00 0.92 C ATOM 1310 CG GLN A 84 -12.144 -5.046 -5.570 1.00 0.99 C ATOM 1311 CD GLN A 84 -11.984 -4.460 -6.964 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -10.868 -4.236 -7.430 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -13.097 -4.189 -7.630 1.00 1.38 N ATOM 0 H GLN A 84 -14.014 -3.788 -3.331 1.00 0.89 H new ATOM 0 HA GLN A 84 -15.270 -6.075 -4.493 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -13.001 -6.994 -5.332 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.920 -5.930 -6.378 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -12.239 -4.234 -4.849 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -11.242 -5.600 -5.309 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -14.004 -4.389 -7.210 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -13.046 -3.780 -8.563 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.513 -6.643 -2.978 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.893 -7.233 -1.800 1.00 0.78 C ATOM 1324 C ASN A 85 -10.731 -6.377 -1.310 1.00 0.72 C ATOM 1325 O ASN A 85 -10.043 -6.741 -0.357 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.403 -8.650 -2.109 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.404 -8.695 -3.250 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -10.321 -7.776 -4.066 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.639 -9.767 -3.323 1.00 1.09 N ATOM 0 H ASN A 85 -11.897 -6.580 -3.789 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.644 -7.280 -1.011 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -10.945 -9.073 -1.215 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.258 -9.279 -2.357 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -8.952 -9.853 -4.072 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.734 -10.510 -2.630 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.524 -5.243 -1.965 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.449 -4.348 -1.586 1.00 0.57 C ATOM 1338 C GLY A 86 -8.563 -3.985 -2.760 1.00 0.51 C ATOM 1339 O GLY A 86 -8.053 -2.866 -2.833 1.00 0.49 O ATOM 0 H GLY A 86 -11.084 -4.926 -2.756 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.870 -3.439 -1.157 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.845 -4.817 -0.809 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.400 -4.936 -3.681 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.569 -4.750 -4.869 1.00 0.62 C ATOM 1345 C CYS A 87 -6.095 -4.626 -4.476 1.00 0.65 C ATOM 1346 O CYS A 87 -5.656 -5.222 -3.489 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.026 -3.519 -5.661 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.761 -3.648 -7.445 1.00 0.79 S ATOM 0 H CYS A 87 -8.840 -5.855 -3.624 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.681 -5.625 -5.509 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.087 -3.353 -5.473 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.495 -2.643 -5.288 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.888 -3.923 -8.032 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.327 -3.871 -5.255 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.909 -3.677 -4.979 1.00 0.77 C ATOM 1356 C ARG A 88 -3.532 -2.217 -5.166 1.00 0.75 C ATOM 1357 O ARG A 88 -4.157 -1.508 -5.952 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.047 -4.548 -5.904 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.311 -6.038 -5.780 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.110 -6.558 -6.965 1.00 1.11 C ATOM 1361 NE ARG A 88 -3.383 -6.402 -8.224 1.00 1.27 N ATOM 1362 CZ ARG A 88 -3.947 -6.054 -9.381 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -5.255 -5.818 -9.451 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -3.194 -5.942 -10.466 1.00 1.74 N ATOM 0 H ARG A 88 -5.665 -3.383 -6.084 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.725 -3.971 -3.946 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.221 -4.244 -6.936 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -1.996 -4.357 -5.688 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.364 -6.573 -5.714 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.854 -6.238 -4.856 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.346 -7.611 -6.810 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.059 -6.025 -7.025 1.00 1.11 H new ATOM 0 HE ARG A 88 -2.377 -6.571 -8.217 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -5.834 -5.903 -8.616 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -5.678 -5.552 -10.340 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -2.191 -6.122 -10.412 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -3.617 -5.676 -11.355 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.517 -1.772 -4.435 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.043 -0.399 -4.529 1.00 0.79 C ATOM 1380 C VAL A 89 -0.517 -0.367 -4.527 1.00 0.92 C ATOM 1381 O VAL A 89 0.128 -1.008 -3.695 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.573 0.499 -3.385 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -4.019 0.899 -3.632 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.437 -0.185 -2.036 1.00 0.69 C ATOM 0 H VAL A 89 -2.004 -2.347 -3.767 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.430 -0.000 -5.467 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.962 1.402 -3.369 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.367 1.529 -2.814 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.089 1.450 -4.570 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.639 0.004 -3.690 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.818 0.472 -1.255 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -3.008 -1.113 -2.040 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.387 -0.406 -1.844 1.00 0.69 H new ATOM 1394 N MET A 90 0.053 0.367 -5.467 1.00 0.97 N ATOM 1395 CA MET A 90 1.497 0.479 -5.576 1.00 1.10 C ATOM 1396 C MET A 90 1.907 1.939 -5.569 1.00 1.14 C ATOM 1397 O MET A 90 1.151 2.806 -6.010 1.00 1.13 O ATOM 1398 CB MET A 90 2.004 -0.196 -6.855 1.00 1.21 C ATOM 1399 CG MET A 90 1.779 0.623 -8.120 1.00 1.49 C ATOM 1400 SD MET A 90 3.029 0.308 -9.377 1.00 1.66 S ATOM 1401 CE MET A 90 2.825 1.747 -10.422 1.00 2.09 C ATOM 0 H MET A 90 -0.465 0.896 -6.168 1.00 0.97 H new ATOM 0 HA MET A 90 1.943 -0.026 -4.719 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.070 -0.397 -6.749 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.508 -1.160 -6.966 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.794 0.394 -8.527 1.00 1.49 H new ATOM 0 HG3 MET A 90 1.781 1.683 -7.868 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.532 1.699 -11.250 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.808 1.771 -10.814 1.00 2.09 H new ATOM 0 HE3 MET A 90 3.010 2.649 -9.839 1.00 2.09 H new ATOM 1411 N LEU A 91 3.098 2.213 -5.072 1.00 1.21 N ATOM 1412 CA LEU A 91 3.592 3.575 -5.020 1.00 1.27 C ATOM 1413 C LEU A 91 5.039 3.650 -5.483 1.00 1.41 C ATOM 1414 O LEU A 91 5.861 2.788 -5.155 1.00 1.47 O ATOM 1415 CB LEU A 91 3.396 4.206 -3.615 1.00 1.22 C ATOM 1416 CG LEU A 91 4.256 3.704 -2.428 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.279 2.190 -2.332 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.670 4.270 -2.478 1.00 1.42 C ATOM 0 H LEU A 91 3.739 1.513 -4.700 1.00 1.21 H new ATOM 0 HA LEU A 91 2.997 4.169 -5.714 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.566 5.278 -3.712 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.350 4.073 -3.340 1.00 1.22 H new ATOM 0 HG LEU A 91 3.778 4.077 -1.522 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.895 1.888 -1.485 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.264 1.819 -2.193 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.695 1.774 -3.249 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.242 3.895 -1.629 