USER MOD reduce.3.24.130724 H: found=0, std=0, add=1228, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1226 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 HIS : no HD1:sc= -0.0884 K(o=0.2,f=-1.8) USER MOD Set 1.2: A 130 ASN : amide:sc= 0.29 K(o=0.2,f=-0.98) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.54 (180deg=0.183!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.0465 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.013 (180deg=-0.224) USER MOD Single : A 11 ASN : amide:sc= -2.64! C(o=-2.6!,f=-6.9!) USER MOD Single : A 13 GLN : amide:sc= -4.21! K(o=-4.2!,f=-0.92) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0741 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0428 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.126 USER MOD Single : A 30 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.422 K(o=0.42,f=-0.16) USER MOD Single : A 36 MET CE :methyl -157:sc= -0.142 (180deg=-0.745) USER MOD Single : A 37 ASN : amide:sc= -3.72! C(o=-3.7!,f=-2.3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-3.3!) USER MOD Single : A 55 THR OG1 : rot 24:sc= -1.96! USER MOD Single : A 58 SER OG : rot 43:sc= 0.487 USER MOD Single : A 68 THR OG1 : rot 137:sc= 0.602 USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00109) USER MOD Single : A 74 GLN : amide:sc= -0.964 K(o=-0.96,f=-1.5!) USER MOD Single : A 79 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.8!) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00601) USER MOD Single : A 82 ASN : amide:sc= 0.892 K(o=0.89,f=-2.3) USER MOD Single : A 83 ASN : amide:sc= -4.37! K(o=-4.4!,f=-0.8) USER MOD Single : A 84 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.8!) USER MOD Single : A 94 GLN : amide:sc= -3.03! C(o=-3!,f=-7.3!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot -170:sc= -2.03! USER MOD Single : A 115 SER OG : rot 75:sc= 0.744 USER MOD Single : A 119 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0.028) USER MOD Single : A 122 MET CE :methyl -135:sc= -1.54 (180deg=-3.09) USER MOD Single : A 128 SER OG : rot 102:sc= 1.07 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 1:sc= -0.182 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 144 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.63) USER MOD Single : A 149 SER OG : rot 83:sc= 1.03 USER MOD Single : A 152 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.21) USER MOD Single : A 153 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-1.6!) USER MOD Single : A 154 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.28) USER MOD Single : A 155 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 156 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=-0.049) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.640 -0.600 22.324 1.00 62.40 N ATOM 2 CA MET A 1 4.350 -0.827 21.036 1.00 25.21 C ATOM 3 C MET A 1 5.016 -2.213 21.000 1.00 42.03 C ATOM 4 O MET A 1 6.014 -2.444 21.682 1.00 22.43 O ATOM 5 CB MET A 1 5.411 0.263 20.812 1.00 31.22 C ATOM 6 CG MET A 1 4.836 1.668 20.670 1.00 73.31 C ATOM 7 SD MET A 1 3.934 2.198 22.139 1.00 4.14 S ATOM 8 CE MET A 1 3.459 3.863 21.666 1.00 2.53 C ATOM 0 H1 MET A 1 3.647 0.415 22.550 1.00 62.40 H new ATOM 0 H2 MET A 1 2.657 -0.930 22.241 1.00 62.40 H new ATOM 0 H3 MET A 1 4.119 -1.126 23.082 1.00 62.40 H new ATOM 0 HA MET A 1 3.609 -0.782 20.238 1.00 25.21 H new ATOM 0 HB2 MET A 1 6.112 0.251 21.647 1.00 31.22 H new ATOM 0 HB3 MET A 1 5.981 0.022 19.914 1.00 31.22 H new ATOM 0 HG2 MET A 1 5.646 2.370 20.472 1.00 73.31 H new ATOM 0 HG3 MET A 1 4.170 1.699 19.808 1.00 73.31 H new ATOM 0 HE1 MET A 1 2.892 4.323 22.475 1.00 2.53 H new ATOM 0 HE2 MET A 1 4.353 4.454 21.468 1.00 2.53 H new ATOM 0 HE3 MET A 1 2.843 3.824 20.768 1.00 2.53 H new ATOM 20 N ARG A 2 4.455 -3.132 20.211 1.00 61.40 N ATOM 21 CA ARG A 2 5.031 -4.478 20.056 1.00 71.13 C ATOM 22 C ARG A 2 6.291 -4.458 19.183 1.00 22.21 C ATOM 23 O ARG A 2 7.192 -5.280 19.356 1.00 41.33 O ATOM 24 CB ARG A 2 3.992 -5.443 19.455 1.00 62.20 C ATOM 25 CG ARG A 2 4.587 -6.759 18.948 1.00 64.23 C ATOM 26 CD ARG A 2 3.523 -7.696 18.386 1.00 32.23 C ATOM 27 NE ARG A 2 4.109 -8.807 17.634 1.00 12.01 N ATOM 28 CZ ARG A 2 3.438 -9.582 16.820 1.00 41.11 C ATOM 29 NH1 ARG A 2 2.166 -9.410 16.637 1.00 2.40 N ATOM 30 NH2 ARG A 2 4.050 -10.529 16.186 1.00 44.55 N ATOM 0 H ARG A 2 3.605 -2.974 19.669 1.00 61.40 H new ATOM 0 HA ARG A 2 5.314 -4.827 21.049 1.00 71.13 H new ATOM 0 HB2 ARG A 2 3.237 -5.664 20.209 1.00 62.20 H new ATOM 0 HB3 ARG A 2 3.482 -4.945 18.630 1.00 62.20 H new ATOM 0 HG2 ARG A 2 5.326 -6.547 18.176 1.00 64.23 H new ATOM 0 HG3 ARG A 2 5.112 -7.256 19.764 1.00 64.23 H new ATOM 0 HD2 ARG A 2 2.920 -8.091 19.204 1.00 32.23 H new ATOM 0 HD3 ARG A 2 2.852 -7.134 17.737 1.00 32.23 H new ATOM 0 HE ARG A 2 5.106 -8.989 17.752 1.00 12.01 H new ATOM 0 HH11 ARG A 2 1.676 -8.664 17.130 1.00 2.40 H new ATOM 0 HH12 ARG A 2 1.655 -10.021 16.000 1.00 2.40 H new ATOM 0 HH21 ARG A 2 5.051 -10.669 16.321 1.00 44.55 H new ATOM 0 HH22 ARG A 2 3.531 -11.135 15.551 1.00 44.55 H new ATOM 44 N VAL A 3 6.347 -3.495 18.274 1.00 73.11 N ATOM 45 CA VAL A 3 7.428 -3.386 17.287 1.00 41.31 C ATOM 46 C VAL A 3 7.434 -4.585 16.316 1.00 34.34 C ATOM 47 O VAL A 3 8.000 -5.643 16.605 1.00 64.02 O ATOM 48 CB VAL A 3 8.811 -3.244 17.970 1.00 62.43 C ATOM 49 CG1 VAL A 3 9.938 -3.224 16.938 1.00 42.10 C ATOM 50 CG2 VAL A 3 8.851 -1.989 18.842 1.00 12.42 C ATOM 0 H VAL A 3 5.644 -2.761 18.195 1.00 73.11 H new ATOM 0 HA VAL A 3 7.237 -2.481 16.710 1.00 41.31 H new ATOM 0 HB VAL A 3 8.962 -4.114 18.609 1.00 62.43 H new ATOM 0 HG11 VAL A 3 10.896 -3.123 17.448 1.00 42.10 H new ATOM 0 HG12 VAL A 3 9.926 -4.153 16.368 1.00 42.10 H new ATOM 0 HG13 VAL A 3 9.797 -2.381 16.261 1.00 42.10 H new ATOM 0 HG21 VAL A 3 9.830 -1.905 19.314 1.00 12.42 H new ATOM 0 HG22 VAL A 3 8.670 -1.110 18.223 1.00 12.42 H new ATOM 0 HG23 VAL A 3 8.082 -2.056 19.611 1.00 12.42 H new ATOM 60 N TYR A 4 6.781 -4.407 15.170 1.00 22.44 N ATOM 61 CA TYR A 4 6.679 -5.456 14.150 1.00 1.52 C ATOM 62 C TYR A 4 7.863 -5.425 13.176 1.00 55.01 C ATOM 63 O TYR A 4 8.274 -4.363 12.709 1.00 53.51 O ATOM 64 CB TYR A 4 5.381 -5.301 13.341 1.00 31.25 C ATOM 65 CG TYR A 4 4.124 -5.742 14.064 1.00 14.23 C ATOM 66 CD1 TYR A 4 3.653 -5.056 15.177 1.00 60.21 C ATOM 67 CD2 TYR A 4 3.400 -6.843 13.617 1.00 45.52 C ATOM 68 CE1 TYR A 4 2.504 -5.458 15.826 1.00 54.44 C ATOM 69 CE2 TYR A 4 2.249 -7.247 14.260 1.00 32.13 C ATOM 70 CZ TYR A 4 1.804 -6.551 15.363 1.00 51.55 C ATOM 71 OH TYR A 4 0.660 -6.954 16.011 1.00 52.32 O ATOM 0 H TYR A 4 6.309 -3.538 14.920 1.00 22.44 H new ATOM 0 HA TYR A 4 6.682 -6.408 14.681 1.00 1.52 H new ATOM 0 HB2 TYR A 4 5.271 -4.255 13.055 1.00 31.25 H new ATOM 0 HB3 TYR A 4 5.473 -5.875 12.419 1.00 31.25 H new ATOM 0 HD1 TYR A 4 4.195 -4.195 15.539 1.00 60.21 H new ATOM 0 HD2 TYR A 4 3.745 -7.390 12.752 1.00 45.52 H new ATOM 0 HE1 TYR A 4 2.154 -4.918 16.694 1.00 54.44 H new ATOM 0 HE2 TYR A 4 1.699 -8.104 13.901 1.00 32.13 H new ATOM 0 HH TYR A 4 0.286 -7.739 15.558 1.00 52.32 H new ATOM 81 N LYS A 5 8.404 -6.598 12.881 1.00 62.34 N ATOM 82 CA LYS A 5 9.389 -6.748 11.809 1.00 2.25 C ATOM 83 C LYS A 5 8.703 -7.319 10.560 1.00 31.34 C ATOM 84 O LYS A 5 7.637 -7.928 10.663 1.00 54.30 O ATOM 85 CB LYS A 5 10.524 -7.685 12.254 1.00 43.35 C ATOM 86 CG LYS A 5 11.082 -7.372 13.636 1.00 52.43 C ATOM 87 CD LYS A 5 11.793 -6.023 13.698 1.00 74.33 C ATOM 88 CE LYS A 5 12.113 -5.634 15.141 1.00 22.12 C ATOM 89 NZ LYS A 5 12.722 -6.760 15.899 1.00 12.42 N ATOM 0 H LYS A 5 8.179 -7.465 13.368 1.00 62.34 H new ATOM 0 HA LYS A 5 9.813 -5.771 11.577 1.00 2.25 H new ATOM 0 HB2 LYS A 5 10.158 -8.712 12.246 1.00 43.35 H new ATOM 0 HB3 LYS A 5 11.333 -7.629 11.526 1.00 43.35 H new ATOM 0 HG2 LYS A 5 10.269 -7.382 14.361 1.00 52.43 H new ATOM 0 HG3 LYS A 5 11.779 -8.158 13.928 1.00 52.43 H new ATOM 0 HD2 LYS A 5 12.714 -6.067 13.117 1.00 74.33 H new ATOM 0 HD3 LYS A 5 11.166 -5.257 13.242 1.00 74.33 H new ATOM 0 HE2 LYS A 5 12.795 -4.784 15.145 1.00 22.12 H new ATOM 0 HE3 LYS A 5 11.199 -5.312 15.641 1.00 22.12 H new ATOM 0 HZ1 LYS A 5 13.138 -6.400 16.782 1.00 12.42 H new ATOM 0 HZ2 LYS A 5 11.990 -7.464 16.123 1.00 12.42 H new ATOM 0 HZ3 LYS A 5 13.465 -7.205 15.323 1.00 12.42 H new ATOM 103 N PRO A 6 9.288 -7.143 9.361 1.00 2.41 N ATOM 104 CA PRO A 6 8.714 -7.716 8.138 1.00 73.31 C ATOM 105 C PRO A 6 8.539 -9.244 8.242 1.00 15.22 C ATOM 106 O PRO A 6 7.615 -9.813 7.669 1.00 14.44 O ATOM 107 CB PRO A 6 9.715 -7.340 7.033 1.00 12.35 C ATOM 108 CG PRO A 6 10.940 -6.843 7.733 1.00 42.21 C ATOM 109 CD PRO A 6 10.515 -6.374 9.098 1.00 71.33 C ATOM 0 HA PRO A 6 7.713 -7.332 7.942 1.00 73.31 H new ATOM 0 HB2 PRO A 6 9.947 -8.202 6.407 1.00 12.35 H new ATOM 0 HB3 PRO A 6 9.302 -6.573 6.378 1.00 12.35 H new ATOM 0 HG2 PRO A 6 11.685 -7.635 7.813 1.00 42.21 H new ATOM 0 HG3 PRO A 6 11.399 -6.029 7.173 1.00 42.21 H new ATOM 0 HD2 PRO A 6 11.281 -6.573 9.847 1.00 71.33 H new ATOM 0 HD3 PRO A 6 10.326 -5.301 9.113 1.00 71.33 H new ATOM 117 N GLU A 7 9.436 -9.896 8.985 1.00 75.03 N ATOM 118 CA GLU A 7 9.332 -11.339 9.260 1.00 73.00 C ATOM 119 C GLU A 7 8.292 -11.658 10.358 1.00 14.44 C ATOM 120 O GLU A 7 7.924 -12.818 10.553 1.00 40.21 O ATOM 121 CB GLU A 7 10.711 -11.920 9.639 1.00 72.20 C ATOM 122 CG GLU A 7 11.547 -11.030 10.566 1.00 62.35 C ATOM 123 CD GLU A 7 12.601 -10.216 9.821 1.00 64.34 C ATOM 124 OE1 GLU A 7 12.235 -9.424 8.932 1.00 31.53 O ATOM 125 OE2 GLU A 7 13.805 -10.368 10.128 1.00 43.02 O ATOM 0 H GLU A 7 10.248 -9.449 9.411 1.00 75.03 H new ATOM 0 HA GLU A 7 8.985 -11.813 8.342 1.00 73.00 H new ATOM 0 HB2 GLU A 7 10.563 -12.886 10.121 1.00 72.20 H new ATOM 0 HB3 GLU A 7 11.277 -12.103 8.725 1.00 72.20 H new ATOM 0 HG2 GLU A 7 10.885 -10.351 11.103 1.00 62.35 H new ATOM 0 HG3 GLU A 7 12.038 -11.653 11.313 1.00 62.35 H new ATOM 132 N ASP A 8 7.831 -10.634 11.083 1.00 13.41 N ATOM 133 CA ASP A 8 6.730 -10.801 12.049 1.00 30.33 C ATOM 134 C ASP A 8 5.364 -10.675 11.354 1.00 54.40 C ATOM 135 O ASP A 8 4.334 -11.089 11.897 1.00 11.41 O ATOM 136 CB ASP A 8 6.816 -9.765 13.181 1.00 23.34 C ATOM 137 CG ASP A 8 7.950 -10.027 14.155 1.00 20.13 C ATOM 138 OD1 ASP A 8 8.254 -11.207 14.421 1.00 14.12 O ATOM 139 OD2 ASP A 8 8.512 -9.052 14.694 1.00 63.42 O ATOM 0 H ASP A 8 8.198 -9.684 11.023 1.00 13.41 H new ATOM 0 HA ASP A 8 6.828 -11.800 12.475 1.00 30.33 H new ATOM 0 HB2 ASP A 8 6.942 -8.773 12.747 1.00 23.34 H new ATOM 0 HB3 ASP A 8 5.873 -9.756 13.727 1.00 23.34 H new ATOM 144 N VAL A 9 5.366 -10.090 10.161 1.00 14.32 N ATOM 145 CA VAL A 9 4.138 -9.876 9.390 1.00 73.01 C ATOM 146 C VAL A 9 3.690 -11.165 8.679 1.00 64.32 C ATOM 147 O VAL A 9 4.479 -11.798 7.976 1.00 0.31 O ATOM 148 CB VAL A 9 4.342 -8.760 8.331 1.00 63.23 C ATOM 149 CG1 VAL A 9 3.061 -8.506 7.537 1.00 31.00 C ATOM 150 CG2 VAL A 9 4.834 -7.474 8.994 1.00 52.34 C ATOM 0 H VAL A 9 6.211 -9.751 9.700 1.00 14.32 H new ATOM 0 HA VAL A 9 3.364 -9.574 10.096 1.00 73.01 H new ATOM 0 HB VAL A 9 5.104 -9.099 7.629 1.00 63.23 H new ATOM 0 HG11 VAL A 9 3.237 -7.719 6.804 1.00 31.00 H new ATOM 0 HG12 VAL A 9 2.764 -9.420 7.023 1.00 31.00 H new ATOM 0 HG13 VAL A 9 2.267 -8.197 8.217 1.00 31.00 H new ATOM 0 HG21 VAL A 9 4.971 -6.703 8.236 1.00 52.34 H new ATOM 0 HG22 VAL A 9 4.099 -7.137 9.725 1.00 52.34 H new ATOM 0 HG23 VAL A 9 5.783 -7.663 9.495 1.00 52.34 H new ATOM 160 N PRO A 10 2.415 -11.580 8.853 1.00 32.34 N ATOM 161 CA PRO A 10 1.865 -12.748 8.147 1.00 43.51 C ATOM 162 C PRO A 10 1.998 -12.611 6.622 1.00 2.23 C ATOM 163 O PRO A 10 1.317 -11.797 5.994 1.00 71.43 O ATOM 164 CB PRO A 10 0.383 -12.778 8.575 1.00 74.53 C ATOM 165 CG PRO A 10 0.116 -11.424 9.146 1.00 54.24 C ATOM 166 CD PRO A 10 1.418 -10.964 9.741 1.00 4.42 C ATOM 0 HA PRO A 10 2.397 -13.666 8.397 1.00 43.51 H new ATOM 0 HB2 PRO A 10 -0.269 -12.983 7.726 1.00 74.53 H new ATOM 0 HB3 PRO A 10 0.201 -13.560 9.312 1.00 74.53 H new ATOM 0 HG2 PRO A 10 -0.226 -10.735 8.374 1.00 54.24 H new ATOM 0 HG3 PRO A 10 -0.666 -11.467 9.904 1.00 54.24 H new ATOM 0 HD2 PRO A 10 1.498 -9.877 9.748 1.00 4.42 H new ATOM 0 HD3 PRO A 10 1.533 -11.298 10.772 1.00 4.42 H new ATOM 174 N ASN A 11 2.899 -13.395 6.038 1.00 43.24 N ATOM 175 CA ASN A 11 3.179 -13.327 4.604 1.00 61.30 C ATOM 176 C ASN A 11 1.978 -13.786 3.755 1.00 3.24 C ATOM 177 O ASN A 11 1.909 -14.929 3.291 1.00 14.45 O ATOM 178 CB ASN A 11 4.454 -14.123 4.271 1.00 41.22 C ATOM 179 CG ASN A 11 4.443 -15.548 4.806 1.00 74.42 C ATOM 180 OD1 ASN A 11 3.697 -15.886 5.719 1.00 50.24 O ATOM 181 ND2 ASN A 11 5.307 -16.382 4.272 1.00 54.51 N ATOM 0 H ASN A 11 3.452 -14.090 6.539 1.00 43.24 H new ATOM 0 HA ASN A 11 3.352 -12.282 4.346 1.00 61.30 H new ATOM 0 HB2 ASN A 11 4.582 -14.152 3.189 1.00 41.22 H new ATOM 0 HB3 ASN A 11 5.317 -13.597 4.680 1.00 41.22 H new ATOM 0 HD21 ASN A 11 5.370 -17.340 4.616 1.00 54.51 H new ATOM 0 HD22 ASN A 11 5.914 -16.071 3.514 1.00 54.51 H new ATOM 188 N VAL A 12 1.034 -12.864 3.549 1.00 4.31 N ATOM 189 CA VAL A 12 -0.206 -13.150 2.812 1.00 62.13 C ATOM 190 C VAL A 12 0.028 -13.384 1.310 1.00 14.04 C ATOM 191 O VAL A 12 -0.920 -13.595 0.553 1.00 35.01 O ATOM 192 CB VAL A 12 -1.244 -12.014 2.988 1.00 61.23 C ATOM 193 CG1 VAL A 12 -1.630 -11.858 4.459 1.00 40.23 C ATOM 194 CG2 VAL A 12 -0.714 -10.699 2.412 1.00 64.11 C ATOM 0 H VAL A 12 1.104 -11.903 3.885 1.00 4.31 H new ATOM 0 HA VAL A 12 -0.593 -14.073 3.243 1.00 62.13 H new ATOM 0 HB VAL A 12 -2.143 -12.282 2.433 1.00 61.23 H new ATOM 0 HG11 VAL A 12 -2.360 -11.055 4.560 1.00 40.23 H new ATOM 0 HG12 VAL A 12 -2.063 -12.790 4.822 1.00 40.23 H new ATOM 0 HG13 VAL A 12 -0.743 -11.618 5.045 1.00 40.23 H new ATOM 0 HG21 VAL A 12 -1.460 -9.916 2.547 1.00 64.11 H new ATOM 0 HG22 VAL A 12 0.204 -10.419 2.929 1.00 64.11 H new ATOM 0 HG23 VAL A 12 -0.508 -10.824 1.349 1.00 64.11 H new ATOM 204 N GLN A 13 1.285 -13.325 0.880 1.00 3.10 N ATOM 205 CA GLN A 13 1.653 -13.650 -0.503 1.00 25.13 C ATOM 206 C GLN A 13 2.236 -15.067 -0.607 1.00 22.41 C ATOM 207 O GLN A 13 2.757 -15.459 -1.649 1.00 3.22 O ATOM 208 CB GLN A 13 2.655 -12.617 -1.040 1.00 75.55 C ATOM 209 CG GLN A 13 2.052 -11.231 -1.236 1.00 61.11 C ATOM 210 CD GLN A 13 0.926 -11.226 -2.256 1.00 10.02 C ATOM 211 OE1 GLN A 13 1.145 -11.021 -3.442 1.00 2.11 O ATOM 212 NE2 GLN A 13 -0.289 -11.474 -1.807 1.00 12.14 N ATOM 0 H GLN A 13 2.072 -13.054 1.469 1.00 3.10 H new ATOM 0 HA GLN A 13 0.749 -13.617 -1.111 1.00 25.13 H new ATOM 0 HB2 GLN A 13 3.495 -12.545 -0.350 1.00 75.55 H new ATOM 0 HB3 GLN A 13 3.053 -12.969 -1.991 1.00 75.55 H new ATOM 0 HG2 GLN A 13 1.675 -10.864 -0.281 1.00 61.11 H new ATOM 0 HG3 GLN A 13 2.832 -10.541 -1.557 1.00 61.11 H new ATOM 0 HE21 GLN A 13 -0.441 -11.641 -0.812 1.00 12.14 H new ATOM 0 HE22 GLN A 13 -1.077 -11.499 -2.454 1.00 12.14 H new ATOM 221 N LEU A 14 2.129 -15.834 0.478 1.00 33.13 N ATOM 222 CA LEU A 14 2.645 -17.209 0.510 1.00 72.34 C ATOM 223 C LEU A 14 1.541 -18.214 0.895 1.00 30.00 C ATOM 224 O LEU A 14 1.403 -19.267 0.268 1.00 74.12 O ATOM 225 CB LEU A 14 3.839 -17.287 1.483 1.00 23.53 C ATOM 226 CG LEU A 14 4.606 -18.631 1.523 1.00 33.22 C ATOM 227 CD1 LEU A 14 6.049 -18.414 1.972 1.00 63.35 C ATOM 228 CD2 LEU A 14 3.919 -19.633 2.452 1.00 44.31 C ATOM 0 H LEU A 14 1.691 -15.530 1.347 1.00 33.13 H new ATOM 0 HA LEU A 14 2.986 -17.481 -0.489 1.00 72.34 H new ATOM 0 HB2 LEU A 14 4.545 -16.498 1.222 1.00 23.53 H new ATOM 0 HB3 LEU A 14 3.476 -17.070 2.488 1.00 23.53 H new ATOM 0 HG LEU A 14 4.605 -19.041 0.513 1.00 33.22 H new ATOM 0 HD11 LEU A 14 6.571 -19.371 1.994 1.00 63.35 H new ATOM 0 HD12 LEU A 14 6.550 -17.743 1.275 1.00 63.35 H new ATOM 0 HD13 LEU A 14 6.057 -17.973 2.969 1.00 63.35 H new ATOM 0 HD21 LEU A 14 4.481 -20.567 2.459 1.00 44.31 H new ATOM 0 HD22 LEU A 14 3.880 -19.225 3.462 1.00 44.31 H new ATOM 0 HD23 LEU A 14 2.906 -19.822 2.098 1.00 44.31 H new ATOM 240 N ALA A 15 0.765 -17.899 1.931 1.00 45.32 N ATOM 241 CA ALA A 15 -0.324 -18.782 2.373 1.00 22.31 C ATOM 242 C ALA A 15 -1.585 -18.607 1.506 1.00 61.04 C ATOM 243 O ALA A 15 -1.967 -19.512 0.759 1.00 22.14 O ATOM 244 CB ALA A 15 -0.638 -18.539 3.844 1.00 14.42 C ATOM 0 H ALA A 15 0.865 -17.045 2.480 1.00 45.32 H new ATOM 0 HA ALA A 15 0.011 -19.812 2.253 1.00 22.31 H new ATOM 0 HB1 ALA A 15 -1.446 -19.200 4.157 1.00 14.42 H new ATOM 0 HB2 ALA A 15 0.249 -18.741 4.444 1.00 14.42 H new ATOM 0 HB3 ALA A 15 -0.942 -17.502 3.985 1.00 14.42 H new ATOM 250 N ASP A 16 -2.233 -17.446 1.610 1.00 11.13 N ATOM 251 CA ASP A 16 -3.422 -17.151 0.800 1.00 53.42 C ATOM 252 C ASP A 16 -3.051 -16.710 -0.626 1.00 34.31 C ATOM 253 O ASP A 16 -3.427 -17.358 -1.603 1.00 71.43 O ATOM 254 CB ASP A 16 -4.275 -16.064 1.464 1.00 65.32 C ATOM 255 CG ASP A 16 -4.893 -16.524 2.772 1.00 73.01 C ATOM 256 OD1 ASP A 16 -5.801 -17.381 2.735 1.00 2.24 O ATOM 257 OD2 ASP A 16 -4.496 -16.016 3.837 1.00 22.01 O ATOM 0 H ASP A 16 -1.958 -16.695 2.244 1.00 11.13 H new ATOM 0 HA ASP A 16 -3.997 -18.075 0.733 1.00 53.42 H new ATOM 0 HB2 ASP A 16 -3.658 -15.185 1.648 1.00 65.32 H new ATOM 0 HB3 ASP A 16 -5.067 -15.760 0.779 1.00 65.32 H new ATOM 262 N SER A 17 -2.329 -15.589 -0.734 1.00 20.53 N ATOM 263 CA SER A 17 -2.002 -14.973 -2.038 1.00 42.25 C ATOM 264 C SER A 17 -3.266 -14.512 -2.786 1.00 0.55 C ATOM 265 O SER A 17 -3.194 -14.077 -3.932 1.00 62.34 O ATOM 266 CB SER A 17 -1.192 -15.937 -2.927 1.00 4.03 C ATOM 267 OG SER A 17 0.068 -16.246 -2.346 1.00 45.01 O ATOM 0 H SER A 17 -1.955 -15.082 0.068 1.00 20.53 H new ATOM 0 HA SER A 17 -1.391 -14.096 -1.824 1.00 42.25 H new ATOM 0 HB2 SER A 17 -1.759 -16.856 -3.080 1.00 4.03 H new ATOM 0 HB3 SER A 17 -1.041 -15.488 -3.909 1.00 4.03 H new ATOM 0 HG SER A 17 0.557 -16.860 -2.933 1.00 45.01 H new ATOM 273 N THR A 18 -4.417 -14.590 -2.121 1.00 1.13 N ATOM 274 CA THR A 18 -5.710 -14.230 -2.729 1.00 21.31 C ATOM 275 C THR A 18 -6.160 -12.819 -2.335 1.00 64.13 C ATOM 276 O THR A 18 -6.643 -12.054 -3.167 1.00 21.12 O ATOM 277 CB THR A 18 -6.813 -15.221 -2.297 1.00 31.40 C ATOM 278 OG1 THR A 18 -6.928 -15.218 -0.864 1.00 11.34 O ATOM 279 CG2 THR A 18 -6.503 -16.634 -2.783 1.00 32.44 C ATOM 0 H THR A 18 -4.487 -14.901 -1.152 1.00 1.13 H new ATOM 0 HA THR A 18 -5.562 -14.269 -3.808 1.00 21.31 H new ATOM 0 HB THR A 18 -7.755 -14.904 -2.745 1.00 31.40 H new ATOM 0 HG1 THR A 18 -7.629 -15.846 -0.591 1.00 11.34 H new ATOM 0 HG21 THR A 18 -7.296 -17.310 -2.465 1.00 32.44 H new ATOM 0 HG22 THR A 18 -6.437 -16.638 -3.871 1.00 32.44 H new ATOM 0 HG23 THR A 18 -5.554 -16.964 -2.361 1.00 32.44 H new ATOM 287 N ARG A 19 -6.013 -12.488 -1.053 1.00 23.34 N ATOM 288 CA ARG A 19 -6.452 -11.188 -0.530 1.00 24.12 C ATOM 289 C ARG A 19 -5.416 -10.070 -0.775 1.00 45.14 C ATOM 290 O ARG A 19 -5.783 -8.922 -1.018 1.00 71.04 O ATOM 291 CB ARG A 19 -6.764 -11.319 0.970 1.00 24.30 C ATOM 292 CG ARG A 19 -5.558 -11.663 1.847 1.00 10.10 C ATOM 293 CD ARG A 19 -5.983 -12.033 3.269 1.00 63.14 C ATOM 294 NE ARG A 19 -6.842 -11.014 3.870 1.00 74.44 N ATOM 295 CZ ARG A 19 -7.703 -11.246 4.825 1.00 11.53 C ATOM 296 NH1 ARG A 19 -7.839 -12.433 5.324 1.00 13.43 N ATOM 297 NH2 ARG A 19 -8.431 -10.282 5.277 1.00 23.54 N ATOM 0 H ARG A 19 -5.593 -13.101 -0.354 1.00 23.34 H new ATOM 0 HA ARG A 19 -7.353 -10.899 -1.071 1.00 24.12 H new ATOM 0 HB2 ARG A 19 -7.195 -10.381 1.321 1.00 24.30 H new ATOM 0 HB3 ARG A 19 -7.524 -12.089 1.103 1.00 24.30 H new ATOM 0 HG2 ARG A 19 -5.010 -12.494 1.403 1.00 10.10 H new ATOM 0 HG3 ARG A 19 -4.877 -10.813 1.880 1.00 10.10 H new ATOM 0 HD2 ARG A 19 -6.510 -12.987 3.252 1.00 63.14 H new ATOM 0 HD3 ARG A 19 -5.096 -12.170 3.888 1.00 63.14 H new ATOM 0 HE ARG A 19 -6.764 -10.059 3.521 1.00 74.44 H new ATOM 0 HH11 ARG A 19 -7.270 -13.203 4.972 1.00 13.43 H new ATOM 0 HH12 ARG A 19 -8.515 -12.598 6.069 1.00 13.43 H new ATOM 0 HH21 ARG A 19 -8.333 -9.344 4.889 1.00 23.54 H new ATOM 0 HH22 ARG A 19 -9.105 -10.458 6.022 1.00 23.54 H new ATOM 311 N LEU A 20 -4.126 -10.417 -0.692 1.00 52.03 N ATOM 312 CA LEU A 20 -3.017 -9.450 -0.879 1.00 4.34 C ATOM 313 C LEU A 20 -3.009 -8.336 0.192 1.00 21.35 C ATOM 314 O LEU A 20 -2.182 -7.426 0.147 1.00 52.33 O ATOM 315 CB LEU A 20 -3.039 -8.829 -2.291 1.00 62.11 C ATOM 316 CG LEU A 20 -2.663 -9.782 -3.444 1.00 22.24 C ATOM 317 CD1 LEU A 20 -3.806 -10.729 -3.785 1.00 71.55 C ATOM 318 CD2 LEU A 20 -2.231 -9.002 -4.678 1.00 32.24 C ATOM 0 H LEU A 20 -3.814 -11.368 -0.495 1.00 52.03 H new ATOM 0 HA LEU A 20 -2.097 -10.023 -0.762 1.00 4.34 H new ATOM 0 HB2 LEU A 20 -4.038 -8.435 -2.480 1.00 62.11 H new ATOM 0 HB3 LEU A 20 -2.354 -7.981 -2.306 1.00 62.11 H new ATOM 0 HG LEU A 20 -1.821 -10.385 -3.104 1.00 22.24 H new ATOM 0 HD11 LEU A 20 -3.504 -11.385 -4.602 1.00 71.55 H new ATOM 0 HD12 LEU A 20 -4.054 -11.330 -2.910 1.00 71.55 H new ATOM 0 HD13 LEU A 20 -4.679 -10.151 -4.088 1.00 71.55 H new ATOM 0 HD21 LEU A 20 -1.971 -9.698 -5.476 1.00 32.24 H new ATOM 0 HD22 LEU A 20 -3.048 -8.361 -5.008 1.00 32.24 H new ATOM 0 HD23 LEU A 20 -1.363 -8.388 -4.435 1.00 32.24 H new ATOM 330 N VAL A 21 -3.915 -8.424 1.161 1.00 43.42 N ATOM 331 CA VAL A 21 -4.021 -7.433 2.239 1.00 54.43 C ATOM 332 C VAL A 21 -3.541 -8.018 3.582 1.00 13.24 C ATOM 333 O VAL A 21 -3.561 -9.234 3.781 1.00 41.31 O ATOM 334 CB VAL A 21 -5.488 -6.941 2.379 1.00 22.35 C ATOM 335 CG1 VAL A 21 -5.638 -5.942 3.528 1.00 0.13 C ATOM 336 CG2 VAL A 21 -5.974 -6.328 1.065 1.00 51.41 C ATOM 0 H VAL A 21 -4.597 -9.180 1.226 1.00 43.42 H new ATOM 0 HA VAL A 21 -3.380 -6.590 1.980 1.00 54.43 H new ATOM 0 HB VAL A 21 -6.108 -7.806 2.612 1.00 22.35 H new ATOM 0 HG11 VAL A 21 -6.677 -5.619 3.596 1.00 0.13 H new ATOM 0 HG12 VAL A 21 -5.343 -6.417 4.464 1.00 0.13 H new ATOM 0 HG13 VAL A 21 -5.001 -5.077 3.344 1.00 0.13 H new ATOM 0 HG21 VAL A 21 -7.003 -5.989 1.181 1.00 51.41 H new ATOM 0 HG22 VAL A 21 -5.340 -5.481 0.802 1.00 51.41 H new ATOM 0 HG23 VAL A 21 -5.926 -7.077 0.274 1.00 51.41 H new ATOM 346 N THR A 22 -3.087 -7.148 4.486 1.00 75.25 N ATOM 347 CA THR A 22 -2.654 -7.560 5.833 1.00 11.32 C ATOM 348 C THR A 22 -3.059 -6.516 6.886 1.00 43.40 C ATOM 349 O THR A 22 -2.491 -5.421 6.939 1.00 33.24 O ATOM 350 CB THR A 22 -1.119 -7.768 5.890 1.00 52.12 C ATOM 351 OG1 THR A 22 -0.720 -8.757 4.933 1.00 42.35 O ATOM 352 CG2 THR A 22 -0.663 -8.197 7.283 1.00 12.52 C ATOM 0 H THR A 22 -3.007 -6.146 4.313 1.00 75.25 H new ATOM 0 HA THR A 22 -3.150 -8.505 6.053 1.00 11.32 H new ATOM 0 HB THR A 22 -0.648 -6.814 5.654 1.00 52.12 H new ATOM 0 HG1 THR A 22 0.160 -9.112 5.177 1.00 42.35 H new