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.153 3.962 -3.406 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.628 5.358 -2.435 1.00 1.42 H new ATOM 1430 N ILE A 92 5.338 4.673 -6.269 1.00 1.50 N ATOM 1431 CA ILE A 92 6.685 4.879 -6.779 1.00 1.65 C ATOM 1432 C ILE A 92 7.351 6.024 -6.030 1.00 1.71 C ATOM 1433 O ILE A 92 7.293 7.178 -6.454 1.00 1.89 O ATOM 1434 CB ILE A 92 6.692 5.181 -8.295 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.707 4.266 -9.027 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.096 5.006 -8.863 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.517 4.619 -10.485 1.00 1.79 C ATOM 0 H ILE A 92 4.663 5.376 -6.569 1.00 1.50 H new ATOM 0 HA ILE A 92 7.240 3.954 -6.621 1.00 1.65 H new ATOM 0 HB ILE A 92 6.381 6.215 -8.443 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.058 3.237 -8.954 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.741 4.309 -8.523 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.086 5.222 -9.931 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.780 5.691 -8.361 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.428 3.980 -8.703 1.00 1.96 H new ATOM 0 HD11 ILE A 92 4.806 3.928 -10.937 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.135 5.637 -10.566 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.473 4.547 -11.004 1.00 1.79 H new ATOM 1449 N GLY A 93 7.955 5.699 -4.899 1.00 1.73 N ATOM 1450 CA GLY A 93 8.621 6.696 -4.090 1.00 1.80 C ATOM 1451 C GLY A 93 9.286 6.075 -2.883 1.00 1.84 C ATOM 1452 O GLY A 93 9.955 5.050 -3.004 1.00 1.89 O ATOM 0 H GLY A 93 7.996 4.751 -4.524 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.367 7.215 -4.691 1.00 1.80 H new ATOM 0 HA3 GLY A 93 7.898 7.444 -3.764 1.00 1.80 H new ATOM 1456 N GLU A 94 9.085 6.666 -1.717 1.00 1.88 N ATOM 1457 CA GLU A 94 9.679 6.146 -0.496 1.00 1.97 C ATOM 1458 C GLU A 94 8.658 5.348 0.305 1.00 1.80 C ATOM 1459 O GLU A 94 7.454 5.567 0.194 1.00 1.84 O ATOM 1460 CB GLU A 94 10.236 7.285 0.355 1.00 2.22 C ATOM 1461 CG GLU A 94 11.721 7.150 0.636 1.00 2.66 C ATOM 1462 CD GLU A 94 12.245 8.239 1.549 1.00 2.63 C ATOM 1463 OE1 GLU A 94 12.027 8.147 2.777 1.00 3.03 O ATOM 1464 OE2 GLU A 94 12.895 9.176 1.047 1.00 2.85 O ATOM 0 H GLU A 94 8.517 7.504 -1.590 1.00 1.88 H new ATOM 0 HA GLU A 94 10.497 5.482 -0.775 1.00 1.97 H new ATOM 0 HB2 GLU A 94 10.053 8.232 -0.153 1.00 2.22 H new ATOM 0 HB3 GLU A 94 9.696 7.321 1.301 1.00 2.22 H new ATOM 0 HG2 GLU A 94 11.914 6.178 1.089 1.00 2.66 H new ATOM 0 HG3 GLU A 94 12.269 7.177 -0.306 1.00 2.66 H new ATOM 1471 N LYS A 95 9.151 4.411 1.095 1.00 1.82 N ATOM 1472 CA LYS A 95 8.301 3.577 1.927 1.00 1.72 C ATOM 1473 C LYS A 95 9.040 3.257 3.219 1.00 1.77 C ATOM 1474 O LYS A 95 9.131 2.103 3.640 1.00 1.96 O ATOM 1475 CB LYS A 95 7.913 2.291 1.197 1.00 1.81 C ATOM 1476 CG LYS A 95 6.501 1.820 1.510 1.00 1.79 C ATOM 1477 CD LYS A 95 6.228 0.445 0.927 1.00 2.06 C ATOM 1478 CE LYS A 95 4.825 -0.038 1.256 1.00 2.15 C ATOM 1479 NZ LYS A 95 4.509 -1.322 0.570 1.00 2.38 N ATOM 0 H LYS A 95 10.147 4.207 1.178 1.00 1.82 H new ATOM 0 HA LYS A 95 7.381 4.115 2.154 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.005 2.450 0.123 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.618 1.504 1.464 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.357 1.793 2.590 1.00 1.79 H new ATOM 0 HG3 LYS A 95 5.782 2.535 1.110 1.00 1.79 H new ATOM 0 HD2 LYS A 95 6.357 0.476 -0.155 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.958 -0.266 1.315 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.728 -0.168 2.334 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.100 0.721 0.960 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 3.741 -1.806 1.077 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 4.212 -1.129 -0.408 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 5.354 -1.928 0.562 1.00 2.38 H new ATOM 1493 N SER