ATOM 0 HG21 THR A 22 0.418 -8.334 7.286 1.00 12.52 H new ATOM 0 HG22 THR A 22 -0.934 -7.429 8.007 1.00 12.52 H new ATOM 0 HG23 THR A 22 -1.148 -9.136 7.552 1.00 12.52 H new ATOM 360 N ASP A 23 -4.038 -6.848 7.727 1.00 21.44 N ATOM 361 CA ASP A 23 -4.543 -5.905 8.732 1.00 33.33 C ATOM 362 C ASP A 23 -4.111 -6.279 10.168 1.00 72.14 C ATOM 363 O ASP A 23 -4.907 -6.761 10.975 1.00 61.14 O ATOM 364 CB ASP A 23 -6.076 -5.768 8.618 1.00 34.45 C ATOM 365 CG ASP A 23 -6.830 -7.080 8.795 1.00 32.11 C ATOM 366 OD1 ASP A 23 -6.355 -8.126 8.304 1.00 15.34 O ATOM 367 OD2 ASP A 23 -7.917 -7.065 9.409 1.00 34.21 O ATOM 0 H ASP A 23 -4.498 -7.759 7.735 1.00 21.44 H new ATOM 0 HA ASP A 23 -4.092 -4.935 8.524 1.00 33.33 H new ATOM 0 HB2 ASP A 23 -6.424 -5.057 9.367 1.00 34.45 H new ATOM 0 HB3 ASP A 23 -6.322 -5.348 7.642 1.00 34.45 H new ATOM 372 N GLU A 24 -2.831 -6.053 10.475 1.00 62.04 N ATOM 373 CA GLU A 24 -2.309 -6.244 11.839 1.00 54.51 C ATOM 374 C GLU A 24 -2.675 -5.046 12.726 1.00 71.13 C ATOM 375 O GLU A 24 -2.972 -5.195 13.909 1.00 33.15 O ATOM 376 CB GLU A 24 -0.782 -6.424 11.810 1.00 43.21 C ATOM 377 CG GLU A 24 -0.315 -7.650 11.033 1.00 64.34 C ATOM 378 CD GLU A 24 -0.793 -8.958 11.648 1.00 30.41 C ATOM 379 OE1 GLU A 24 -0.099 -9.493 12.538 1.00 2.24 O ATOM 380 OE2 GLU A 24 -1.863 -9.459 11.242 1.00 10.12 O ATOM 0 H GLU A 24 -2.134 -5.738 9.801 1.00 62.04 H new ATOM 0 HA GLU A 24 -2.763 -7.143 12.255 1.00 54.51 H new ATOM 0 HB2 GLU A 24 -0.330 -5.535 11.371 1.00 43.21 H new ATOM 0 HB3 GLU A 24 -0.416 -6.495 12.834 1.00 43.21 H new ATOM 0 HG2 GLU A 24 -0.677 -7.583 10.007 1.00 64.34 H new ATOM 0 HG3 GLU A 24 0.774 -7.652 10.988 1.00 64.34 H new ATOM 387 N ALA A 25 -2.625 -3.851 12.140 1.00 12.04 N ATOM 388 CA ALA A 25 -3.067 -2.629 12.822 1.00 20.03 C ATOM 389 C ALA A 25 -4.581 -2.631 13.108 1.00 54.05 C ATOM 390 O ALA A 25 -5.051 -1.920 13.997 1.00 40.21 O ATOM 391 CB ALA A 25 -2.697 -1.407 11.987 1.00 54.30 C ATOM 0 H ALA A 25 -2.282 -3.700 11.191 1.00 12.04 H new ATOM 0 HA ALA A 25 -2.556 -2.591 13.784 1.00 20.03 H new ATOM 0 HB1 ALA A 25 -3.028 -0.503 12.499 1.00 54.30 H new ATOM 0 HB2 ALA A 25 -1.616 -1.372 11.852 1.00 54.30 H new ATOM 0 HB3 ALA A 25 -3.183 -1.471 11.013 1.00 54.30 H new ATOM 397 N GLY A 26 -5.335 -3.430 12.352 1.00 33.11 N ATOM 398 CA GLY A 26 -6.792 -3.463 12.503 1.00 0.42 C ATOM 399 C GLY A 26 -7.476 -2.179 12.030 1.00 23.23 C ATOM 400 O GLY A 26 -8.623 -1.905 12.385 1.00 41.42 O ATOM 0 H GLY A 26 -4.967 -4.057 11.636 1.00 33.11 H new ATOM 0 HA2 GLY A 26 -7.190 -4.308 11.940 1.00 0.42 H new ATOM 0 HA3 GLY A 26 -7.038 -3.633 13.551 1.00 0.42 H new ATOM 404 N LEU A 27 -6.773 -1.398 11.210 1.00 33.22 N ATOM 405 CA LEU A 27 -7.285 -0.112 10.719 1.00 22.41 C ATOM 406 C LEU A 27 -8.147 -0.278 9.452 1.00 64.41 C ATOM 407 O LEU A 27 -8.652 0.701 8.903 1.00 41.03 O ATOM 408 CB LEU A 27 -6.109 0.835 10.441 1.00 12.13 C ATOM 409 CG LEU A 27 -5.219 1.144 11.660 1.00 64.32 C ATOM 410 CD1 LEU A 27 -4.008 1.979 11.250 1.00 54.23 C ATOM 411 CD2 LEU A 27 -6.023 1.852 12.751 1.00 64.31 C ATOM 0 H LEU A 27 -5.841 -1.633 10.868 1.00 33.22 H new ATOM 0 HA LEU A 27 -7.927 0.311 11.492 1.00 22.41 H new ATOM 0 HB2 LEU A 27 -5.488 0.399 9.658 1.00 12.13 H new ATOM 0 HB3 LEU A 27 -6.502 1.773 10.050 1.00 12.13 H new ATOM 0 HG LEU A 27 -4.856 0.199 12.064 1.00 64.32 H new ATOM 0 HD11 LEU A 27 -3.394 2.185 12.127 1.00 54.23 H new ATOM 0 HD12 LEU A 27 -3.419 1.430 10.516 1.00 54.23 H new ATOM 0 HD13 LEU A 27 -4.345 2.920 10.814 1.00 54.23 H new ATOM 0 HD21 LEU A 27 -5.375 2.061 13.603 1.00 64.31 H new ATOM 0 HD22 LEU A 27 -6.421 2.788 12.360 1.00 64.31 H new ATOM 0 HD23 LEU A 27 -6.846 1.212 13.069 1.00 64.31 H new ATOM 423 N LEU A 28 -8.306 -1.520 8.994 1.00 25.15 N ATOM 424 CA LEU A 28 -9.131 -1.821 7.815 1.00 41.22 C ATOM 425 C LEU A 28 -10.414 -2.564 8.215 1.00 52.11 C ATOM 426 O LEU A 28 -10.385 -3.758 8.523 1.00 54.01 O ATOM 427 CB LEU A 28 -8.330 -2.654 6.798 1.00 74.02 C ATOM 428 CG LEU A 28 -7.154 -1.920 6.132 1.00 31.12 C ATOM 429 CD1 LEU A 28 -6.368 -2.857 5.220 1.00 43.11 C ATOM 430 CD2 LEU A 28 -7.651 -0.705 5.352 1.00 23.40 C ATOM 0 H LEU A 28 -7.874 -2.339 9.421 1.00 25.15 H new ATOM 0 HA LEU A 28 -9.414 -0.876 7.352 1.00 41.22 H new ATOM 0 HB2 LEU A 28 -7.946 -3.541 7.301 1.00 74.02 H new ATOM 0 HB3 LEU A 28 -9.010 -2.999 6.019 1.00 74.02 H new ATOM 0 HG LEU A 28 -6.484 -1.575 6.919 1.00 31.12 H new ATOM 0 HD11 LEU A 28 -5.543 -2.312 4.762 1.00 43.11 H new ATOM 0 HD12 LEU A 28 -5.974 -3.688 5.805 1.00 43.11 H new ATOM 0 HD13 LEU A 28 -7.025 -3.242 4.440 1.00 43.11 H new ATOM 0 HD21 LEU A 28 -6.804 -0.199 4.888 1.00 23.40 H new ATOM 0 HD22 LEU A 28 -8.348 -1.029 4.579 1.00 23.40 H new ATOM 0 HD23 LEU A 28 -8.156 -0.018 6.031 1.00 23.40 H new ATOM 442 N SER A 29 -11.537 -1.844 8.225 1.00 41.20 N ATOM 443 CA SER A 29 -12.837 -2.441 8.568 1.00 25.13 C ATOM 444 C SER A 29 -13.323 -3.395 7.468 1.00 64.24 C ATOM 445 O SER A 29 -12.813 -3.372 6.350 1.00 33.24 O ATOM 446 CB SER A 29 -13.890 -1.350 8.814 1.00 4.44 C ATOM 447 OG SER A 29 -15.133 -1.915 9.204 1.00 3.10 O ATOM 0 H SER A 29 -11.577 -0.850 8.001 1.00 41.20 H new ATOM 0 HA SER A 29 -12.700 -3.015 9.484 1.00 25.13 H new ATOM 0 HB2 SER A 29 -13.538 -0.669 9.589 1.00 4.44 H new ATOM 0 HB3 SER A 29 -14.024 -0.759 7.908 1.00 4.44 H new ATOM 0 HG SER A 29 -15.785 -1.199 9.356 1.00 3.10 H new ATOM 453 N ASN A 30 -14.332 -4.206 7.791 1.00 31.22 N ATOM 454 CA ASN A 30 -14.806 -5.282 6.903 1.00 1.13 C ATOM 455 C ASN A 30 -14.997 -4.831 5.442 1.00 34.53 C ATOM 456 O ASN A 30 -14.386 -5.395 4.534 1.00 74.10 O ATOM 457 CB ASN A 30 -16.117 -5.863 7.448 1.00 43.15 C ATOM 458 CG ASN A 30 -16.713 -6.914 6.529 1.00 71.14 C ATOM 459 OD1 ASN A 30 -16.356 -8.085 6.588 1.00 1.12 O ATOM 460 ND2 ASN A 30 -17.633 -6.508 5.679 1.00 44.42 N ATOM 0 H ASN A 30 -14.845 -4.140 8.670 1.00 31.22 H new ATOM 0 HA ASN A 30 -14.028 -6.045 6.891 1.00 1.13 H new ATOM 0 HB2 ASN A 30 -15.936 -6.303 8.429 1.00 43.15 H new ATOM 0 HB3 ASN A 30 -16.837 -5.057 7.588 1.00 43.15 H new ATOM 0 HD21 ASN A 30 -18.071 -7.176 5.044 1.00 44.42 H new ATOM 0 HD22 ASN A 30 -17.908 -5.526 5.655 1.00 44.42 H new ATOM 467 N ALA A 31 -15.832 -3.818 5.215 1.00 2.34 N ATOM 468 CA ALA A 31 -16.144 -3.383 3.845 1.00 1.34 C ATOM 469 C ALA A 31 -14.929 -2.745 3.152 1.00 74.53 C ATOM 470 O ALA A 31 -14.654 -3.021 1.984 1.00 20.23 O ATOM 471 CB ALA A 31 -17.329 -2.425 3.835 1.00 20.14 C ATOM 0 H ALA A 31 -16.302 -3.286 5.948 1.00 2.34 H new ATOM 0 HA ALA A 31 -16.412 -4.275 3.279 1.00 1.34 H new ATOM 0 HB1 ALA A 31 -17.540 -2.118 2.811 1.00 20.14 H new ATOM 0 HB2 ALA A 31 -18.204 -2.924 4.252 1.00 20.14 H new ATOM 0 HB3 ALA A 31 -17.092 -1.547 4.436 1.00 20.14 H new ATOM 477 N GLN A 32 -14.194 -1.901 3.870 1.00 61.22 N ATOM 478 CA GLN A 32 -12.991 -1.269 3.311 1.00 4.41 C ATOM 479 C GLN A 32 -11.931 -2.325 2.942 1.00 11.33 C ATOM 480 O GLN A 32 -11.193 -2.177 1.964 1.00 40.34 O ATOM 481 CB GLN A 32 -12.416 -0.250 4.308 1.00 23.12 C ATOM 482 CG GLN A 32 -13.406 0.846 4.699 1.00 74.32 C ATOM 483 CD GLN A 32 -13.923 1.630 3.502 1.00 35.24 C ATOM 484 OE1 GLN A 32 -14.910 1.255 2.877 1.00 2.14 O ATOM 485 NE2 GLN A 32 -13.277 2.734 3.182 1.00 72.41 N ATOM 0 H GLN A 32 -14.403 -1.637 4.833 1.00 61.22 H new ATOM 0 HA GLN A 32 -13.272 -0.745 2.397 1.00 4.41 H new ATOM 0 HB2 GLN A 32 -12.094 -0.775 5.207 1.00 23.12 H new ATOM 0 HB3 GLN A 32 -11.529 0.211 3.873 1.00 23.12 H new ATOM 0 HG2 GLN A 32 -14.249 0.397 5.225 1.00 74.32 H new ATOM 0 HG3 GLN A 32 -12.925 1.532 5.396 1.00 74.32 H new ATOM 0 HE21 GLN A 32 -12.459 3.021 3.720 1.00 72.41 H new ATOM 0 HE22 GLN A 32 -13.595 3.301 2.396 1.00 72.41 H new ATOM 494 N GLU A 33 -11.890 -3.397 3.725 1.00 45.31 N ATOM 495 CA GLU A 33 -10.950 -4.501 3.510 1.00 55.10 C ATOM 496 C GLU A 33 -11.375 -5.364 2.300 1.00 73.01 C ATOM 497 O GLU A 33 -10.592 -5.569 1.366 1.00 21.51 O ATOM 498 CB GLU A 33 -10.872 -5.338 4.803 1.00 74.24 C ATOM 499 CG GLU A 33 -9.680 -6.296 4.904 1.00 5.43 C ATOM 500 CD GLU A 33 -9.910 -7.646 4.239 1.00 40.41 C ATOM 501 OE1 GLU A 33 -11.022 -8.208 4.384 1.00 31.25 O ATOM 502 OE2 GLU A 33 -8.969 -8.173 3.612 1.00 50.21 O ATOM 0 H GLU A 33 -12.505 -3.529 4.528 1.00 45.31 H new ATOM 0 HA GLU A 33 -9.962 -4.104 3.279 1.00 55.10 H new ATOM 0 HB2 GLU A 33 -10.840 -4.657 5.653 1.00 74.24 H new ATOM 0 HB3 GLU A 33 -11.790 -5.919 4.894 1.00 74.24 H new ATOM 0 HG2 GLU A 33 -8.808 -5.824 4.451 1.00 5.43 H new ATOM 0 HG3 GLU A 33 -9.445 -6.457 5.956 1.00 5.43 H new ATOM 509 N GLU A 34 -12.628 -5.833 2.304 1.00 40.32 N ATOM 510 CA GLU A 34 -13.147 -6.692 1.221 1.00 44.15 C ATOM 511 C GLU A 34 -13.089 -5.994 -0.152 1.00 40.23 C ATOM 512 O GLU A 34 -12.694 -6.603 -1.152 1.00 51.12 O ATOM 513 CB GLU A 34 -14.591 -7.143 1.523 1.00 22.20 C ATOM 514 CG GLU A 34 -15.608 -6.011 1.608 1.00 53.13 C ATOM 515 CD GLU A 34 -17.033 -6.510 1.802 1.00 52.54 C ATOM 516 OE1 GLU A 34 -17.372 -6.941 2.922 1.00 45.12 O ATOM 517 OE2 GLU A 34 -17.824 -6.476 0.832 1.00 24.11 O ATOM 0 H GLU A 34 -13.304 -5.635 3.042 1.00 40.32 H new ATOM 0 HA GLU A 34 -12.501 -7.569 1.176 1.00 44.15 H new ATOM 0 HB2 GLU A 34 -14.909 -7.841 0.748 1.00 22.20 H new ATOM 0 HB3 GLU A 34 -14.597 -7.690 2.466 1.00 22.20 H new ATOM 0 HG2 GLU A 34 -15.343 -5.352 2.435 1.00 53.13 H new ATOM 0 HG3 GLU A 34 -15.558 -5.415 0.697 1.00 53.13 H new ATOM 524 N VAL A 35 -13.479 -4.718 -0.200 1.00 11.53 N ATOM 525 CA VAL A 35 -13.423 -3.943 -1.445 1.00 50.03 C ATOM 526 C VAL A 35 -11.967 -3.739 -1.900 1.00 21.15 C ATOM 527 O VAL A 35 -11.671 -3.709 -3.097 1.00 71.14 O ATOM 528 CB VAL A 35 -14.125 -2.568 -1.288 1.00 41.43 C ATOM 529 CG1 VAL A 35 -14.040 -1.751 -2.579 1.00 52.43 C ATOM 530 CG2 VAL A 35 -15.585 -2.755 -0.868 1.00 4.52 C ATOM 0 H VAL A 35 -13.835 -4.200 0.603 1.00 11.53 H new ATOM 0 HA VAL A 35 -13.954 -4.514 -2.207 1.00 50.03 H new ATOM 0 HB VAL A 35 -13.605 -2.015 -0.506 1.00 41.43 H new ATOM 0 HG11 VAL A 35 -14.541 -0.793 -2.437 1.00 52.43 H new ATOM 0 HG12 VAL A 35 -12.994 -1.579 -2.833 1.00 52.43 H new ATOM 0 HG13 VAL A 35 -14.525 -2.298 -3.388 1.00 52.43 H new ATOM 0 HG21 VAL A 35 -16.061 -1.780 -0.763 1.00 4.52 H new ATOM 0 HG22 VAL A 35 -16.110 -3.335 -1.626 1.00 4.52 H new ATOM 0 HG23 VAL A 35 -15.625 -3.283 0.085 1.00 4.52 H new ATOM 540 N MET A 36 -11.049 -3.610 -0.940 1.00 1.22 N ATOM 541 CA MET A 36 -9.624 -3.506 -1.258 1.00 0.33 C ATOM 542 C MET A 36 -9.113 -4.811 -1.892 1.00 63.24 C ATOM 543 O MET A 36 -8.351 -4.778 -2.857 1.00 22.51 O ATOM 544 CB MET A 36 -8.814 -3.156 0.000 1.00 40.20 C ATOM 545 CG MET A 36 -7.327 -2.946 -0.262 1.00 13.34 C ATOM 546 SD MET A 36 -6.446 -2.325 1.185 1.00 12.51 S ATOM 547 CE MET A 36 -7.210 -0.719 1.400 1.00 45.10 C ATOM 0 H MET A 36 -11.265 -3.575 0.056 1.00 1.22 H new ATOM 0 HA MET A 36 -9.491 -2.703 -1.983 1.00 0.33 H new ATOM 0 HB2 MET A 36 -9.226 -2.250 0.445 1.00 40.20 H new ATOM 0 HB3 MET A 36 -8.935 -3.955 0.732 1.00 40.20 H new ATOM 0 HG2 MET A 36 -6.881 -3.889 -0.577 1.00 13.34 H new ATOM 0 HG3 MET A 36 -7.203 -2.244 -1.087 1.00 13.34 H new ATOM 0 HE1 MET A 36 -6.536 -0.067 1.955 1.00 45.10 H new ATOM 0 HE2 MET A 36 -7.417 -0.281 0.424 1.00 45.10 H new ATOM 0 HE3 MET A 36 -8.143 -0.831 1.952 1.00 45.10 H new ATOM 557 N ASN A 37 -9.568 -5.953 -1.365 1.00 3.23 N ATOM 558 CA ASN A 37 -9.189 -7.270 -1.910 1.00 10.11 C ATOM 559 C ASN A 37 -9.569 -7.402 -3.392 1.00 23.00 C ATOM 560 O ASN A 37 -8.720 -7.674 -4.243 1.00 54.04 O ATOM 561 CB ASN A 37 -9.871 -8.400 -1.128 1.00 74.01 C ATOM 562 CG ASN A 37 -9.323 -8.593 0.272 1.00 11.52 C ATOM 563 OD1 ASN A 37 -9.318 -9.699 0.788 1.00 11.21 O ATOM 564 ND2 ASN A 37 -8.861 -7.534 0.903 1.00 51.11 N ATOM 0 H ASN A 37 -10.198 -5.997 -0.564 1.00 3.23 H new ATOM 0 HA ASN A 37 -8.106 -7.350 -1.812 1.00 10.11 H new ATOM 0 HB2 ASN A 37 -10.939 -8.192 -1.064 1.00 74.01 H new ATOM 0 HB3 ASN A 37 -9.760 -9.332 -1.683 1.00 74.01 H new ATOM 0 HD21 ASN A 37 -8.487 -7.626 1.847 1.00 51.11 H new ATOM 0 HD22 ASN A 37 -8.877 -6.621 0.448 1.00 51.11 H new ATOM 571 N GLY A 38 -10.854 -7.202 -3.690 1.00 65.42 N ATOM 572 CA GLY A 38 -11.346 -7.341 -5.057 1.00 72.34 C ATOM 573 C GLY A 38 -10.602 -6.466 -6.061 1.00 0.14 C ATOM 574 O GLY A 38 -10.268 -6.917 -7.156 1.00 1.14 O ATOM 0 H GLY A 38 -11.567 -6.945 -3.007 1.00 65.42 H new ATOM 0 HA2 GLY A 38 -11.260 -8.384 -5.362 1.00 72.34 H new ATOM 0 HA3 GLY A 38 -12.406 -7.088 -5.081 1.00 72.34 H new ATOM 578 N ARG A 39 -10.339 -5.216 -5.682 1.00 10.14 N ATOM 579 CA ARG A 39 -9.599 -4.285 -6.542 1.00 60.43 C ATOM 580 C ARG A 39 -8.165 -4.779 -6.818 1.00 54.53 C ATOM 581 O ARG A 39 -7.703 -4.751 -7.961 1.00 70.31 O ATOM 582 CB ARG A 39 -9.578 -2.882 -5.913 1.00 72.13 C ATOM 583 CG ARG A 39 -10.944 -2.196 -5.919 1.00 21.20 C ATOM 584 CD ARG A 39 -10.915 -0.837 -5.224 1.00 50.23 C ATOM 585 NE ARG A 39 -10.718 -0.953 -3.777 1.00 1.22 N ATOM 586 CZ ARG A 39 -10.961 0.011 -2.925 1.00 30.33 C ATOM 587 NH1 ARG A 39 -11.414 1.154 -3.331 1.00 2.44 N ATOM 588 NH2 ARG A 39 -10.768 -0.177 -1.660 1.00 11.44 N ATOM 0 H ARG A 39 -10.626 -4.822 -4.786 1.00 10.14 H new ATOM 0 HA ARG A 39 -10.115 -4.235 -7.501 1.00 60.43 H new ATOM 0 HB2 ARG A 39 -9.222 -2.957 -4.886 1.00 72.13 H new ATOM 0 HB3 ARG A 39 -8.864 -2.260 -6.453 1.00 72.13 H new ATOM 0 HG2 ARG A 39 -11.279 -2.068 -6.948 1.00 21.20 H new ATOM 0 HG3 ARG A 39 -11.673 -2.839 -5.425 1.00 21.20 H new ATOM 0 HD2 ARG A 39 -10.115 -0.232 -5.649 1.00 50.23 H new ATOM 0 HD3 ARG A 39 -11.850 -0.312 -5.420 1.00 50.23 H new ATOM 0 HE ARG A 39 -10.370 -1.839 -3.411 1.00 1.22 H new ATOM 0 HH11 ARG A 39 -11.585 1.311 -4.324 1.00 2.44 H new ATOM 0 HH12 ARG A 39 -11.600 1.897 -2.658 1.00 2.44 H new ATOM 0 HH21 ARG A 39 -10.426 -1.077 -1.325 1.00 11.44 H new ATOM 0 HH22 ARG A 39 -10.958 0.575 -0.998 1.00 11.44 H new ATOM 602 N LEU A 40 -7.474 -5.241 -5.773 1.00 14.44 N ATOM 603 CA LEU A 40 -6.106 -5.765 -5.918 1.00 72.12 C ATOM 604 C LEU A 40 -6.078 -7.027 -6.795 1.00 4.30 C ATOM 605 O LEU A 40 -5.303 -7.120 -7.752 1.00 21.14 O ATOM 606 CB LEU A 40 -5.505 -6.079 -4.539 1.00 34.31 C ATOM 607 CG LEU A 40 -5.341 -4.873 -3.604 1.00 1.11 C ATOM 608 CD1 LEU A 40 -4.729 -5.295 -2.269 1.00 75.42 C ATOM 609 CD2 LEU A 40 -4.497 -3.790 -4.269 1.00 13.32 C ATOM 0 H LEU A 40 -7.834 -5.265 -4.819 1.00 14.44 H new ATOM 0 HA LEU A 40 -5.508 -4.996 -6.407 1.00 72.12 H new ATOM 0 HB2 LEU A 40 -6.137 -6.817 -4.045 1.00 34.31 H new ATOM 0 HB3 LEU A 40 -4.528 -6.541 -4.683 1.00 34.31 H new ATOM 0 HG LEU A 40 -6.330 -4.462 -3.404 1.00 1.11 H new ATOM 0 HD11 LEU A 40 -4.623 -4.422 -1.625 1.00 75.42 H new ATOM 0 HD12 LEU A 40 -5.378 -6.026 -1.786 1.00 75.42 H new ATOM 0 HD13 LEU A 40 -3.749 -5.739 -2.442 1.00 75.42 H new ATOM 0 HD21 LEU A 40 -4.392 -2.943 -3.591 1.00 13.32 H new ATOM 0 HD22 LEU A 40 -3.511 -4.191 -4.505 1.00 13.32 H new ATOM 0 HD23 LEU A 40 -4.984 -3.461 -5.187 1.00 13.32 H new ATOM 621 N ARG A 41 -6.936 -7.991 -6.468 1.00 34.33 N ATOM 622 CA ARG A 41 -7.014 -9.246 -7.219 1.00 12.22 C ATOM 623 C ARG A 41 -7.379 -8.998 -8.692 1.00 74.20 C ATOM 624 O ARG A 41 -6.865 -9.671 -9.587 1.00 60.14 O ATOM 625 CB ARG A 41 -8.034 -10.199 -6.578 1.00 21.21 C ATOM 626 CG ARG A 41 -8.084 -11.574 -7.244 1.00 33.34 C ATOM 627 CD ARG A 41 -9.001 -12.541 -6.502 1.00 50.20 C ATOM 628 NE ARG A 41 -10.390 -12.082 -6.458 1.00 50.45 N ATOM 629 CZ ARG A 41 -11.424 -12.883 -6.450 1.00 24.11 C ATOM 630 NH1 ARG A 41 -11.269 -14.157 -6.616 1.00 44.32 N ATOM 631 NH2 ARG A 41 -12.615 -12.402 -6.302 1.00 10.15 N ATOM 0 H ARG A 41 -7.589 -7.929 -5.687 1.00 34.33 H new ATOM 0 HA ARG A 41 -6.028 -9.709 -7.187 1.00 12.22 H new ATOM 0 HB2 ARG A 41 -7.790 -10.323 -5.523 1.00 21.21 H new ATOM 0 HB3 ARG A 41 -9.024 -9.745 -6.625 1.00 21.21 H new ATOM 0 HG2 ARG A 41 -8.429 -11.465 -8.272 1.00 33.34 H new ATOM 0 HG3 ARG A 41 -7.078 -11.991 -7.288 1.00 33.34 H new ATOM 0 HD2 ARG A 41 -8.960 -13.517 -6.986 1.00 50.20 H new ATOM 0 HD3 ARG A 41 -8.634 -12.674 -5.484 1.00 50.20 H new ATOM 0 HE ARG A 41 -10.562 -11.077 -6.432 1.00 50.45 H new ATOM 0 HH11 ARG A 41 -10.335 -14.543 -6.754 1.00 44.32 H new ATOM 0 HH12 ARG A 41 -12.081 -14.775 -6.608 1.00 44.32 H new ATOM 0 HH21 ARG A 41 -12.749 -11.397 -6.191 1.00 10.15 H new ATOM 0 HH22 ARG A 41 -13.421 -13.028 -6.296 1.00 10.15 H new ATOM 645 N ALA A 42 -8.266 -8.028 -8.935 1.00 53.45 N ATOM 646 CA ALA A 42 -8.660 -7.654 -10.301 1.00 73.31 C ATOM 647 C ALA A 42 -7.443 -7.219 -11.133 1.00 61.30 C ATOM 648 O ALA A 42 -7.286 -7.625 -12.289 1.00 4.35 O ATOM 649 CB ALA A 42 -9.702 -6.539 -10.270 1.00 40.40 C ATOM 0 H ALA A 42 -8.726 -7.486 -8.204 1.00 53.45 H new ATOM 0 HA ALA A 42 -9.097 -8.533 -10.774 1.00 73.31 H new ATOM 0 HB1 ALA A 42 -9.982 -6.275 -11.290 1.00 40.40 H new ATOM 0 HB2 ALA A 42 -10.584 -6.880 -9.728 1.00 40.40 H new ATOM 0 HB3 ALA A 42 -9.285 -5.665 -9.770 1.00 40.40 H new ATOM 655 N ILE A 43 -6.576 -6.403 -10.532 1.00 33.10 N ATOM 656 CA ILE A 43 -5.356 -5.942 -11.204 1.00 24.43 C ATOM 657 C ILE A 43 -4.437 -7.122 -11.563 1.00 62.02 C ATOM 658 O ILE A 43 -3.824 -7.145 -12.631 1.00 60.22 O ATOM 659 CB ILE A 43 -4.571 -4.924 -10.333 1.00 32.41 C ATOM 660 CG1 ILE A 43 -5.469 -3.732 -9.956 1.00 23.30 C ATOM 661 CG2 ILE A 43 -3.318 -4.436 -11.063 1.00 12.44 C ATOM 662 CD1 ILE A 43 -4.804 -2.722 -9.044 1.00 22.24 C ATOM 0 H ILE A 43 -6.694 -6.047 -9.583 1.00 33.10 H new ATOM 0 HA ILE A 43 -5.673 -5.445 -12.121 1.00 24.43 H new ATOM 0 HB ILE A 43 -4.260 -5.429 -9.418 1.00 32.41 H new ATOM 0 HG12 ILE A 43 -5.787 -3.228 -10.868 1.00 23.30 H new ATOM 0 HG13 ILE A 43 -6.369 -4.108 -9.469 1.00 23.30 H new ATOM 0 HG21 ILE A 43 -2.784 -3.724 -10.434 1.00 12.44 H new ATOM 0 HG22 ILE A 43 -2.670 -5.285 -11.281 1.00 12.44 H new ATOM 0 HG23 ILE A 43 -3.606 -3.951 -11.996 1.00 12.44 H new ATOM 0 HD11 ILE A 43 -5.502 -1.914 -8.826 1.00 22.24 H new ATOM 0 HD12 ILE A 43 -4.511 -3.209 -8.114 1.00 22.24 H new ATOM 0 HD13 ILE A 43 -3.920 -2.315 -9.535 1.00 22.24 H new ATOM 674 N ARG A 44 -4.348 -8.111 -10.673 1.00 54.21 N ATOM 675 CA ARG A 44 -3.545 -9.309 -10.948 1.00 65.40 C ATOM 676 C ARG A 44 -4.242 -10.225 -11.971 1.00 72.11 C ATOM 677 O ARG A 44 -3.588 -10.888 -12.774 1.00 21.55 O ATOM 678 CB ARG A 44 -3.253 -10.090 -9.660 1.00 5.12 C ATOM 679 CG ARG A 44 -2.232 -11.210 -9.856 1.00 74.13 C ATOM 680 CD ARG A 44 -1.919 -11.945 -8.559 1.00 61.22 C ATOM 681 NE ARG A 44 -3.055 -12.726 -8.067 1.00 3.24 N ATOM 682 CZ ARG A 44 -3.045 -13.398 -6.946 1.00 61.23 C ATOM 683 NH1 ARG A 44 -1.984 -13.426 -6.202 1.00 70.34 N ATOM 684 NH2 ARG A 44 -4.088 -14.065 -6.575 1.00 15.15 N ATOM 0 H ARG A 44 -4.814 -8.110 -9.766 1.00 54.21 H new ATOM 0 HA ARG A 44 -2.599 -8.972 -11.372 1.00 65.40 H new ATOM 0 HB2 ARG A 44 -2.886 -9.401 -8.900 1.00 5.12 H new ATOM 0 HB3 ARG A 44 -4.182 -10.516 -9.282 1.00 5.12 H new ATOM 0 HG2 ARG A 44 -2.613 -11.920 -10.590 1.00 74.13 H new ATOM 0 HG3 ARG A 44 -1.312 -10.792 -10.264 1.00 74.13 H new ATOM 0 HD2 ARG A 44 -1.068 -12.608 -8.717 1.00 61.22 H new ATOM 0 HD3 ARG A 44 -1.623 -11.222 -7.799 1.00 61.22 H new ATOM 0 HE ARG A 44 -3.904 -12.747 -8.632 1.00 3.24 H new ATOM 0 HH11 ARG A 44 -1.146 -12.920 -6.489 1.00 70.34 H new ATOM 0 HH12 ARG A 44 -1.987 -13.954 -5.329 1.00 70.34 H new ATOM 0 HH21 ARG A 44 -4.925 -14.069 -7.158 1.00 15.15 H new ATOM 0 HH22 ARG A 44 -4.074 -14.588 -5.699 1.00 15.15 H new ATOM 698 N SER A 45 -5.568 -10.251 -11.937 1.00 44.03 N ATOM 699 CA SER A 45 -6.358 -11.050 -12.885 1.00 73.12 C ATOM 700 C SER A 45 -6.222 -10.506 -14.312 1.00 44.13 C ATOM 701 O SER A 45 -6.147 -11.266 -15.278 1.00 20.31 O ATOM 702 CB SER A 45 -7.838 -11.057 -12.474 1.00 32.35 C ATOM 703 OG SER A 45 -8.628 -11.839 -13.362 1.00 60.41 O ATOM 0 H SER A 45 -6.127 -9.728 -11.263 1.00 44.03 H new ATOM 0 HA SER A 45 -5.973 -12.070 -12.864 1.00 73.12 H new ATOM 0 HB2 SER A 45 -7.932 -11.450 -11.462 1.00 32.35 H new ATOM 0 HB3 SER A 45 -8.215 -10.035 -12.456 1.00 32.35 H new ATOM 0 HG SER A 45 -9.563 -11.822 -13.069 1.00 60.41 H new ATOM 709 N SER A 46 -6.186 -9.181 -14.430 1.00 61.11 N ATOM 710 CA SER A 46 -6.088 -8.513 -15.736 1.00 62.32 C ATOM 711 C SER A 46 -4.630 -8.222 -16.131 1.00 21.41 C ATOM 712 O SER A 46 -4.133 -8.738 -17.133 1.00 2.22 O ATOM 713 CB SER A 46 -6.890 -7.204 -15.712 1.00 3.03 C ATOM 714 OG SER A 46 -6.805 -6.517 -16.950 1.00 24.24 O ATOM 0 H SER A 46 -6.223 -8.542 -13.636 1.00 61.11 H new ATOM 0 HA SER A 46 -6.502 -9.191 -16.483 1.00 62.32 H new ATOM 0 HB2 SER A 46 -7.934 -7.420 -15.486 1.00 3.03 H new ATOM 0 HB3 SER A 46 -6.517 -6.563 -14.913 1.00 3.03 H new ATOM 0 HG SER A 46 -7.328 -5.689 -16.901 1.00 24.24 H new ATOM 720 N HIS A 47 -3.943 -7.407 -15.326 1.00 24.42 N ATOM 721 CA HIS A 47 -2.584 -6.937 -15.651 1.00 10.40 C ATOM 722 C HIS A 47 -1.485 -7.850 -15.070 1.00 21.44 C ATOM 723 O HIS A 47 -0.295 -7.639 -15.321 1.00 33.14 O ATOM 724 CB HIS A 47 -2.395 -5.507 -15.125 1.00 43.32 C ATOM 725 CG HIS A 47 -3.443 -4.549 -15.604 1.00 52.35 C ATOM 726 ND1 HIS A 47 -3.300 -3.863 -16.783 1.00 41.44 N ATOM 727 CD2 HIS A 47 -4.622 -4.203 -15.030 1.00 25.02 C ATOM 728 CE1 HIS A 47 -4.384 -3.122 -16.902 1.00 55.30 C ATOM 729 NE2 HIS A 47 -5.216 -3.294 -15.866 1.00 63.01 N ATOM 0 H HIS A 47 -4.304 -7.055 -14.439 1.00 24.42 H new ATOM 0 HA HIS A 47 -2.484 -6.961 -16.736 1.00 10.40 H new ATOM 0 HB2 HIS A 47 -2.402 -5.526 -14.035 1.00 43.32 H new ATOM 0 HB3 HIS A 47 -1.414 -5.143 -15.431 1.00 43.32 H new ATOM 0 HD1 HIS A 47 -2.516 -3.915 -17.434 1.00 41.44 H new ATOM 0 HD2 HIS A 47 -5.016 -4.572 -14.095 1.00 25.02 H new ATOM 0 HE1 HIS A 47 -4.577 -2.458 -17.732 1.00 55.30 H new ATOM 737 N ALA A 48 -1.889 -8.854 -14.286 1.00 63.41 N ATOM 738 CA ALA A 48 -0.946 -9.799 -13.659 1.00 24.42 C ATOM 739 C ALA A 48 -0.006 -9.103 -12.654 1.00 14.11 C ATOM 740 O ALA A 48 1.103 -9.573 -12.393 1.00 53.12 O ATOM 741 CB ALA A 48 -0.145 -10.540 -14.729 1.00 4.03 C ATOM 0 H ALA A 48 -2.868 -9.038 -14.067 1.00 63.41 H new ATOM 0 HA ALA A 48 -1.535 -10.522 -13.095 1.00 24.42 H new ATOM 0 HB1 ALA A 48 0.546 -11.234 -14.251 1.00 4.03 H new ATOM 0 HB2 ALA A 48 -0.826 -11.094 -15.375 1.00 4.03 H new ATOM 0 HB3 ALA A 48 0.417 -9.821 -15.326 1.00 4.03 H new ATOM 747 N VAL A 49 -0.468 -7.994 -12.077 1.00 63.21 N ATOM 748 CA VAL A 49 0.328 -7.225 -11.111 1.00 2.10 C ATOM 749 C VAL A 49 0.091 -7.687 -9.664 1.00 63.13 C ATOM 750 O VAL A 49 -1.049 -7.777 -9.208 1.00 73.25 O ATOM 751 CB VAL A 49 0.009 -5.713 -11.210 1.00 4.24 C ATOM 752 CG1 VAL A 49 0.835 -4.909 -10.207 1.00 31.31 C ATOM 753 CG2 VAL A 49 0.235 -5.207 -12.635 