A 96 9.583 4.303 3.825 1.00 1.80 N ATOM 1494 CA SER A 96 10.337 4.182 5.063 1.00 1.92 C ATOM 1495 C SER A 96 9.443 3.749 6.221 1.00 1.83 C ATOM 1496 O SER A 96 8.281 4.152 6.313 1.00 1.95 O ATOM 1497 CB SER A 96 11.011 5.517 5.375 1.00 2.15 C ATOM 1498 OG SER A 96 11.780 5.951 4.264 1.00 2.38 O ATOM 0 H SER A 96 9.513 5.258 3.473 1.00 1.80 H new ATOM 0 HA SER A 96 11.097 3.411 4.935 1.00 1.92 H new ATOM 0 HB2 SER A 96 10.257 6.265 5.618 1.00 2.15 H new ATOM 0 HB3 SER A 96 11.651 5.413 6.251 1.00 2.15 H new ATOM 0 HG SER A 96 11.522 6.866 4.025 1.00 2.38 H new ATOM 1504 N ASN A 97 9.992 2.921 7.093 1.00 1.89 N ATOM 1505 CA ASN A 97 9.262 2.426 8.245 1.00 1.93 C ATOM 1506 C ASN A 97 10.178 2.391 9.456 1.00 2.29 C ATOM 1507 O ASN A 97 11.333 1.938 9.309 1.00 2.53 O ATOM 1508 CB ASN A 97 8.691 1.032 7.962 1.00 1.89 C ATOM 1509 CG ASN A 97 8.257 0.307 9.223 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.987 -0.533 9.751 1.00 2.24 O ATOM 1511 ND2 ASN A 97 7.069 0.622 9.716 1.00 1.96 N ATOM 1512 OXT ASN A 97 9.753 2.830 10.543 1.00 2.61 O ATOM 0 H ASN A 97 10.949 2.576 7.023 1.00 1.89 H new ATOM 0 HA ASN A 97 8.429 3.098 8.451 1.00 1.93 H new ATOM 0 HB2 ASN A 97 7.838 1.123 7.289 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.442 0.435 7.445 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.730 0.164 10.562 1.00 1.96 H new ATOM 0 HD22 ASN A 97 6.493 1.323 9.250 1.00 1.96 H new ATOM 1609 N ARG B 189 15.647 -1.205 2.979 1.00 2.02 N ATOM 1610 CA ARG B 189 15.310 -1.607 1.610 1.00 1.77 C ATOM 1611 C ARG B 189 15.713 -0.515 0.625 1.00 1.33 C ATOM 1612 O ARG B 189 15.094 -0.344 -0.426 1.00 1.67 O ATOM 1613 CB ARG B 189 13.815 -1.927 1.471 1.00 2.37 C ATOM 1614 CG ARG B 189 13.409 -3.246 2.104 1.00 3.12 C ATOM 1615 CD ARG B 189 11.904 -3.446 2.060 1.00 3.82 C ATOM 1616 NE ARG B 189 11.528 -4.816 2.402 1.00 4.33 N ATOM 1617 CZ ARG B 189 10.307 -5.197 2.775 1.00 4.83 C ATOM 1618 NH1 ARG B 189 9.313 -4.320 2.849 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.080 -6.469 3.058 1.00 5.48 N ATOM 0 HA ARG B 189 15.867 -2.515 1.381 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.237 -1.123 1.927 1.00 2.37 H new ATOM 0 HB3 ARG B 189 13.554 -1.947 0.413 1.00 2.37 H new ATOM 0 HG2 ARG B 189 13.901 -4.067 1.583 1.00 3.12 H new ATOM 0 HG3 ARG B 189 13.751 -3.274 3.139 1.00 3.12 H new ATOM 0 HD2 ARG B 189 11.425 -2.754 2.753 1.00 3.82 H new ATOM 0 HD3 ARG B 189 11.534 -3.206 1.063 1.00 3.82 H new ATOM 0 HE ARG B 189 12.252 -5.532 2.352 1.00 4.33 H new ATOM 0 HH11 ARG B 189 9.479 -3.340 2.619 1.00 4.91 H new ATOM 0 HH12 ARG B 189 8.383 -4.626 3.136 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.837 -7.150 2.990 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.148 -6.769 3.344 1.00 5.48 H new ATOM 1633 N GLY B 190 16.751 0.231 0.983 1.00 1.17 N ATOM 1634 CA GLY B 190 17.237 1.292 0.127 1.00 1.54 C ATOM 1635 C GLY B 190 18.485 0.874 -0.618 1.00 1.70 C ATOM 1636 O GLY B 190 19.571 1.409 -0.382 1.00 1.97 O ATOM 0 H GLY B 190 17.266 0.118 1.856 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.461 1.569 -0.587 1.00 1.54 H new ATOM 0 HA3 GLY B 190 17.449 2.177 0.727 1.00 1.54 H new ATOM 1640 N GLY B 191 18.332 -0.101 -1.504 1.00 1.91 N ATOM 1641 CA GLY B 191 19.457 -0.601 -2.270 1.00 2.36 C ATOM 1642 C GLY B 191 19.969 -1.897 -1.687 1.00 2.17 C ATOM 1643 O GLY B 191 20.151 -2.887 -2.399 1.00 2.71 O ATOM 0 H GLY B 191 17.443 -0.557 -1.707 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.157 -0.757 -3.306 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.256 0.140 -2.278 1.00 2.36 H new ATOM 1647 N TYR B 192 20.188 -1.878 -0.383 1.00 1.71 N ATOM 1648 CA TYR B 192 20.655 -3.039 0.353 1.00 1.86 C ATOM 1649 C TYR B 192 19.759 -3.237 1.570 1.00 1.87 C ATOM 1650 O TYR B 192 18.732 -2.564 1.686 1.00 2.21 O ATOM 1651 CB TYR B 192 22.119 -2.866 0.779 1.00 1.91 C ATOM 1652 CG TYR B 192 23.106 -3.595 -0.113 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.046 -3.479 -1.497 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.094 -4.406 0.431 1.00 2.80 C ATOM 1655 CE1 TYR B 192 23.941 -4.148 -2.313 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.993 -5.077 -0.377 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.913 -4.945 -1.749 1.00 3.77 C ATOM 1658 OH TYR B 192 25.806 -5.615 -2.560 1.00 4.48 O ATOM 0 H TYR B 192 20.046 -1.051 0.197 1.00 1.71 H new ATOM 0 HA TYR B 192 20.605 -3.920 -0.287 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.363 -1.804 0.783 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.235 -3.224 1.802 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.286 -2.855 -1.944 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.161 -4.514 1.503 1.00 2.80 H new ATOM 0 HE1 TYR B 192 23.878 -4.046 -3.386 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.755 -5.702 0.064 1.00 3.41 H new ATOM 0 HH TYR B 192 26.427 -6.132 -2.006 1.00 4.48 H new ATOM 1668 N ASP B 193 20.153 -4.135 2.471 1.00 2.08 N ATOM 1669 CA ASP B 193 19.368 -4.427 3.675 1.00 2.57 C ATOM 1670 C ASP B 193 18.954 -3.150 4.412 1.00 2.39 C ATOM 1671 O ASP B 193 17.772 -2.786 4.430 1.00 2.59 O ATOM 1672 CB ASP B 193 20.156 -5.344 4.614 1.00 3.18 C ATOM 1673 CG ASP B 193 19.398 -5.649 5.889 1.00 3.84 C ATOM 1674 OD1 ASP B 193 18.334 -6.297 5.815 1.00 4.22 O ATOM 1675 OD2 ASP B 193 19.860 -5.234 6.970 1.00 4.14 O ATOM 0 H ASP B 193 21.014 -4.676 2.392 1.00 2.08 H new ATOM 0 HA ASP B 193 18.457 -4.934 3.355 1.00 2.57 H new ATOM 0 HB2 ASP B 193 20.386 -6.277 4.099 1.00 3.18 H new ATOM 0 HB3 ASP B 193 21.107 -4.874 4.863 1.00 3.18 H new ATOM 1680 N VAL B 194 19.919 -2.470 5.016 1.00 2.39 N ATOM 1681 CA VAL B 194 19.631 -1.238 5.743 1.00 2.62 C ATOM 1682 C VAL B 194 20.902 -0.407 5.961 1.00 2.80 C ATOM 1683 O VAL B 194 20.837 0.742 6.394 1.00 3.15 O ATOM 1684 CB VAL B 194 18.944 -1.540 7.100 1.00 3.43 C ATOM 1685 CG1 VAL B 194 19.930 -2.116 8.102 1.00 3.97 C ATOM 1686 CG2 VAL B 194 18.266 -0.298 7.660 1.00 3.78 C ATOM 0 H VAL B 194 20.901 -2.746 5.018 1.00 2.39 H new ATOM 0 HA VAL B 194 18.945 -0.652 5.132 1.00 2.62 H new ATOM 0 HB VAL B 194 18.175 -2.291 6.919 1.00 3.43 H new ATOM 0 HG11 VAL B 194 19.417 -2.317 9.043 1.00 3.97 H new ATOM 0 HG12 VAL B 194 20.346 -3.044 7.710 1.00 3.97 H new ATOM 0 HG13 VAL B 194 20.735 -1.401 8.273 1.00 3.97 H new ATOM 0 HG21 VAL B 194 17.793 -0.540 8.612 1.00 3.78 H new ATOM 0 HG22 VAL B 194 19.009 0.485 7.813 1.00 3.78 H new ATOM 0 HG23 VAL B 194 17.510 0.052 6.957 1.00 3.78 H new ATOM 1696 N GLU B 195 22.055 -0.980 5.636 1.00 2.75 N ATOM 1697 CA GLU B 195 23.328 -0.283 5.796 1.00 3.12 C ATOM 1698 C GLU B 195 23.563 0.696 4.649 1.00 2.88 C ATOM 1699 O GLU B 195 22.724 0.841 3.756 1.00 2.39 O ATOM 1700 CB GLU B 195 24.483 -1.285 5.853 1.00 3.40 C ATOM 1701 CG GLU B 195 25.158 -1.374 7.213 1.00 4.16 C ATOM 1702 CD GLU B 195 25.873 -0.099 7.619 1.00 4.65 C ATOM 1703 OE1 GLU B 195 26.318 0.656 6.730 1.00 5.02 O ATOM 1704 OE2 GLU B 195 26.000 0.152 8.833 1.00 4.87 O ATOM 0 H GLU B 195 22.136 -1.925 5.260 1.00 2.75 H new ATOM 0 HA GLU B 195 23.286 0.274 6.732 1.00 3.12 H new ATOM 0 HB2 GLU B 195 24.109 -2.271 5.579 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.228 -1.008 5.107 1.00 3.40 H new ATOM 0 HG2 GLU B 195 24.409 -1.616 7.966 1.00 4.16 H new ATOM 0 HG3 GLU B 195 25.875 -2.195 7.201 1.00 4.16 H new ATOM 1711 N ASN B 196 24.712 1.358 4.686 1.00 3.43 N ATOM 1712 CA ASN B 196 25.094 2.312 3.654 1.00 3.64 C ATOM 1713 C ASN B 196 25.466 1.558 2.389 1.00 3.41 C ATOM 1714 O ASN B 196 25.205 2.026 1.282 1.00 3.56 O ATOM 1715 CB ASN B 196 26.282 3.159 4.125 1.00 4.47 C ATOM 1716 CG ASN B 196 26.566 4.339 3.213 1.00 4.94 C ATOM 1717 OD1 ASN B 196 26.088 5.448 3.452 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.341 4.112 2.163 1.00 5.14 N ATOM 0 H ASN B 