1.00 5.15 C ATOM 0 H VAL A 49 -1.393 -7.604 -12.260 1.00 63.21 H new ATOM 0 HA VAL A 49 1.373 -7.402 -11.366 1.00 2.10 H new ATOM 0 HB VAL A 49 -1.043 -5.573 -10.961 1.00 4.24 H new ATOM 0 HG11 VAL A 49 0.590 -3.851 -10.299 1.00 31.31 H new ATOM 0 HG12 VAL A 49 0.609 -5.247 -9.196 1.00 31.31 H new ATOM 0 HG13 VAL A 49 1.896 -5.055 -10.410 1.00 31.31 H new ATOM 0 HG21 VAL A 49 0.005 -4.143 -12.684 1.00 5.15 H new ATOM 0 HG22 VAL A 49 1.276 -5.367 -12.917 1.00 5.15 H new ATOM 0 HG23 VAL A 49 -0.415 -5.750 -13.321 1.00 5.15 H new ATOM 763 N GLU A 50 1.177 -7.974 -8.949 1.00 32.54 N ATOM 764 CA GLU A 50 1.103 -8.333 -7.530 1.00 61.24 C ATOM 765 C GLU A 50 1.121 -7.067 -6.654 1.00 53.14 C ATOM 766 O GLU A 50 2.180 -6.501 -6.386 1.00 24.22 O ATOM 767 CB GLU A 50 2.277 -9.253 -7.162 1.00 41.22 C ATOM 768 CG GLU A 50 2.390 -10.487 -8.052 1.00 62.33 C ATOM 769 CD GLU A 50 3.571 -11.376 -7.689 1.00 33.00 C ATOM 770 OE1 GLU A 50 4.677 -11.165 -8.235 1.00 75.41 O ATOM 771 OE2 GLU A 50 3.395 -12.296 -6.861 1.00 31.35 O ATOM 0 H GLU A 50 2.124 -7.965 -9.329 1.00 32.54 H new ATOM 0 HA GLU A 50 0.168 -8.863 -7.349 1.00 61.24 H new ATOM 0 HB2 GLU A 50 3.205 -8.685 -7.223 1.00 41.22 H new ATOM 0 HB3 GLU A 50 2.166 -9.572 -6.126 1.00 41.22 H new ATOM 0 HG2 GLU A 50 1.470 -11.067 -7.978 1.00 62.33 H new ATOM 0 HG3 GLU A 50 2.486 -10.171 -9.091 1.00 62.33 H new ATOM 778 N PHE A 51 -0.060 -6.616 -6.238 1.00 61.52 N ATOM 779 CA PHE A 51 -0.201 -5.381 -5.448 1.00 32.54 C ATOM 780 C PHE A 51 -0.687 -5.704 -4.022 1.00 74.44 C ATOM 781 O PHE A 51 -1.852 -6.033 -3.813 1.00 74.23 O ATOM 782 CB PHE A 51 -1.186 -4.438 -6.166 1.00 52.44 C ATOM 783 CG PHE A 51 -1.301 -3.036 -5.598 1.00 50.24 C ATOM 784 CD1 PHE A 51 -0.552 -2.622 -4.500 1.00 15.11 C ATOM 785 CD2 PHE A 51 -2.173 -2.125 -6.181 1.00 54.11 C ATOM 786 CE1 PHE A 51 -0.675 -1.337 -4.003 1.00 24.50 C ATOM 787 CE2 PHE A 51 -2.297 -0.843 -5.686 1.00 14.41 C ATOM 788 CZ PHE A 51 -1.550 -0.448 -4.598 1.00 62.14 C ATOM 0 H PHE A 51 -0.943 -7.087 -6.433 1.00 61.52 H new ATOM 0 HA PHE A 51 0.768 -4.889 -5.361 1.00 32.54 H new ATOM 0 HB2 PHE A 51 -0.887 -4.361 -7.212 1.00 52.44 H new ATOM 0 HB3 PHE A 51 -2.174 -4.897 -6.150 1.00 52.44 H new ATOM 0 HD1 PHE A 51 0.133 -3.312 -4.031 1.00 15.11 H new ATOM 0 HD2 PHE A 51 -2.763 -2.425 -7.035 1.00 54.11 H new ATOM 0 HE1 PHE A 51 -0.088 -1.029 -3.151 1.00 24.50 H new ATOM 0 HE2 PHE A 51 -2.980 -0.149 -6.152 1.00 14.41 H new ATOM 0 HZ PHE A 51 -1.648 0.555 -4.210 1.00 62.14 H new ATOM 798 N ALA A 52 0.218 -5.608 -3.045 1.00 21.10 N ATOM 799 CA ALA A 52 -0.093 -5.977 -1.654 1.00 65.14 C ATOM 800 C ALA A 52 -0.145 -4.755 -0.719 1.00 24.23 C ATOM 801 O ALA A 52 0.655 -3.827 -0.846 1.00 12.51 O ATOM 802 CB ALA A 52 0.934 -6.986 -1.146 1.00 15.44 C ATOM 0 H ALA A 52 1.173 -5.278 -3.187 1.00 21.10 H new ATOM 0 HA ALA A 52 -1.087 -6.425 -1.649 1.00 65.14 H new ATOM 0 HB1 ALA A 52 0.700 -7.256 -0.116 1.00 15.44 H new ATOM 0 HB2 ALA A 52 0.907 -7.879 -1.771 1.00 15.44 H new ATOM 0 HB3 ALA A 52 1.930 -6.544 -1.188 1.00 15.44 H new ATOM 808 N VAL A 53 -1.087 -4.775 0.230 1.00 22.55 N ATOM 809 CA VAL A 53 -1.252 -3.684 1.205 1.00 21.41 C ATOM 810 C VAL A 53 -1.152 -4.203 2.654 1.00 40.12 C ATOM 811 O VAL A 53 -1.964 -5.019 3.093 1.00 74.34 O ATOM 812 CB VAL A 53 -2.615 -2.965 1.020 1.00 32.24 C ATOM 813 CG1 VAL A 53 -2.769 -1.818 2.022 1.00 12.12 C ATOM 814 CG2 VAL A 53 -2.772 -2.459 -0.416 1.00 52.13 C ATOM 0 H VAL A 53 -1.753 -5.539 0.346 1.00 22.55 H new ATOM 0 HA VAL A 53 -0.444 -2.976 1.023 1.00 21.41 H new ATOM 0 HB VAL A 53 -3.407 -3.689 1.213 1.00 32.24 H new ATOM 0 HG11 VAL A 53 -3.732 -1.330 1.872 1.00 12.12 H new ATOM 0 HG12 VAL A 53 -2.716 -2.212 3.037 1.00 12.12 H new ATOM 0 HG13 VAL A 53 -1.968 -1.094 1.872 1.00 12.12 H new ATOM 0 HG21 VAL A 53 -3.734 -1.959 -0.522 1.00 52.13 H new ATOM 0 HG22 VAL A 53 -1.971 -1.756 -0.644 1.00 52.13 H new ATOM 0 HG23 VAL A 53 -2.723 -3.301 -1.106 1.00 52.13 H new ATOM 824 N VAL A 54 -0.158 -3.714 3.395 1.00 53.45 N ATOM 825 CA VAL A 54 0.081 -4.145 4.781 1.00 41.01 C ATOM 826 C VAL A 54 -0.145 -2.998 5.782 1.00 71.23 C ATOM 827 O VAL A 54 0.191 -1.848 5.507 1.00 42.12 O ATOM 828 CB VAL A 54 1.528 -4.680 4.946 1.00 24.11 C ATOM 829 CG1 VAL A 54 1.783 -5.168 6.373 1.00 21.30 C ATOM 830 CG2 VAL A 54 1.810 -5.790 3.933 1.00 51.23 C ATOM 0 H VAL A 54 0.502 -3.013 3.059 1.00 53.45 H new ATOM 0 HA VAL A 54 -0.634 -4.940 4.994 1.00 41.01 H new ATOM 0 HB VAL A 54 2.213 -3.855 4.753 1.00 24.11 H new ATOM 0 HG11 VAL A 54 2.806 -5.536 6.454 1.00 21.30 H new ATOM 0 HG12 VAL A 54 1.638 -4.343 7.071 1.00 21.30 H new ATOM 0 HG13 VAL A 54 1.088 -5.973 6.612 1.00 21.30 H new ATOM 0 HG21 VAL A 54 2.830 -6.152 4.065 1.00 51.23 H new ATOM 0 HG22 VAL A 54 1.110 -6.611 4.089 1.00 51.23 H new ATOM 0 HG23 VAL A 54 1.691 -5.399 2.922 1.00 51.23 H new ATOM 840 N THR A 55 -0.714 -3.316 6.947 1.00 51.35 N ATOM 841 CA THR A 55 -0.942 -2.318 8.008 1.00 52.15 C ATOM 842 C THR A 55 -0.435 -2.822 9.365 1.00 53.41 C ATOM 843 O THR A 55 -0.853 -3.880 9.841 1.00 31.32 O ATOM 844 CB THR A 55 -2.442 -1.953 8.146 1.00 62.21 C ATOM 845 OG1 THR A 55 -3.203 -3.102 8.550 1.00 24.34 O ATOM 846 CG2 THR A 55 -2.998 -1.417 6.834 1.00 60.40 C ATOM 0 H THR A 55 -1.028 -4.257 7.185 1.00 51.35 H new ATOM 0 HA THR A 55 -0.385 -1.429 7.714 1.00 52.15 H new ATOM 0 HB THR A 55 -2.525 -1.177 8.907 1.00 62.21 H new ATOM 0 HG1 THR A 55 -2.617 -3.737 9.012 1.00 24.34 H new ATOM 0 HG21 THR A 55 -4.052 -1.169 6.960 1.00 60.40 H new ATOM 0 HG22 THR A 55 -2.447 -0.523 6.544 1.00 60.40 H new ATOM 0 HG23 THR A 55 -2.894 -2.175 6.058 1.00 60.40 H new ATOM 854 N LEU A 56 0.460 -2.057 9.992 1.00 2.54 N ATOM 855 CA LEU A 56 1.034 -2.434 11.294 1.00 14.12 C ATOM 856 C LEU A 56 0.745 -1.376 12.372 1.00 14.44 C ATOM 857 O LEU A 56 0.839 -0.173 12.110 1.00 33.03 O ATOM 858 CB LEU A 56 2.549 -2.620 11.172 1.00 35.13 C ATOM 859 CG LEU A 56 3.015 -3.636 10.119 1.00 72.34 C ATOM 860 CD1 LEU A 56 4.532 -3.617 10.003 1.00 33.31 C ATOM 861 CD2 LEU A 56 2.522 -5.039 10.461 1.00 62.13 C ATOM 0 H LEU A 56 0.806 -1.171 9.623 1.00 2.54 H new ATOM 0 HA LEU A 56 0.565 -3.371 11.594 1.00 14.12 H new ATOM 0 HB2 LEU A 56 2.997 -1.654 10.940 1.00 35.13 H new ATOM 0 HB3 LEU A 56 2.938 -2.927 12.143 1.00 35.13 H new ATOM 0 HG LEU A 56 2.588 -3.353 9.157 1.00 72.34 H new ATOM 0 HD11 LEU A 56 4.849 -4.342 9.253 1.00 33.31 H new ATOM 0 HD12 LEU A 56 4.862 -2.621 9.707 1.00 33.31 H new ATOM 0 HD13 LEU A 56 4.974 -3.874 10.966 1.00 33.31 H new ATOM 0 HD21 LEU A 56 2.865 -5.741 9.701 1.00 62.13 H new ATOM 0 HD22 LEU A 56 2.916 -5.336 11.433 1.00 62.13 H new ATOM 0 HD23 LEU A 56 1.433 -5.044 10.494 1.00 62.13 H new ATOM 873 N PRO A 57 0.412 -1.805 13.609 1.00 50.43 N ATOM 874 CA PRO A 57 0.115 -0.881 14.717 1.00 15.43 C ATOM 875 C PRO A 57 1.377 -0.343 15.417 1.00 3.10 C ATOM 876 O PRO A 57 1.302 0.589 16.218 1.00 12.44 O ATOM 877 CB PRO A 57 -0.701 -1.757 15.670 1.00 44.34 C ATOM 878 CG PRO A 57 -0.157 -3.133 15.473 1.00 61.35 C ATOM 879 CD PRO A 57 0.281 -3.219 14.027 1.00 53.34 C ATOM 0 HA PRO A 57 -0.400 0.016 14.374 1.00 15.43 H new ATOM 0 HB2 PRO A 57 -0.588 -1.430 16.704 1.00 44.34 H new ATOM 0 HB3 PRO A 57 -1.765 -1.714 15.436 1.00 44.34 H new ATOM 0 HG2 PRO A 57 0.682 -3.318 16.144 1.00 61.35 H new ATOM 0 HG3 PRO A 57 -0.914 -3.885 15.694 1.00 61.35 H new ATOM 0 HD2 PRO A 57 1.225 -3.754 13.927 1.00 53.34 H new ATOM 0 HD3 PRO A 57 -0.452 -3.749 13.419 1.00 53.34 H new ATOM 887 N SER A 58 2.533 -0.941 15.118 1.00 1.34 N ATOM 888 CA SER A 58 3.805 -0.534 15.735 1.00 73.34 C ATOM 889 C SER A 58 5.008 -1.190 15.053 1.00 53.43 C ATOM 890 O SER A 58 4.960 -2.365 14.706 1.00 3.32 O ATOM 891 CB SER A 58 3.826 -0.900 17.227 1.00 52.03 C ATOM 892 OG SER A 58 5.090 -0.621 17.814 1.00 23.35 O ATOM 0 H SER A 58 2.618 -1.709 14.453 1.00 1.34 H new ATOM 0 HA SER A 58 3.879 0.547 15.613 1.00 73.34 H new ATOM 0 HB2 SER A 58 3.049 -0.342 17.750 1.00 52.03 H new ATOM 0 HB3 SER A 58 3.594 -1.958 17.346 1.00 52.03 H new ATOM 0 HG SER A 58 5.412 0.249 17.499 1.00 23.35 H new ATOM 898 N ILE A 59 6.078 -0.421 14.854 1.00 71.15 N ATOM 899 CA ILE A 59 7.369 -0.967 14.397 1.00 71.05 C ATOM 900 C ILE A 59 8.527 -0.337 15.189 1.00 52.31 C ATOM 901 O ILE A 59 9.695 -0.663 14.972 1.00 71.02 O ATOM 902 CB ILE A 59 7.622 -0.744 12.877 1.00 11.41 C ATOM 903 CG1 ILE A 59 7.862 0.745 12.564 1.00 41.41 C ATOM 904 CG2 ILE A 59 6.458 -1.287 12.046 1.00 32.22 C ATOM 905 CD1 ILE A 59 8.267 1.011 11.124 1.00 71.23 C ATOM 0 H ILE A 59 6.082 0.588 15.001 1.00 71.15 H new ATOM 0 HA ILE A 59 7.323 -2.042 14.573 1.00 71.05 H new ATOM 0 HB ILE A 59 8.523 -1.294 12.607 1.00 11.41 H new ATOM 0 HG12 ILE A 59 6.953 1.304 12.785 1.00 41.41 H new ATOM 0 HG13 ILE A 59 8.640 1.125 13.227 1.00 41.41 H new ATOM 0 HG21 ILE A 59 6.657 -1.120 10.988 1.00 32.22 H new ATOM 0 HG22 ILE A 59 6.347 -2.356 12.230 1.00 32.22 H new ATOM 0 HG23 ILE A 59 5.539 -0.773 12.328 1.00 32.22 H new ATOM 0 HD11 ILE A 59 8.418 2.081 10.980 1.00 71.23 H new ATOM 0 HD12 ILE A 59 9.193 0.481 10.903 1.00 71.23 H new ATOM 0 HD13 ILE A 59 7.481 0.663 10.455 1.00 71.23 H new ATOM 917 N GLY A 60 8.186 0.562 16.113 1.00 45.42 N ATOM 918 CA GLY A 60 9.191 1.265 16.898 1.00 54.33 C ATOM 919 C GLY A 60 10.024 2.238 16.074 1.00 33.34 C ATOM 920 O GLY A 60 9.603 2.691 15.004 1.00 14.45 O ATOM 0 H GLY A 60 7.223 0.817 16.333 1.00 45.42 H new ATOM 0 HA2 GLY A 60 8.698 1.810 17.703 1.00 54.33 H new ATOM 0 HA3 GLY A 60 9.853 0.536 17.366 1.00 54.33 H new ATOM 924 N ASP A 61 11.206 2.579 16.576 1.00 33.32 N ATOM 925 CA ASP A 61 12.128 3.447 15.848 1.00 54.03 C ATOM 926 C ASP A 61 12.813 2.682 14.705 1.00 51.03 C ATOM 927 O ASP A 61 14.005 2.370 14.765 1.00 70.42 O ATOM 928 CB ASP A 61 13.162 4.041 16.810 1.00 63.13 C ATOM 929 CG ASP A 61 12.505 4.850 17.913 1.00 34.31 C ATOM 930 OD1 ASP A 61 12.033 4.244 18.900 1.00 73.20 O ATOM 931 OD2 ASP A 61 12.430 6.092 17.790 1.00 65.14 O ATOM 0 H ASP A 61 11.549 2.268 17.485 1.00 33.32 H new ATOM 0 HA ASP A 61 11.560 4.265 15.404 1.00 54.03 H new ATOM 0 HB2 ASP A 61 13.752 3.238 17.251 1.00 63.13 H new ATOM 0 HB3 ASP A 61 13.852 4.676 16.255 1.00 63.13 H new ATOM 936 N ALA A 62 12.031 2.353 13.680 1.00 41.22 N ATOM 937 CA ALA A 62 12.527 1.639 12.502 1.00 24.15 C ATOM 938 C ALA A 62 12.196 2.403 11.205 1.00 43.12 C ATOM 939 O ALA A 62 11.125 3.007 11.087 1.00 32.03 O ATOM 940 CB ALA A 62 11.932 0.233 12.457 1.00 73.04 C ATOM 0 H ALA A 62 11.036 2.573 13.641 1.00 41.22 H new ATOM 0 HA ALA A 62 13.612 1.567 12.578 1.00 24.15 H new ATOM 0 HB1 ALA A 62 12.306 -0.292 11.578 1.00 73.04 H new ATOM 0 HB2 ALA A 62 12.220 -0.313 13.355 1.00 73.04 H new ATOM 0 HB3 ALA A 62 10.845 0.299 12.405 1.00 73.04 H new ATOM 946 N PRO A 63 13.115 2.395 10.218 1.00 33.44 N ATOM 947 CA PRO A 63 12.902 3.084 8.938 1.00 32.23 C ATOM 948 C PRO A 63 12.002 2.293 7.968 1.00 73.42 C ATOM 949 O PRO A 63 12.354 1.200 7.519 1.00 23.23 O ATOM 950 CB PRO A 63 14.326 3.217 8.383 1.00 44.33 C ATOM 951 CG PRO A 63 15.060 2.039 8.935 1.00 51.45 C ATOM 952 CD PRO A 63 14.431 1.727 10.275 1.00 42.01 C ATOM 0 HA PRO A 63 12.383 4.034 9.065 1.00 32.23 H new ATOM 0 HB2 PRO A 63 14.328 3.210 7.293 1.00 44.33 H new ATOM 0 HB3 PRO A 63 14.787 4.153 8.697 1.00 