196 25.402 1.249 5.429 1.00 3.43 H new ATOM 0 HA ASN B 196 24.254 2.976 3.451 1.00 3.64 H new ATOM 0 HB2 ASN B 196 26.084 3.525 5.133 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.170 2.529 4.183 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.561 4.871 1.518 1.00 5.14 H new ATOM 0 HD22 ASN B 196 27.718 3.178 2.000 1.00 5.14 H new ATOM 1725 N GLU B 197 26.073 0.384 2.595 1.00 3.29 N ATOM 1726 CA GLU B 197 26.513 -0.513 1.521 1.00 3.26 C ATOM 1727 C GLU B 197 27.741 0.042 0.795 1.00 3.82 C ATOM 1728 O GLU B 197 28.047 1.234 0.887 1.00 4.30 O ATOM 1729 CB GLU B 197 25.360 -0.827 0.548 1.00 2.93 C ATOM 1730 CG GLU B 197 25.402 -0.067 -0.768 1.00 3.10 C ATOM 1731 CD GLU B 197 25.618 -0.981 -1.952 1.00 3.38 C ATOM 1732 OE1 GLU B 197 26.494 -1.868 -1.867 1.00 3.60 O ATOM 1733 OE2 GLU B 197 24.919 -0.807 -2.972 1.00 3.83 O ATOM 0 H GLU B 197 26.276 0.025 3.528 1.00 3.29 H new ATOM 0 HA GLU B 197 26.814 -1.456 1.978 1.00 3.26 H new ATOM 0 HB2 GLU B 197 25.367 -1.896 0.333 1.00 2.93 H new ATOM 0 HB3 GLU B 197 24.415 -0.609 1.046 1.00 2.93 H new ATOM 0 HG2 GLU B 197 24.468 0.479 -0.899 1.00 3.10 H new ATOM 0 HG3 GLU B 197 26.202 0.673 -0.732 1.00 3.10 H new ATOM 1740 N GLU B 198 28.452 -0.840 0.091 1.00 3.91 N ATOM 1741 CA GLU B 198 29.658 -0.457 -0.635 1.00 4.52 C ATOM 1742 C GLU B 198 30.077 -1.557 -1.609 1.00 4.64 C ATOM 1743 O GLU B 198 31.266 -1.757 -1.859 1.00 5.16 O ATOM 1744 CB GLU B 198 30.797 -0.185 0.356 1.00 4.90 C ATOM 1745 CG GLU B 198 31.392 1.210 0.244 1.00 5.36 C ATOM 1746 CD GLU B 198 32.252 1.376 -0.992 1.00 5.99 C ATOM 1747 OE1 GLU B 198 31.704 1.680 -2.073 1.00 6.45 O ATOM 1748 OE2 GLU B 198 33.484 1.208 -0.886 1.00 6.25 O ATOM 0 H GLU B 198 28.210 -1.828 0.010 1.00 3.91 H new ATOM 0 HA GLU B 198 29.444 0.448 -1.204 1.00 4.52 H new ATOM 0 HB2 GLU B 198 30.425 -0.330 1.370 1.00 4.90 H new ATOM 0 HB3 GLU B 198 31.586 -0.920 0.198 1.00 4.90 H new ATOM 0 HG2 GLU B 198 30.587 1.944 0.224 1.00 5.36 H new ATOM 0 HG3 GLU B 198 31.991 1.418 1.130 1.00 5.36 H new ATOM 1755 N LYS B 199 29.107 -2.272 -2.162 1.00 4.32 N ATOM 1756 CA LYS B 199 29.403 -3.352 -3.095 1.00 4.64 C ATOM 1757 C LYS B 199 28.551 -3.252 -4.357 1.00 4.89 C ATOM 1758 O LYS B 199 29.049 -3.461 -5.464 1.00 5.53 O ATOM 1759 CB LYS B 199 29.190 -4.715 -2.430 1.00 4.38 C ATOM 1760 CG LYS B 199 30.457 -5.315 -1.841 1.00 4.54 C ATOM 1761 CD LYS B 199 30.738 -4.782 -0.444 1.00 4.53 C ATOM 1762 CE LYS B 199 32.201 -4.953 -0.060 1.00 4.41 C ATOM 1763 NZ LYS B 199 32.629 -6.376 -0.082 1.00 4.56 N ATOM 0 H LYS B 199 28.114 -2.126 -1.983 1.00 4.32 H new ATOM 0 HA LYS B 199 30.450 -3.255 -3.383 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.447 -4.611 -1.639 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.779 -5.407 -3.165 1.00 4.38 H new ATOM 0 HG2 LYS B 199 30.362 -6.400 -1.804 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.302 -5.091 -2.492 1.00 4.54 H new ATOM 0 HD2 LYS B 199 30.470 -3.726 -0.397 1.00 4.53 H new ATOM 0 HD3 LYS B 199 30.109 -5.303 0.278 1.00 4.53 H new ATOM 0 HE2 LYS B 199 32.824 -4.378 -0.746 1.00 4.41 H new ATOM 0 HE3 LYS B 199 32.363 -4.543 0.937 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 33.617 -6.446 0.235 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 32.021 -6.931 0.553 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 32.549 -6.748 -1.050 1.00 4.56 H new ATOM 1777 N VAL B 200 27.273 -2.915 -4.174 1.00 4.46 N ATOM 1778 CA VAL B 200 26.319 -2.781 -5.277 1.00 4.74 C ATOM 1779 C VAL B 200 26.289 -4.048 -6.136 1.00 5.32 C ATOM 1780 O VAL B 200 26.588 -4.016 -7.331 1.00 5.99 O ATOM 1781 CB VAL B 200 26.628 -1.558 -6.176 1.00 5.22 C ATOM 1782 CG1 VAL B 200 25.394 -1.162 -6.975 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.122 -0.377 -5.351 1.00 4.96 C ATOM 0 H VAL B 200 26.870 -2.727 -3.256 1.00 4.46 H new ATOM 0 HA VAL B 200 25.341 -2.629 -4.820 1.00 4.74 H new ATOM 0 HB VAL B 200 27.421 -1.843 -6.867 1.00 5.22 H new ATOM 0 HG11 VAL B 200 25.627 -0.301 -7.602 1.00 5.43 H new ATOM 0 HG12 VAL B 200 25.085 -1.996 -7.605 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.585 -0.905 -6.291 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.330 0.466 -6.010 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.357 -0.092 -4.629 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.033 -0.658 -4.823 1.00 4.96 H new ATOM 1793 N LYS B 201 25.946 -5.173 -5.520 1.00 5.18 N ATOM 1794 CA LYS B 201 25.883 -6.436 -6.245 1.00 5.84 C ATOM 1795 C LYS B 201 24.705 -7.290 -5.784 1.00 5.78 C ATOM 1796 O LYS B 201 24.168 -8.086 -6.557 1.00 6.37 O ATOM 1797 CB LYS B 201 27.199 -7.212 -6.093 1.00 6.17 C ATOM 1798 CG LYS B 201 27.550 -7.567 -4.655 1.00 5.81 C ATOM 1799 CD LYS B 201 29.008 -7.990 -4.516 1.00 6.12 C ATOM 1800 CE LYS B 201 29.304 -9.268 -5.290 1.00 6.82 C ATOM 1801 NZ LYS B 201 28.478 -10.412 -4.816 1.00 7.02 N ATOM 0 H LYS B 201 25.709 -5.237 -4.530 1.00 5.18 H new ATOM 0 HA LYS B 201 25.732 -6.203 -7.299 1.00 5.84 H new ATOM 0 HB2 LYS B 201 27.136 -8.130 -6.677 1.00 6.17 H new ATOM 0 HB3 LYS B 201 28.009 -6.619 -6.517 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.358 -6.709 -4.011 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.903 -8.374 -4.312 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.654 -7.189 -4.876 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.244 -8.141 -3.462 1.00 6.12 H new ATOM 0 HE2 LYS B 201 29.117 -9.101 -6.351 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.360 -9.517 -5.188 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 28.857 -11.299 -5.206 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 28.504 -10.452 -3.777 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 27.496 -10.286 -5.133 1.00 7.02 H new ATOM 1815 N LEU B 202 24.299 -7.132 -4.530 1.00 5.18 N ATOM 1816 CA LEU B 202 23.185 -7.899 -3.994 1.00 5.23 C ATOM 1817 C LEU B 202 21.872 -7.161 -4.215 1.00 4.95 C ATOM 1818 O LEU B 202 21.688 -6.044 -3.739 1.00 4.37 O ATOM 1819 CB LEU B 202 23.385 -8.178 -2.501 1.00 4.91 C ATOM 1820 CG LEU B 202 24.631 -8.995 -2.146 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.649 -9.317 -0.660 1.00 5.10 C ATOM 1822 CD2 LEU B 202 24.693 -10.274 -2.970 1.00 6.12 C ATOM 0 H LEU B 202 24.724 -6.482 -3.869 1.00 5.18 H new ATOM 0 HA LEU B 202 23.146 -8.851 -4.523 1.00 5.23 H new ATOM 0 HB2 LEU B 202 23.434 -7.225 -1.974 1.00 4.91 H new ATOM 0 HB3 LEU B 202 22.507 -8.705 -2.126 1.00 4.91 H new ATOM 0 HG LEU B 202 25.510 -8.396 -2.382 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.541 -9.898 -0.424 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.658 -8.390 -0.087 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.761 -9.894 -0.402 1.00 5.10 H new ATOM 0 HD21 LEU B 202 25.586 -10.838 -2.700 1.00 6.12 H new ATOM 0 HD22 LEU B 202 23.808 -10.879 -2.770 1.00 6.12 H new ATOM 0 HD23 LEU B 202 24.729 -10.023 -4.030 1.00 6.12 H new ATOM 1834 N GLY B 203 20.964 -7.791 -4.944 1.00 5.44 N ATOM 1835 CA GLY B 203 19.678 -7.181 -5.217 1.00 5.30 C ATOM 1836 C GLY B 203 18.560 -7.834 -4.435 1.00 5.32 C ATOM 1837 O GLY B 203 17.398 -7.451 -4.556 1.00 5.33 O ATOM 0 H GLY B 203 21.094 -8.716 -5.353 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.721 -6.120 -4.970 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.463 -7.252 -6.283 1.00 5.30 H new ATOM 1841 N MET B 204 18.923 -8.820 -3.623 1.00 5.45 N ATOM 1842 CA MET B 204 17.960 -9.554 -2.806 1.00 5.69 C ATOM 1843 C MET B 204 17.163 -8.621 -1.893 1.00 5.11 C ATOM 1844 O MET B 204 15.936 -8.709 -1.827 1.00 5.36 O ATOM 1845 CB MET B 204 18.679 -10.624 -1.974 1.00 6.02 C ATOM 1846 CG MET B 204 19.819 -10.087 -1.119 1.00 5.50 C ATOM 1847 SD MET B 204 20.631 -11.369 -0.143 1.00 6.01 S ATOM 1848 CE MET B 204 21.368 -12.373 -1.431 1.00 6.67 C ATOM 0 H MET B 204 