44.33 H new ATOM 0 HG2 PRO A 63 14.983 1.185 8.263 1.00 51.45 H new ATOM 0 HG3 PRO A 63 16.121 2.262 9.047 1.00 51.45 H new ATOM 0 HD2 PRO A 63 14.327 0.653 10.426 1.00 42.01 H new ATOM 0 HD3 PRO A 63 15.036 2.107 11.098 1.00 42.01 H new ATOM 960 N LEU A 64 10.845 2.864 7.636 1.00 62.22 N ATOM 961 CA LEU A 64 9.873 2.202 6.755 1.00 73.24 C ATOM 962 C LEU A 64 10.459 1.909 5.362 1.00 12.14 C ATOM 963 O LEU A 64 10.188 0.861 4.776 1.00 40.13 O ATOM 964 CB LEU A 64 8.606 3.061 6.620 1.00 53.22 C ATOM 965 CG LEU A 64 7.536 2.511 5.660 1.00 1.12 C ATOM 966 CD1 LEU A 64 7.101 1.105 6.067 1.00 65.44 C ATOM 967 CD2 LEU A 64 6.336 3.447 5.606 1.00 54.54 C ATOM 0 H LEU A 64 10.554 3.785 7.963 1.00 62.22 H new ATOM 0 HA LEU A 64 9.619 1.246 7.214 1.00 73.24 H new ATOM 0 HB2 LEU A 64 8.159 3.177 7.607 1.00 53.22 H new ATOM 0 HB3 LEU A 64 8.896 4.056 6.282 1.00 53.22 H new ATOM 0 HG LEU A 64 7.976 2.451 4.664 1.00 1.12 H new ATOM 0 HD11 LEU A 64 6.345 0.742 5.371 1.00 65.44 H new ATOM 0 HD12 LEU A 64 7.962 0.438 6.047 1.00 65.44 H new ATOM 0 HD13 LEU A 64 6.685 1.130 7.074 1.00 65.44 H new ATOM 0 HD21 LEU A 64 5.589 3.042 4.922 1.00 54.54 H new ATOM 0 HD22 LEU A 64 5.903 3.541 6.602 1.00 54.54 H new ATOM 0 HD23 LEU A 64 6.655 4.428 5.255 1.00 54.54 H new ATOM 979 N GLU A 65 11.269 2.831 4.842 1.00 2.31 N ATOM 980 CA GLU A 65 11.872 2.668 3.508 1.00 41.42 C ATOM 981 C GLU A 65 12.924 1.539 3.484 1.00 23.54 C ATOM 982 O GLU A 65 13.427 1.163 2.423 1.00 3.25 O ATOM 983 CB GLU A 65 12.482 3.996 3.043 1.00 21.02 C ATOM 984 CG GLU A 65 11.469 5.140 2.996 1.00 74.21 C ATOM 985 CD GLU A 65 12.066 6.440 2.486 1.00 33.44 C ATOM 986 OE1 GLU A 65 12.828 7.081 3.241 1.00 44.31 O ATOM 987 OE2 GLU A 65 11.775 6.828 1.332 1.00 14.51 O ATOM 0 H GLU A 65 11.525 3.696 5.317 1.00 2.31 H new ATOM 0 HA GLU A 65 11.081 2.379 2.816 1.00 41.42 H new ATOM 0 HB2 GLU A 65 13.297 4.268 3.713 1.00 21.02 H new ATOM 0 HB3 GLU A 65 12.915 3.862 2.052 1.00 21.02 H new ATOM 0 HG2 GLU A 65 10.635 4.853 2.355 1.00 74.21 H new ATOM 0 HG3 GLU A 65 11.063 5.300 3.995 1.00 74.21 H new ATOM 994 N ASP A 66 13.264 1.018 4.661 1.00 74.24 N ATOM 995 CA ASP A 66 14.093 -0.187 4.774 1.00 35.44 C ATOM 996 C ASP A 66 13.192 -1.418 4.960 1.00 21.12 C ATOM 997 O ASP A 66 13.443 -2.494 4.403 1.00 24.54 O ATOM 998 CB ASP A 66 15.057 -0.047 5.957 1.00 33.52 C ATOM 999 CG ASP A 66 16.057 -1.186 6.031 1.00 1.21 C ATOM 1000 OD1 ASP A 66 16.966 -1.234 5.176 1.00 51.14 O ATOM 1001 OD2 ASP A 66 15.944 -2.035 6.939 1.00 22.23 O ATOM 0 H ASP A 66 12.978 1.412 5.557 1.00 74.24 H new ATOM 0 HA ASP A 66 14.677 -0.312 3.862 1.00 35.44 H new ATOM 0 HB2 ASP A 66 15.594 0.898 5.874 1.00 33.52 H new ATOM 0 HB3 ASP A 66 14.486 -0.009 6.884 1.00 33.52 H new ATOM 1006 N PHE A 67 12.134 -1.229 5.750 1.00 51.12 N ATOM 1007 CA PHE A 67 11.114 -2.256 5.983 1.00 54.24 C ATOM 1008 C PHE A 67 10.505 -2.767 4.663 1.00 22.14 C ATOM 1009 O PHE A 67 10.421 -3.977 4.437 1.00 33.43 O ATOM 1010 CB PHE A 67 10.009 -1.669 6.880 1.00 11.32 C ATOM 1011 CG PHE A 67 8.883 -2.626 7.197 1.00 60.10 C ATOM 1012 CD1 PHE A 67 7.823 -2.798 6.313 1.00 54.53 C ATOM 1013 CD2 PHE A 67 8.883 -3.349 8.380 1.00 4.24 C ATOM 1014 CE1 PHE A 67 6.796 -3.673 6.605 1.00 73.12 C ATOM 1015 CE2 PHE A 67 7.856 -4.223 8.672 1.00 53.13 C ATOM 1016 CZ PHE A 67 6.814 -4.386 7.785 1.00 31.43 C ATOM 0 H PHE A 67 11.959 -0.357 6.249 1.00 51.12 H new ATOM 0 HA PHE A 67 11.587 -3.107 6.474 1.00 54.24 H new ATOM 0 HB2 PHE A 67 10.458 -1.334 7.815 1.00 11.32 H new ATOM 0 HB3 PHE A 67 9.593 -0.788 6.392 1.00 11.32 H new ATOM 0 HD1 PHE A 67 7.803 -2.241 5.388 1.00 54.53 H new ATOM 0 HD2 PHE A 67 9.696 -3.227 9.081 1.00 4.24 H new ATOM 0 HE1 PHE A 67 5.979 -3.799 5.910 1.00 73.12 H new ATOM 0 HE2 PHE A 67 7.869 -4.780 9.597 1.00 53.13 H new ATOM 0 HZ PHE A 67 6.012 -5.072 8.014 1.00 31.43 H new ATOM 1026 N THR A 68 10.076 -1.835 3.805 1.00 23.43 N ATOM 1027 CA THR A 68 9.423 -2.175 2.529 1.00 40.22 C ATOM 1028 C THR A 68 10.263 -3.154 1.703 1.00 42.45 C ATOM 1029 O THR A 68 9.761 -4.175 1.231 1.00 41.32 O ATOM 1030 CB THR A 68 9.151 -0.915 1.668 1.00 73.55 C ATOM 1031 OG1 THR A 68 10.381 -0.218 1.409 1.00 72.20 O ATOM 1032 CG2 THR A 68 8.165 0.020 2.363 1.00 43.52 C ATOM 0 H THR A 68 10.169 -0.833 3.970 1.00 23.43 H new ATOM 0 HA THR A 68 8.476 -2.644 2.794 1.00 40.22 H new ATOM 0 HB THR A 68 8.713 -1.239 0.724 1.00 73.55 H new ATOM 0 HG1 THR A 68 10.404 0.069 0.472 1.00 72.20 H new ATOM 0 HG21 THR A 68 7.992 0.896 1.738 1.00 43.52 H new ATOM 0 HG22 THR A 68 7.222 -0.502 2.526 1.00 43.52 H new ATOM 0 HG23 THR A 68 8.576 0.335 3.322 1.00 43.52 H new ATOM 1040 N LEU A 69 11.545 -2.839 1.543 1.00 65.02 N ATOM 1041 CA LEU A 69 12.464 -3.696 0.788 1.00 10.10 C ATOM 1042 C LEU A 69 12.558 -5.107 1.403 1.00 11.24 C ATOM 1043 O LEU A 69 12.419 -6.106 0.699 1.00 1.44 O ATOM 1044 CB LEU A 69 13.857 -3.050 0.717 1.00 72.42 C ATOM 1045 CG LEU A 69 14.892 -3.807 -0.135 1.00 32.30 C ATOM 1046 CD1 LEU A 69 14.408 -3.959 -1.575 1.00 25.02 C ATOM 1047 CD2 LEU A 69 16.244 -3.098 -0.098 1.00 52.23 C ATOM 0 H LEU A 69 11.975 -1.997 1.925 1.00 65.02 H new ATOM 0 HA LEU A 69 12.068 -3.801 -0.222 1.00 10.10 H new ATOM 0 HB2 LEU A 69 13.751 -2.041 0.318 1.00 72.42 H new ATOM 0 HB3 LEU A 69 14.246 -2.953 1.730 1.00 72.42 H new ATOM 0 HG LEU A 69 15.013 -4.803 0.290 1.00 32.30 H new ATOM 0 HD11 LEU A 69 15.157 -4.497 -2.156 1.00 25.02 H new ATOM 0 HD12 LEU A 69 13.471 -4.516 -1.587 1.00 25.02 H new ATOM 0 HD13 LEU A 69 14.250 -2.973 -2.012 1.00 25.02 H new ATOM 0 HD21 LEU A 69 16.961 -3.649 -0.706 1.00 52.23 H new ATOM 0 HD22 LEU A 69 16.136 -2.087 -0.492 1.00 52.23 H new ATOM 0 HD23 LEU A 69 16.602 -3.050 0.930 1.00 52.23 H new ATOM 1059 N LYS A 70 12.783 -5.183 2.720 1.00 33.43 N ATOM 1060 CA LYS A 70 12.886 -6.479 3.420 1.00 31.10 C ATOM 1061 C LYS A 70 11.595 -7.310 3.301 1.00 43.13 C ATOM 1062 O LYS A 70 11.641 -8.501 2.983 1.00 31.22 O ATOM 1063 CB LYS A 70 13.249 -6.266 4.899 1.00 54.12 C ATOM 1064 CG LYS A 70 14.738 -6.024 5.138 1.00 62.12 C ATOM 1065 CD LYS A 70 15.047 -5.661 6.594 1.00 1.41 C ATOM 1066 CE LYS A 70 14.500 -6.687 7.589 1.00 41.53 C ATOM 1067 NZ LYS A 70 15.031 -8.058 7.357 1.00 43.15 N ATOM 0 H LYS A 70 12.897 -4.369 3.324 1.00 33.43 H new ATOM 0 HA LYS A 70 13.682 -7.043 2.934 1.00 31.10 H new ATOM 0 HB2 LYS A 70 12.686 -5.416 5.283 1.00 54.12 H new ATOM 0 HB3 LYS A 70 12.936 -7.140 5.470 1.00 54.12 H new ATOM 0 HG2 LYS A 70 15.297 -6.919 4.864 1.00 62.12 H new ATOM 0 HG3 LYS A 70 15.082 -5.221 4.486 1.00 62.12 H new ATOM 0 HD2 LYS A 70 16.126 -5.577 6.722 1.00 1.41 H new ATOM 0 HD3 LYS A 70 14.623 -4.682 6.818 1.00 1.41 H new ATOM 0 HE2 LYS A 70 14.750 -6.372 8.602 1.00 41.53 H new ATOM 0 HE3 LYS A 70 13.412 -6.708 7.521 1.00 41.53 H new ATOM 0 HZ1 LYS A 70 14.640 -8.707 8.070 1.00 43.15 H new ATOM 0 HZ2 LYS A 70 14.756 -8.381 6.407 1.00 43.15 H new ATOM 0 HZ3 LYS A 70 16.068 -8.046 7.432 1.00 43.15 H new ATOM 1081 N LEU A 71 10.447 -6.681 3.555 1.00 2.33 N ATOM 1082 CA LEU A 71 9.152 -7.365 3.453 1.00 2.22 C ATOM 1083 C LEU A 71 8.908 -7.858 2.019 1.00 11.34 C ATOM 1084 O LEU A 71 8.539 -9.012 1.794 1.00 33.32 O ATOM 1085 CB LEU A 71 8.011 -6.430 3.886 1.00 23.41 C ATOM 1086 CG LEU A 71 6.613 -7.072 3.921 1.00 14.43 C ATOM 1087 CD1 LEU A 71 6.567 -8.204 4.945 1.00 53.33 C ATOM 1088 CD2 LEU A 71 5.541 -6.027 4.221 1.00 41.20 C ATOM 0 H LEU A 71 10.385 -5.701 3.832 1.00 2.33 H new ATOM 0 HA LEU A 71 9.174 -8.227 4.120 1.00 2.22 H new ATOM 0 HB2 LEU A 71 8.239 -6.041 4.878 1.00 23.41 H new ATOM 0 HB3 LEU A 71 7.984 -5.577 3.207 1.00 23.41 H new ATOM 0 HG LEU A 71 6.407 -7.492 2.936 1.00 14.43 H new ATOM 0 HD11 LEU A 71 5.570 -8.645 4.955 1.00 53.33 H new ATOM 0 HD12 LEU A 71 7.299 -8.966 4.678 1.00 53.33 H new ATOM 0 HD13 LEU A 71 6.799 -7.809 5.934 1.00 53.33 H new ATOM 0 HD21 LEU A 71 4.562 -6.505 4.240 1.00 41.20 H new ATOM 0 HD22 LEU A 71 5.740 -5.569 5.190 1.00 41.20 H new ATOM 0 HD23 LEU A 71 5.554 -5.259 3.447 1.00 41.20 H new ATOM 1100 N ALA A 72 9.132 -6.975 1.052 1.00 74.20 N ATOM 1101 CA ALA A 72 8.955 -7.311 -0.360 1.00 61.50 C ATOM 1102 C ALA A 72 9.925 -8.414 -0.816 1.00 21.53 C ATOM 1103 O ALA A 72 9.580 -9.237 -1.664 1.00 11.21 O ATOM 1104 CB ALA A 72 9.127 -6.068 -1.217 1.00 72.32 C ATOM 0 H ALA A 72 9.438 -6.016 1.219 1.00 74.20 H new ATOM 0 HA ALA A 72 7.943 -7.698 -0.483 1.00 61.50 H new ATOM 0 HB1 ALA A 72 8.993 -6.329 -2.267 1.00 72.32 H new ATOM 0 HB2 ALA A 72 8.385 -5.323 -0.931 1.00 72.32 H new ATOM 0 HB3 ALA A 72 10.127 -5.659 -1.069 1.00 72.32 H new ATOM 1110 N ARG A 73 11.138 -8.421 -0.253 1.00 65.13 N ATOM 1111 CA ARG A 73 12.138 -9.458 -0.560 1.00 63.35 C ATOM 1112 C ARG A 73 11.641 -10.858 -0.174 1.00 31.30 C ATOM 1113 O ARG A 73 11.668 -11.785 -0.987 1.00 24.03 O ATOM 1114 CB ARG A 73 13.459 -9.169 0.169 1.00 43.55 C ATOM 1115 CG ARG A 73 14.352 -8.143 -0.523 1.00 22.13 C ATOM 1116 CD ARG A 73 15.586 -7.821 0.317 1.00 10.44 C ATOM 1117 NE ARG A 73 16.267 -9.033 0.782 1.00 51.55 N ATOM 1118 CZ ARG A 73 17.181 -9.056 1.718 1.00 65.50 C ATOM 1119 NH1 ARG A 73 17.618 -7.957 2.247 1.00 41.53 N ATOM 1120 NH2 ARG A 73 17.670 -10.187 2.113 1.00 45.10 N ATOM 0 H ARG A 73 11.454 -7.721 0.418 1.00 65.13 H new ATOM 0 HA ARG A 73 12.303 -9.435 -1.637 1.00 63.35 H new ATOM 0 HB2 ARG A 73 13.234 -8.816 1.176 1.00 43.55 H new ATOM 0 HB3 ARG A 73 14.013 -10.102 0.274 1.00 43.55 H new ATOM 0 HG2 ARG A 73 14.662 -8.525 -1.496 1.00 22.13 H new ATOM 0 HG3 ARG A 73 13.786 -7.230 -0.705 1.00 22.13 H new ATOM 0 HD2 ARG A 73 16.278 -7.220 -0.272 1.00 10.44 H new ATOM 0 HD3 ARG A 73 15.292 -7.218 1.176 1.00 10.44 H new ATOM 0 HE ARG A 73 16.011 -9.919 0.346 1.00 51.55 H new ATOM 0 HH11 ARG A 73 17.249 -7.059 1.935 1.00 41.53 H new ATOM 0 HH12 ARG A 73 18.331 -7.990 2.976 1.00 41.53 H new ATOM 0 HH21 ARG A 73 17.343 -11.058 1.695 1.00 45.10 H new ATOM 0 HH22 ARG A 73 18.383 -10.208 2.842 1.00 45.10 H new ATOM 1134 N GLN A 74 11.196 -11.010 1.071 1.00 2.12 N ATOM 1135 CA GLN A 74 10.721 -12.309 1.567 1.00 51.42 C ATOM 1136 C GLN A 74 9.362 -12.692 0.954 1.00 22.42 C ATOM 1137 O GLN A 74 8.988 -13.866 0.942 1.00 64.31 O ATOM 1138 CB GLN A 74 10.632 -12.306 3.101 1.00 23.43 C ATOM 1139 CG GLN A 74 9.637 -11.302 3.666 1.00 25.33 C ATOM 1140 CD GLN A 74 9.506 -11.397 5.173 1.00 30.12 C ATOM 1141 OE1 GLN A 74 8.705 -12.168 5.690 1.00 50.44 O ATOM 1142 NE2 GLN A 74 10.290 -10.622 5.890 1.00 1.14 N ATOM 0 H GLN A 74 11.152 -10.256 1.756 1.00 2.12 H new ATOM 0 HA GLN A 74 11.448 -13.060 1.258 1.00 51.42 H new ATOM 0 HB2 GLN A 74 10.356 -13.305 3.440 1.00 23.43 H new ATOM 0 HB3 GLN A 74 11.619 -12.092 3.511 1.00 23.43 H new ATOM 0 HG2 GLN A 74 9.950 -10.294 3.395 1.00 25.33 H new ATOM 0 HG3 GLN A 74 8.661 -11.466 3.209 1.00 25.33 H new ATOM 0 HE21 GLN A 74 10.945 -9.992 5.428 1.00 1.14 H new ATOM 0 HE22 GLN A 74 10.243 -10.651 6.908 1.00 1.14 H new ATOM 1151 N TRP A 75 8.617 -11.698 0.466 1.00 31.34 N ATOM 1152 CA TRP A 75 7.355 -11.951 -0.246 1.00 44.13 C ATOM 1153 C TRP A 75 7.583 -12.096 -1.762 1.00 43.13 C ATOM 1154 O TRP A 75 6.719 -12.597 -2.479 1.00 73.13 O ATOM 1155 CB TRP A 75 6.353 -10.811 0.016 1.00 64.43 C ATOM 1156 CG TRP A 75 5.804 -10.770 1.417 1.00 71.14 C ATOM 1157 CD1 TRP A 75 6.334 -11.349 2.536 1.00 32.12 C ATOM 1158 CD2 TRP A 75 4.607 -10.105 1.843 1.00 14.21 C ATOM 1159 NE1 TRP A 75 5.543 -11.083 3.625 1.00 71.43 N ATOM 1160 CE2 TRP A 75 4.478 -10.324 3.226 1.00 20.51 C ATOM 1161 CE3 TRP A 75 3.633 -9.342 1.190 1.00 21.35 C ATOM 1162 CZ2 TRP A 75 3.417 -9.814 3.965 1.00 13.35 C ATOM 1163 CZ3 TRP A 75 2.579 -8.838 1.926 1.00 11.12 C ATOM 1164 CH2 TRP A 75 2.480 -9.076 3.301 1.00 62.13 C ATOM 0 H TRP A 75 8.862 -10.711 0.549 1.00 31.34 H new ATOM 0 HA TRP A 75 6.948 -12.888 0.133 1.00 44.13 H new ATOM 0 HB2 TRP A 75 6.841 -9.860 -0.197 1.00 64.43 H new ATOM 0 HB3 TRP A 75 5.522 -10.907 -0.683 1.00 64.43 H new ATOM 0 HD1 TRP A 75 7.243 -11.931 2.560 1.00 32.12 H new ATOM 0 HE1 TRP A 75 5.721 -11.400 4.578 1.00 71.43 H new ATOM 0 HE3 TRP A 75 3.704 -9.151 0.129 1.00 21.35 H new ATOM 0 HZ2 TRP A 75 3.337 -9.995 5.027 1.00 13.35 H new ATOM 0 HZ3 TRP A 75 1.819 -8.251 1.432 1.00 11.12 H new ATOM 0 HH2 TRP A 75 1.644 -8.667 3.849 1.00 62.13 H new ATOM 1175 N GLY A 76 8.749 -11.660 -2.239 1.00 44.35 N ATOM 1176 CA GLY A 76 9.057 -11.717 -3.669 1.00 74.44 C ATOM 1177 C GLY A 76 8.115 -10.866 -4.524 1.00 62.40 C ATOM 1178 O GLY A 76 7.707 -11.279 -5.612 1.00 41.14 O ATOM 0 H GLY A 76 9.492 -11.266 -1.661 1.00 44.35 H new ATOM 0 HA2 GLY A 76 10.082 -11.382 -3.827 1.00 74.44 H new ATOM 0 HA3 GLY A 76 9.005 -12.753 -4.004 1.00 74.44 H new ATOM 1182 N VAL A 77 7.770 -9.669 -4.037 1.00 32.23 N ATOM 1183 CA VAL A 77 6.799 -8.803 -4.728 1.00 73.31 C ATOM 1184 C VAL A 77 7.380 -7.411 -5.063 1.00 3.41 C ATOM 1185 O VAL A 77 7.885 -7.191 -6.162 1.00 11.52 O ATOM 1186 CB VAL A 77 5.500 -8.635 -3.892 1.00 4.53 C ATOM 1187 CG1 VAL A 77 4.486 -7.753 -4.623 1.00 2.12 C ATOM 1188 CG2 VAL A 77 4.890 -9.996 -3.557 1.00 31.35 C ATOM 0 H VAL A 77 8.144 -9.277 -3.173 1.00 32.23 H new ATOM 0 HA VAL A 77 6.562 -9.303 -5.667 1.00 73.31 H new ATOM 0 HB VAL A 77 5.765 -8.140 -2.958 1.00 4.53 H new ATOM 0 HG11 VAL A 77 3.587 -7.652 -4.015 1.00 2.12 H new ATOM 0 HG12 VAL A 77 4.919 -6.768 -4.796 1.00 2.12 H new ATOM 0 HG13 VAL A 77 4.229 -8.210 -5.579 1.00 2.12 H new ATOM 0 HG21 VAL A 77 3.982 -9.853 -2.971 1.00 31.35 H new ATOM 0 HG22 VAL A 77 4.648 -10.523 -4.480 1.00 31.35 H new ATOM 0 HG23 VAL A 77 5.605 -10.583 -2.981 1.00 31.35 H new ATOM 1198 N GLY A 78 7.322 -6.479 -4.110 1.00 34.13 N ATOM 1199 CA GLY A 78 7.715 -5.093 -4.378 1.00 75.42 C ATOM 1200 C GLY A 78 9.226 -4.862 -4.348 1.00 1.13 C ATOM 1201 O GLY A 78 9.730 -4.087 -3.536 1.00 41.22 O ATOM 0 H GLY A 78 7.010 -6.655 -3.155 1.00 34.13 H new ATOM 0 HA2 GLY A 78 7.332 -4.799 -5.355 1.00 75.42 H new ATOM 0 HA3 GLY A 78 7.243 -4.443 -3.642 1.00 75.42 H new ATOM 1205 N ASN A 79 9.955 -5.538 -5.226 1.00 13.04 N ATOM 1206 CA ASN A 79 11.407 -5.363 -5.324 1.00 63.05 C ATOM 1207 C ASN A 79 11.788 -4.700 -6.650 1.00 4.54 C ATOM 1208 O ASN A 79 11.324 -5.113 -7.707 1.00 64.01 O ATOM 1209 CB ASN A 79 12.125 -6.711 -5.190 1.00 1.15 C ATOM 1210 CG ASN A 79 12.025 -7.306 -3.796 1.00 41.22 C ATOM 1211 OD1 ASN A 79 12.026 -8.519 -3.630 1.00 33.34 O ATOM 1212 ND2 ASN A 79 11.951 -6.465 -2.780 1.00 20.05 N ATOM 0 H ASN A 79 9.568 -6.215 -5.884 1.00 13.04 H new ATOM 0 HA ASN A 79 11.721 -4.714 -4.507 1.00 63.05 H new ATOM 0 HB2 ASN A 79 11.703 -7.413 -5.909 1.00 1.15 H new ATOM 0 HB3 ASN A 79 13.176 -6.583 -5.449 1.00 1.15 H new ATOM 0 HD21 ASN A 79 11.893 -6.821 -1.826 1.00 20.05 H new ATOM 0 HD22 ASN A 79 11.952 -5.459 -2.949 1.00 20.05 H new ATOM 1219 N GLU A 80 12.657 -3.692 -6.575 1.00 1.34 N ATOM 1220 CA GLU A 80 13.101 -2.914 -7.748 1.00 5.32 C ATOM 1221 C GLU A 80 13.480 -3.798 -8.959 1.00 20.41 C ATOM 1222 O GLU A 80 13.372 -3.367 -10.107 1.00 25.34 O ATOM 1223 CB GLU A 80 14.301 -2.037 -7.355 1.00 51.45 C ATOM 1224 CG GLU A 80 15.502 -2.832 -6.842 1.00 64.43 C ATOM 1225 CD GLU A 80 16.688 -1.954 -6.469 1.00 2.33 C ATOM 1226 OE1 GLU A 80 17.357 -1.433 -7.387 1.00 3.32 O ATOM 1227 OE2 GLU A 80 16.959 -1.787 -5.258 1.00 54.22 O ATOM 0 H GLU A 80 13.079 -3.385 -5.698 1.00 1.34 H new ATOM 0 HA GLU A 80 12.257 -2.299 -8.059 1.00 5.32 H new ATOM 0 HB2 GLU A 80 14.608 -1.449 -8.220 1.00 51.45 H new ATOM 0 HB3 GLU A 80 13.988 -1.332 -6.585 1.00 51.45 H new ATOM 0 HG2 GLU A 80 15.200 -3.412 -5.970 1.00 64.43 H new ATOM 0 HG3 GLU A 80 15.812 -3.544 -7.607 1.00 64.43 H new ATOM 1234 N LYS A 81 13.909 -5.030 -8.694 1.00 31.31 N ATOM 1235 CA LYS A 81 14.381 -5.942 -9.750 1.00 61.22 C ATOM 1236 C LYS A 81 13.363 -7.058 -10.064 1.00 72.02 C ATOM 1237 O LYS A 81 13.549 -7.816 -11.017 1.00 43.14 O ATOM 1238 CB LYS A 81 15.746 -6.556 -9.374 1.00 71.14 C ATOM 1239 CG LYS A 81 15.769 -7.306 -8.041 1.00 54.22 C ATOM 1240 CD LYS A 81 15.794 -6.357 -6.845 1.00 53.35 C ATOM 1241 CE LYS A 81 15.652 -7.101 -5.526 1.00 41.41 C ATOM 1242 NZ LYS A 81 16.815 -7.985 -5.249 1.00 62.14 N ATOM 0 H LYS A 81 13.942 -5.427 -7.755 1.00 31.31 H new ATOM 0 HA LYS A 81 14.495 -5.343 -10.653 1.00 61.22 H new ATOM 0 HB2 LYS A 81 16.050 -7.241 -10.165 1.00 71.14 H new ATOM 0 HB3 LYS A 81 16.489 -5.759 -9.339 1.00 71.14 H new ATOM 0 HG2 LYS A 81 14.892 -7.950 -7.973 1.00 54.22 H new ATOM 0 HG3 LYS A 81 16.644 -7.955 -8.006 1.00 54.22 H new ATOM 0 HD2 LYS A 81 16.729 -5.796 -6.846 1.00 53.35 H new ATOM 0 HD3 LYS A 81 14.987 -5.631 -6.941 1.00 53.35 H new ATOM 0 HE2 LYS A 81 15.545 -6.381 -4.715 1.00 41.41 H new ATOM 0 HE3 LYS A 81 14.741 -7.698 -5.545 1.00 41.41 H new ATOM 0 HZ1 LYS A 81 16.689 -8.445 -4.325 1.00 62.14 H new ATOM 0 HZ2 LYS A 81 16.884 -8.711 -5.990 1.00 62.14 H new ATOM 0 HZ3 LYS A 81 17.687 -7.418 -5.238 1.00 62.14 H new ATOM 1256 N ASN A 82 12.297 -7.162 -9.270 1.00 51.42 N ATOM 1257 CA ASN A 82 11.218 -8.127 -9.546 1.00 72.03 C ATOM 1258 C ASN A 82 10.321 -7.593 -10.665 1.00 63.13 C ATOM 1259 O ASN A 82 10.322 -6.405 -10.941 1.00 40.52 O ATOM 1260 CB ASN A 82 10.378 -8.375 -8.287 1.00 60.13 C ATOM 1261 CG ASN A 82 9.420 -9.545 -8.442 1.00 45.51 C ATOM 1262 OD1 ASN A 82 9.690 -10.486 -9.181 1.00 4.52 O ATOM 1263 ND2 ASN A 82 8.295 -9.488 -7.761 1.00 71.30 N ATOM 0 H ASN A 82 12.152 -6.596 -8.434 1.00 51.42 H new ATOM 0 HA ASN A 82 11.668 -9.070 -9.856 1.00 72.03 H new ATOM 0 HB2 ASN A 82 11.042 -8.564 -7.444 1.00 60.13 H new ATOM 0 HB3 ASN A 82 9.811 -7.475 -8.051 1.00 60.13 H new ATOM 0 HD21 ASN A 82 7.613 -10.243 -7.838 1.00 71.30 H new ATOM 0 HD22 ASN A 82 8.105 -8.689 -7.156 1.00 71.30 H new ATOM 1270 N ASN A 83 9.550 -8.455 -11.310 1.00 1.35 N ATOM 1271 CA ASN A 83 8.696 -8.012 -12.415 1.00 43.22 C ATOM 1272 C ASN A 83 7.428 -7.272 -11.924 1.00 61.43 C ATOM 1273 O ASN A 83 7.515 -6.151 -11.417 1.00 62.42 O ATOM 1274 CB ASN A 83 8.354 -9.187 -13.340 1.00 3.25 C ATOM 1275 CG ASN A 83 7.979 -10.466 -12.596 1.00 22.12 C ATOM 1276 OD1 ASN A 83 8.187 -11.565 -13.093 1.00 62.21 O ATOM 1277 ND2 ASN A 83 7.429 -10.339 -11.402 1.00 31.14 N ATOM 0 H ASN A 83 9.494 -9.451 -11.097 1.00 1.35 H new ATOM 0 HA ASN A 83 9.263 -7.283 -12.994 1.00 43.22 H new ATOM 0 HB2 ASN A 83 7.526 -8.898 -13.988 1.00 3.25 H new ATOM 0 HB3 ASN A 83 9.209 -9.390 -13.985 1.00 3.25 H new ATOM 0 HD21 ASN A 83 7.166 -11.169 -10.871 1.00 31.14 H new ATOM 0 HD22 ASN A 83 7.267 -9.411 -11.011 1.00 31.14 H new ATOM 1284 N ASN A 84 6.252 -7.886 -12.056 1.00 13.24 N ATOM 1285 CA ASN A 84 4.996 -7.214 -11.705 1.00 32.11 C ATOM 1286 C ASN A 84 4.728 -7.264 -10.196 1.00 72.03 C ATOM 1287 O ASN A 84 3.942 -8.083 -9.720 1.00 63.22 O ATOM 1288 CB ASN A 84 3.821 -7.826 -12.477 1.00 71.52 C ATOM 1289 CG ASN A 84 3.930 -7.595 -13.971 1.00 55.03 C ATOM 1290 OD1 ASN A 84 5.022 -7.542 -14.531 1.00 71.31 O ATOM 1291 ND2 ASN A 84 2.800 -7.451 -14.632 1.00 25.03 N ATOM 0 H ASN A 84 6.140 -8.840 -12.400 1.00 13.24 H new ATOM 0 HA ASN A 84 5.096 -6.166 -11.989 1.00 32.11 H new ATOM 0 HB2 ASN A 84 3.778 -8.897 -12.280 1.00 71.52 H new ATOM 0 HB3 ASN A 84 2.887 -7.397 -12.113 1.00 71.52 H new ATOM 0 HD21 ASN A 84 2.815 -7.290 -15.639 1.00 25.03 H new ATOM 0 HD22 ASN A 84 1.910 -7.500 -14.137 1.00 25.03 H new ATOM 1298 N GLY A 85 5.398 -6.389 -9.451 1.00 34.51 N ATOM 1299 CA GLY A 85 5.220 -6.337 -8.004 1.00 15.42 C ATOM 1300 C GLY A 85 5.117 -4.915 -7.458 1.00 54.24 C ATOM 1301 O GLY A 85 5.824 -4.011 -7.912 1.00 64.13 O ATOM 0 H GLY A 85 6.064 -5.711 -9.822 1.00 34.51 H new ATOM 0 HA2 GLY A 85 4.318 -6.888 -7.736 1.00 15.42 H new ATOM 0 HA3 GLY A 85 6.057 -6.843 -7.524 1.00 15.42 H new ATOM 1305 N LEU A 86 4.231 -4.722 -6.484 1.00 44.14 N ATOM 1306 CA LEU A 86 4.042 -3.427 -5.827 1.00 33.02 C ATOM 1307 C LEU A 86 3.617 -3.621 -4.364 1.00 64.10 C ATOM 1308 O LEU A 86 2.632 -4.301 -4.079 1.00 74.40 O ATOM 1309 CB LEU A 86 2.990 -2.593 -6.574 1.00 15.34 C ATOM 1310 CG LEU A 86 2.639 -1.237 -5.936 1.00 61.22 C ATOM 1311 CD1 LEU A 86 3.882 -0.365 -5.779 1.00 53.50 C ATOM 1312 CD2 LEU A 86 1.578 -0.515 -6.764 1.00 40.23 C ATOM 0 H LEU A 86 3.622 -5.458 -6.126 1.00 44.14 H new ATOM 0 HA LEU A 86 4.992 -2.893 -5.847 1.00 33.02 H new ATOM 0 HB2 LEU A 86 3.347 -2.415 -7.588 1.00 15.34 H new ATOM 0 HB3 LEU A 86 2.077 -3.183 -6.656 1.00 15.34 H new ATOM 0 HG LEU A 86 2.234 -1.427 -4.942 1.00 61.22 H new ATOM 0 HD11 LEU A 86 3.604 0.587 -5.326 1.00 53.50 H new ATOM 0 HD12 LEU A 86 4.605 -0.873 -5.141 1.00 53.50 H new ATOM 0 HD13 LEU A 86 4.326 -0.185 -6.758 1.00 53.50 H new ATOM 0 HD21 LEU A 86 1.342 0.442 -6.298 1.00 40.23 H new ATOM 0 HD22 LEU A 86 1.957 -0.344 -7.772 1.00 40.23 H new ATOM 0 HD23 LEU A 86 0.677 -1.126 -6.814 1.00 40.23 H new ATOM 1324 N LEU A 87 4.367 -3.029 -3.442 1.00 61.43 N ATOM 1325 CA LEU A 87 4.069 -3.149 -2.012 1.00 31.21 C ATOM 1326 C LEU A 87 3.685 -1.793 -1.401 1.00 0.45 C ATOM 1327 O LEU A 87 4.357 -0.789 -1.629 1.00 45.11 O ATOM 1328 CB LEU A 87 5.283 -3.733 -1.272 1.00 2.44 C ATOM 1329 CG LEU A 87 5.089 -3.961 0.239 1.00 1.13 C ATOM 1330 CD1 LEU A 87 3.971 -4.968 0.500 1.00 62.24 C ATOM 1331 CD2 LEU A 87 6.395 -4.417 0.888 1.00 52.33 C ATOM 0 H LEU A 87 5.187 -2.460 -3.655 1.00 61.43 H new ATOM 0 HA LEU A 87 3.217 -3.819 -1.901 1.00 31.21 H new ATOM 0 HB2 LEU A 87 5.546 -4.684 -1.735 1.00 2.44 H new ATOM 0 HB3 LEU A 87 6.131 -3.063 -1.415 1.00 2.44 H new ATOM 0 HG LEU A 87 4.798 -3.012 0.690 1.00 1.13 H new ATOM 0 HD11 LEU A 87 3.854 -5.111 1.574 1.00 62.24 H new ATOM 0 HD12 LEU A 87 3.038 -4.592 0.080 1.00 62.24 H new ATOM 0 HD13 LEU A 87 4.222 -5.920 0.032 1.00 62.24 H new ATOM 0 HD21 LEU A 87 6.236 -4.572 1.955 1.00 52.33 H new ATOM 0 HD22 LEU A 87 6.722 -5.350 0.430 1.00 52.33 H new ATOM 0 HD23 LEU A 87 7.160 -3.654 0.742 1.00 52.33 H new ATOM 1343 N LEU A 88 2.598 -1.780 -0.634 1.00 55.03 N ATOM 1344 CA LEU A 88 2.167 -0.593 0.114 1.00 50.21 C ATOM 1345 C LEU A 88 2.075 -0.916 1.611 1.00 40.32 C ATOM 1346 O LEU A 88 1.365 -1.836 2.006 1.00 54.51 O ATOM 1347 CB LEU A 88 0.802 -0.102 -0.398 1.00 52.44 C ATOM 1348 CG LEU A 88 0.164 1.044 0.411 1.00 32.32 C ATOM 1349 CD1 LEU A 88 1.054 2.287 0.407 1.00 13.11 C ATOM 1350 CD2 LEU A 88 -1.231 1.370 -0.124 1.00 42.32 C ATOM 0 H LEU A 88 1.989 -2.589 -0.511 1.00 55.03 H new ATOM 0 HA LEU A 88 2.904 0.196 -0.036 1.00 50.21 H new ATOM 0 HB2 LEU A 88 0.917 0.226 -1.431 1.00 52.44 H new ATOM 0 HB3 LEU A 88 0.112 -0.946 -0.407 1.00 52.44 H new ATOM 0 HG LEU A 88 0.065 0.711 1.444 1.00 32.32 H new ATOM 0 HD11 LEU A 88 0.577 3.078 0.986 1.00 13.11 H new ATOM 