19.887 -9.133 -3.512 1.00 5.45 H new ATOM 0 HA MET B 204 17.254 -10.037 -3.481 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.952 -11.113 -1.325 1.00 6.02 H new ATOM 0 HB3 MET B 204 19.072 -11.388 -2.646 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.555 -9.608 -1.764 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.433 -9.318 -0.450 1.00 5.50 H new ATOM 0 HE1 MET B 204 22.229 -12.906 -1.029 1.00 6.67 H new ATOM 0 HE2 MET B 204 20.635 -13.092 -1.797 1.00 6.67 H new ATOM 0 HE3 MET B 204 21.689 -11.733 -2.253 1.00 6.67 H new ATOM 1858 N THR B 205 17.856 -7.717 -1.214 1.00 4.40 N ATOM 1859 CA THR B 205 17.215 -6.784 -0.299 1.00 3.86 C ATOM 1860 C THR B 205 17.193 -5.375 -0.885 1.00 3.22 C ATOM 1861 O THR B 205 17.189 -4.381 -0.160 1.00 2.61 O ATOM 1862 CB THR B 205 17.948 -6.781 1.058 1.00 3.67 C ATOM 1863 OG1 THR B 205 18.546 -8.067 1.283 1.00 3.95 O ATOM 1864 CG2 THR B 205 16.989 -6.459 2.198 1.00 4.16 C ATOM 0 H THR B 205 18.868 -7.610 -1.281 1.00 4.40 H new ATOM 0 HA THR B 205 16.186 -7.109 -0.147 1.00 3.86 H new ATOM 0 HB THR B 205 18.720 -6.012 1.030 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.013 -8.064 2.144 1.00 3.95 H new ATOM 0 HG21 THR B 205 17.532 -6.464 3.143 1.00 4.16 H new ATOM 0 HG22 THR B 205 16.550 -5.475 2.037 1.00 4.16 H new ATOM 0 HG23 THR B 205 16.198 -7.208 2.231 1.00 4.16 H new ATOM 1872 N ASN B 206 17.157 -5.293 -2.210 1.00 3.55 N ATOM 1873 CA ASN B 206 17.138 -4.004 -2.889 1.00 3.31 C ATOM 1874 C ASN B 206 15.814 -3.290 -2.648 1.00 3.04 C ATOM 1875 O ASN B 206 15.767 -2.065 -2.527 1.00 2.62 O ATOM 1876 CB ASN B 206 17.385 -4.185 -4.389 1.00 4.07 C ATOM 1877 CG ASN B 206 17.488 -2.867 -5.129 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.527 -2.416 -5.751 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.652 -2.243 -5.066 1.00 4.21 N ATOM 0 H ASN B 206 17.140 -6.101 -2.833 1.00 3.55 H new ATOM 0 HA ASN B 206 17.939 -3.388 -2.479 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.304 -4.752 -4.536 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.575 -4.775 -4.818 1.00 4.07 H new ATOM 0 HD21 ASN B 206 18.779 -1.351 -5.545 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.423 -2.653 -4.539 1.00 4.21 H new ATOM 1886 N SER B 207 14.738 -4.064 -2.592 1.00 3.47 N ATOM 1887 CA SER B 207 13.410 -3.519 -2.346 1.00 3.42 C ATOM 1888 C SER B 207 12.510 -4.570 -1.698 1.00 3.82 C ATOM 1889 O SER B 207 11.288 -4.489 -1.786 1.00 4.01 O ATOM 1890 CB SER B 207 12.782 -3.022 -3.650 1.00 3.85 C ATOM 1891 OG SER B 207 13.564 -1.995 -4.237 1.00 3.99 O ATOM 0 H SER B 207 14.760 -5.076 -2.714 1.00 3.47 H new ATOM 0 HA SER B 207 13.510 -2.675 -1.663 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.684 -3.853 -4.349 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.776 -2.650 -3.454 1.00 3.85 H new ATOM 0 HG SER B 207 13.141 -1.697 -5.069 1.00 3.99 H new ATOM 1897 N HIS B 208 13.121 -5.553 -1.044 1.00 4.12 N ATOM 1898 CA HIS B 208 12.374 -6.614 -0.384 1.00 4.71 C ATOM 1899 C HIS B 208 13.143 -7.099 0.833 1.00 4.82 C ATOM 1900 O HIS B 208 12.507 -7.375 1.870 1.00 5.20 O ATOM 1901 CB HIS B 208 12.132 -7.787 -1.338 1.00 5.42 C ATOM 1902 CG HIS B 208 11.074 -8.746 -0.868 1.00 6.08 C ATOM 1903 ND1 HIS B 208 10.836 -9.017 0.462 1.00 6.30 N ATOM 1904 CD2 HIS B 208 10.190 -9.499 -1.562 1.00 6.75 C ATOM 1905 CE1 HIS B 208 9.853 -9.891 0.562 1.00 6.95 C ATOM 1906 NE2 HIS B 208 9.443 -10.202 -0.652 1.00 7.22 N ATOM 1907 OXT HIS B 208 14.376 -7.195 0.741 1.00 4.71 O ATOM 0 H HIS B 208 14.134 -5.635 -0.958 1.00 4.12 H new ATOM 0 HA HIS B 208 11.408 -6.214 -0.075 1.00 4.71 H new ATOM 0 HB2 HIS B 208 11.846 -7.396 -2.314 1.00 5.42 H new ATOM 0 HB3 HIS B 208 13.067 -8.331 -1.474 1.00 5.42 H new ATOM 0 HD1 HIS B 208 11.341 -8.606 1.247 1.00 6.30 H new ATOM 0 HD2 HIS B 208 10.091 -9.539 -2.637 1.00 6.75 H new ATOM 0 HE1 HIS B 208 9.451 -10.286 1.484 1.00 6.95 H new