0 HD12 LEU A 88 2.020 2.045 0.851 1.00 13.11 H new ATOM 0 HD13 LEU A 88 1.201 2.626 -0.618 1.00 13.11 H new ATOM 0 HD21 LEU A 88 -1.664 2.182 0.461 1.00 42.32 H new ATOM 0 HD22 LEU A 88 -1.158 1.674 -1.168 1.00 42.32 H new ATOM 0 HD23 LEU A 88 -1.866 0.487 -0.046 1.00 42.32 H new ATOM 1362 N VAL A 89 2.795 -0.165 2.441 1.00 31.13 N ATOM 1363 CA VAL A 89 2.801 -0.415 3.891 1.00 31.51 C ATOM 1364 C VAL A 89 2.400 0.832 4.695 1.00 3.12 C ATOM 1365 O VAL A 89 2.977 1.905 4.523 1.00 41.41 O ATOM 1366 CB VAL A 89 4.193 -0.895 4.380 1.00 2.32 C ATOM 1367 CG1 VAL A 89 4.164 -1.205 5.878 1.00 43.22 C ATOM 1368 CG2 VAL A 89 4.664 -2.112 3.584 1.00 53.30 C ATOM 0 H VAL A 89 3.379 0.617 2.144 1.00 31.13 H new ATOM 0 HA VAL A 89 2.063 -1.199 4.063 1.00 31.51 H new ATOM 0 HB VAL A 89 4.905 -0.087 4.212 1.00 2.32 H new ATOM 0 HG11 VAL A 89 5.150 -1.540 6.199 1.00 43.22 H new ATOM 0 HG12 VAL A 89 3.888 -0.307 6.430 1.00 43.22 H new ATOM 0 HG13 VAL A 89 3.433 -1.990 6.073 1.00 43.22 H new ATOM 0 HG21 VAL A 89 5.642 -2.428 3.947 1.00 53.30 H new ATOM 0 HG22 VAL A 89 3.950 -2.926 3.708 1.00 53.30 H new ATOM 0 HG23 VAL A 89 4.736 -1.851 2.528 1.00 53.30 H new ATOM 1378 N LEU A 90 1.403 0.675 5.567 1.00 12.45 N ATOM 1379 CA LEU A 90 1.011 1.719 6.522 1.00 21.33 C ATOM 1380 C LEU A 90 1.528 1.391 7.930 1.00 1.11 C ATOM 1381 O LEU A 90 1.250 0.319 8.475 1.00 44.21 O ATOM 1382 CB LEU A 90 -0.519 1.873 6.566 1.00 72.52 C ATOM 1383 CG LEU A 90 -1.059 2.683 7.764 1.00 13.41 C ATOM 1384 CD1 LEU A 90 -0.657 4.151 7.685 1.00 0.44 C ATOM 1385 CD2 LEU A 90 -2.571 2.540 7.888 1.00 72.51 C ATOM 0 H LEU A 90 0.844 -0.176 5.633 1.00 12.45 H new ATOM 0 HA LEU A 90 1.455 2.656 6.187 1.00 21.33 H new ATOM 0 HB2 LEU A 90 -0.847 2.353 5.644 1.00 72.52 H new ATOM 0 HB3 LEU A 90 -0.969 0.880 6.586 1.00 72.52 H new ATOM 0 HG LEU A 90 -0.603 2.268 8.663 1.00 13.41 H new ATOM 0 HD11 LEU A 90 -1.057 4.685 8.547 1.00 0.44 H new ATOM 0 HD12 LEU A 90 0.430 4.231 7.682 1.00 0.44 H new ATOM 0 HD13 LEU A 90 -1.056 4.589 6.770 1.00 0.44 H new ATOM 0 HD21 LEU A 90 -2.923 3.121 8.740 1.00 72.51 H new ATOM 0 HD22 LEU A 90 -3.047 2.906 6.978 1.00 72.51 H new ATOM 0 HD23 LEU A 90 -2.826 1.491 8.034 1.00 72.51 H new ATOM 1397 N VAL A 91 2.272 2.323 8.520 1.00 45.45 N ATOM 1398 CA VAL A 91 2.788 2.151 9.880 1.00 11.40 C ATOM 1399 C VAL A 91 2.096 3.104 10.871 1.00 42.20 C ATOM 1400 O VAL A 91 2.455 4.277 10.971 1.00 14.22 O ATOM 1401 CB VAL A 91 4.318 2.381 9.932 1.00 24.24 C ATOM 1402 CG1 VAL A 91 4.849 2.184 11.347 1.00 14.22 C ATOM 1403 CG2 VAL A 91 5.034 1.455 8.953 1.00 50.23 C ATOM 0 H VAL A 91 2.532 3.206 8.080 1.00 45.45 H new ATOM 0 HA VAL A 91 2.571 1.123 10.172 1.00 11.40 H new ATOM 0 HB VAL A 91 4.517 3.411 9.637 1.00 24.24 H new ATOM 0 HG11 VAL A 91 5.926 2.351 11.358 1.00 14.22 H new ATOM 0 HG12 VAL A 91 4.365 2.893 12.019 1.00 14.22 H new ATOM 0 HG13 VAL A 91 4.636 1.167 11.677 1.00 14.22 H new ATOM 0 HG21 VAL A 91 6.108 1.632 9.004 1.00 50.23 H new ATOM 0 HG22 VAL A 91 4.824 0.418 9.214 1.00 50.23 H new ATOM 0 HG23 VAL A 91 4.682 1.653 7.941 1.00 50.23 H new ATOM 1413 N LEU A 92 1.107 2.585 11.602 1.00 22.15 N ATOM 1414 CA LEU A 92 0.380 3.366 12.619 1.00 45.44 C ATOM 1415 C LEU A 92 1.342 3.974 13.662 1.00 43.52 C ATOM 1416 O LEU A 92 1.090 5.051 14.208 1.00 21.31 O ATOM 1417 CB LEU A 92 -0.658 2.471 13.314 1.00 30.11 C ATOM 1418 CG LEU A 92 -1.453 3.125 14.460 1.00 14.24 C ATOM 1419 CD1 LEU A 92 -2.259 4.318 13.955 1.00 4.42 C ATOM 1420 CD2 LEU A 92 -2.365 2.102 15.135 1.00 10.43 C ATOM 0 H LEU A 92 0.786 1.621 11.511 1.00 22.15 H new ATOM 0 HA LEU A 92 -0.126 4.190 12.116 1.00 45.44 H new ATOM 0 HB2 LEU A 92 -1.365 2.118 12.563 1.00 30.11 H new ATOM 0 HB3 LEU A 92 -0.146 1.593 13.708 1.00 30.11 H new ATOM 0 HG LEU A 92 -0.741 3.490 15.200 1.00 14.24 H new ATOM 0 HD11 LEU A 92 -2.811 4.761 14.784 1.00 4.42 H new ATOM 0 HD12 LEU A 92 -1.583 5.060 13.531 1.00 4.42 H new ATOM 0 HD13 LEU A 92 -2.960 3.986 13.189 1.00 4.42 H new ATOM 0 HD21 LEU A 92 -2.918 2.584 15.942 1.00 10.43 H new ATOM 0 HD22 LEU A 92 -3.066 1.701 14.403 1.00 10.43 H new ATOM 0 HD23 LEU A 92 -1.762 1.290 15.542 1.00 10.43 H new ATOM 1432 N ASP A 93 2.444 3.270 13.914 1.00 34.21 N ATOM 1433 CA ASP A 93 3.482 3.706 14.862 1.00 75.40 C ATOM 1434 C ASP A 93 3.921 5.164 14.600 1.00 5.02 C ATOM 1435 O ASP A 93 3.977 5.986 15.517 1.00 61.11 O ATOM 1436 CB ASP A 93 4.687 2.763 14.730 1.00 61.51 C ATOM 1437 CG ASP A 93 5.686 2.886 15.867 1.00 33.21 C ATOM 1438 OD1 ASP A 93 6.470 3.852 15.874 1.00 54.21 O ATOM 1439 OD2 ASP A 93 5.707 1.987 16.735 1.00 14.32 O ATOM 0 H ASP A 93 2.648 2.376 13.467 1.00 34.21 H new ATOM 0 HA ASP A 93 3.074 3.668 15.872 1.00 75.40 H new ATOM 0 HB2 ASP A 93 4.329 1.735 14.683 1.00 61.51 H new ATOM 0 HB3 ASP A 93 5.195 2.967 13.788 1.00 61.51 H new ATOM 1444 N GLN A 94 4.201 5.477 13.335 1.00 14.13 N ATOM 1445 CA GLN A 94 4.730 6.795 12.952 1.00 72.21 C ATOM 1446 C GLN A 94 3.873 7.478 11.862 1.00 10.53 C ATOM 1447 O GLN A 94 4.237 8.541 11.354 1.00 34.14 O ATOM 1448 CB GLN A 94 6.185 6.633 12.480 1.00 54.34 C ATOM 1449 CG GLN A 94 6.370 5.567 11.402 1.00 54.30 C ATOM 1450 CD GLN A 94 7.830 5.235 11.135 1.00 5.43 C ATOM 1451 OE1 GLN A 94 8.476 5.845 10.296 1.00 22.24 O ATOM 1452 NE2 GLN A 94 8.370 4.279 11.864 1.00 14.12 N ATOM 0 H GLN A 94 4.071 4.836 12.552 1.00 14.13 H new ATOM 0 HA GLN A 94 4.693 7.445 13.826 1.00 72.21 H new ATOM 0 HB2 GLN A 94 6.541 7.589 12.097 1.00 54.34 H new ATOM 0 HB3 GLN A 94 6.809 6.381 13.337 1.00 54.34 H new ATOM 0 HG2 GLN A 94 5.847 4.660 11.703 1.00 54.30 H new ATOM 0 HG3 GLN A 94 5.907 5.910 10.477 1.00 54.30 H new ATOM 0 HE21 GLN A 94 7.807 3.786 12.557 1.00 14.12 H new ATOM 0 HE22 GLN A 94 9.351 4.032 11.735 1.00 14.12 H new ATOM 1461 N ARG A 95 2.737 6.862 11.527 1.00 74.14 N ATOM 1462 CA ARG A 95 1.793 7.388 10.518 1.00 15.04 C ATOM 1463 C ARG A 95 2.446 7.614 9.140 1.00 35.55 C ATOM 1464 O ARG A 95 2.025 8.485 8.377 1.00 42.22 O ATOM 1465 CB ARG A 95 1.121 8.683 11.014 1.00 4.11 C ATOM 1466 CG ARG A 95 0.252 8.483 12.255 1.00 23.53 C ATOM 1467 CD ARG A 95 -0.773 9.602 12.424 1.00 54.20 C ATOM 1468 NE ARG A 95 -0.156 10.924 12.548 1.00 4.44 N ATOM 1469 CZ ARG A 95 -0.796 11.994 12.942 1.00 45.15 C ATOM 1470 NH1 ARG A 95 -2.048 11.936 13.263 1.00 74.22 N ATOM 1471 NH2 ARG A 95 -0.180 13.126 13.015 1.00 23.44 N ATOM 0 H ARG A 95 2.438 5.981 11.945 1.00 74.14 H new ATOM 0 HA ARG A 95 1.031 6.620 10.384 1.00 15.04 H new ATOM 0 HB2 ARG A 95 1.892 9.421 11.235 1.00 4.11 H new ATOM 0 HB3 ARG A 95 0.507 9.094 10.213 1.00 4.11 H new ATOM 0 HG2 ARG A 95 -0.265 7.526 12.185 1.00 23.53 H new ATOM 0 HG3 ARG A 95 0.888 8.438 13.139 1.00 23.53 H new ATOM 0 HD2 ARG A 95 -1.449 9.601 11.569 1.00 54.20 H new ATOM 0 HD3 ARG A 95 -1.377 9.404 13.309 1.00 54.20 H new ATOM 0 HE ARG A 95 0.832 11.016 12.313 1.00 4.44 H new ATOM 0 HH11 ARG A 95 -2.547 11.048 13.210 1.00 74.22 H new ATOM 0 HH12 ARG A 95 -2.536 12.778 13.569 1.00 74.22 H new ATOM 0 HH21 ARG A 95 0.807 13.187 12.765 1.00 23.44 H new ATOM 0 HH22 ARG A 95 -0.680 13.960 13.322 1.00 23.44 H new ATOM 1485 N ARG A 96 3.448 6.805 8.808 1.00 14.41 N ATOM 1486 CA ARG A 96 4.103 6.888 7.495 1.00 63.53 C ATOM 1487 C ARG A 96 3.722 5.709 6.598 1.00 54.40 C ATOM 1488 O ARG A 96 3.458 4.602 7.075 1.00 34.53 O ATOM 1489 CB ARG A 96 5.626 6.947 7.647 1.00 71.33 C ATOM 1490 CG ARG A 96 6.126 8.216 8.318 1.00 52.12 C ATOM 1491 CD ARG A 96 7.643 8.219 8.443 1.00 51.14 C ATOM 1492 NE ARG A 96 8.136 9.364 9.199 1.00 33.32 N ATOM 1493 CZ ARG A 96 9.332 9.866 9.064 1.00 2.41 C ATOM 1494 NH1 ARG A 96 10.152 9.392 8.181 1.00 22.34 N ATOM 1495 NH2 ARG A 96 9.706 10.853 9.806 1.00 65.23 N ATOM 0 H ARG A 96 3.827 6.085 9.423 1.00 14.41 H new ATOM 0 HA ARG A 96 3.754 7.806 7.022 1.00 63.53 H new ATOM 0 HB2 ARG A 96 5.958 6.086 8.227 1.00 71.33 H new ATOM 0 HB3 ARG A 96 6.084 6.863 6.661 1.00 71.33 H new ATOM 0 HG2 ARG A 96 5.805 9.084 7.742 1.00 52.12 H new ATOM 0 HG3 ARG A 96 5.678 8.307 9.307 1.00 52.12 H new ATOM 0 HD2 ARG A 96 7.967 7.299 8.930 1.00 51.14 H new ATOM 0 HD3 ARG A 96 8.087 8.226 7.448 1.00 51.14 H new ATOM 0 HE ARG A 96 7.507 9.799 9.874 1.00 33.32 H new ATOM 0 HH11 ARG A 96 9.865 8.618 7.582 1.00 22.34 H new ATOM 0 HH12 ARG A 96 11.085 9.793 8.084 1.00 22.34 H new ATOM 0 HH21 ARG A 96 9.066 11.241 10.499 1.00 65.23 H new ATOM 0 HH22 ARG A 96 10.642 11.245 9.700 1.00 65.23 H new ATOM 1509 N VAL A 97 3.696 5.963 5.292 1.00 43.31 N ATOM 1510 CA VAL A 97 3.371 4.935 4.291 1.00 13.33 C ATOM 1511 C VAL A 97 4.284 5.053 3.056 1.00 32.10 C ATOM 1512 O VAL A 97 4.903 6.097 2.824 1.00 11.13 O ATOM 1513 CB VAL A 97 1.888 5.021 3.831 1.00 42.13 C ATOM 1514 CG1 VAL A 97 0.949 5.075 5.023 1.00 41.42 C ATOM 1515 CG2 VAL A 97 1.660 6.217 2.906 1.00 32.05 C ATOM 0 H VAL A 97 3.898 6.880 4.893 1.00 43.31 H new ATOM 0 HA VAL A 97 3.533 3.972 4.775 1.00 13.33 H new ATOM 0 HB VAL A 97 1.667 4.116 3.266 1.00 42.13 H new ATOM 0 HG11 VAL A 97 -0.081 5.135 4.672 1.00 41.42 H new ATOM 0 HG12 VAL A 97 1.075 4.176 5.627 1.00 41.42 H new ATOM 0 HG13 VAL A 97 1.178 5.953 5.627 1.00 41.42 H new ATOM 0 HG21 VAL A 97 0.614 6.248 2.603 1.00 32.05 H new ATOM 0 HG22 VAL A 97 1.913 7.137 3.432 1.00 32.05 H new ATOM 0 HG23 VAL A 97 2.291 6.119 2.023 1.00 32.05 H new ATOM 1525 N ARG A 98 4.372 3.982 2.266 1.00 22.44 N ATOM 1526 CA ARG A 98 5.176 4.003 1.034 1.00 33.53 C ATOM 1527 C ARG A 98 4.776 2.892 0.046 1.00 64.14 C ATOM 1528 O ARG A 98 4.391 1.795 0.450 1.00 72.53 O ATOM 1529 CB ARG A 98 6.679 3.884 1.360 1.00 64.14 C ATOM 1530 CG ARG A 98 7.553 3.733 0.119 1.00 73.34 C ATOM 1531 CD ARG A 98 9.042 3.750 0.432 1.00 74.35 C ATOM 1532 NE ARG A 98 9.829 3.333 -0.728 1.00 5.42 N ATOM 1533 CZ ARG A 98 10.162 4.111 -1.723 1.00 10.30 C ATOM 1534 NH1 ARG A 98 9.885 5.377 -1.708 1.00 34.52 N ATOM 1535 NH2 ARG A 98 10.790 3.619 -2.737 1.00 44.11 N ATOM 0 H ARG A 98 3.903 3.095 2.451 1.00 22.44 H new ATOM 0 HA ARG A 98 4.978 4.961 0.554 1.00 33.53 H new ATOM 0 HB2 ARG A 98 6.995 4.768 1.914 1.00 64.14 H new ATOM 0 HB3 ARG A 98 6.836 3.026 2.013 1.00 64.14 H new ATOM 0 HG2 ARG A 98 7.304 2.798 -0.382 1.00 73.34 H new ATOM 0 HG3 ARG A 98 7.325 4.539 -0.579 1.00 73.34 H new ATOM 0 HD2 ARG A 98 9.341 4.753 0.737 1.00 74.35 H new ATOM 0 HD3 ARG A 98 9.248 3.087 1.272 1.00 74.35 H new ATOM 0 HE ARG A 98 10.141 2.363 -0.763 1.00 5.42 H new ATOM 0 HH11 ARG A 98 9.398 5.783 -0.909 1.00 34.52 H new ATOM 0 HH12 ARG A 98 10.154 5.967 -2.495 1.00 34.52 H new ATOM 0 HH21 ARG A 98 11.024 2.627 -2.759 1.00 44.11 H new ATOM 0 HH22 ARG A 98 11.052 4.223 -3.516 1.00 44.11 H new ATOM 1549 N PHE A 99 4.868 3.207 -1.253 1.00 13.23 N ATOM 1550 CA PHE A 99 4.742 2.206 -2.325 1.00 61.22 C ATOM 1551 C PHE A 99 6.134 1.747 -2.794 1.00 4.41 C ATOM 1552 O PHE A 99 7.079 2.533 -2.804 1.00 2.13 O ATOM 1553 CB PHE A 99 3.990 2.785 -3.532 1.00 43.51 C ATOM 1554 CG PHE A 99 2.548 3.137 -3.275 1.00 73.41 C ATOM 1555 CD1 PHE A 99 1.545 2.199 -3.473 1.00 50.40 C ATOM 1556 CD2 PHE A 99 2.193 4.412 -2.862 1.00 2.03 C ATOM 1557 CE1 PHE A 99 0.220 2.526 -3.261 1.00 33.13 C ATOM 1558 CE2 PHE A 99 0.870 4.740 -2.646 1.00 64.23 C ATOM 1559 CZ PHE A 99 -0.116 3.798 -2.848 1.00 42.31 C ATOM 0 H PHE A 99 5.031 4.156 -1.590 1.00 13.23 H new ATOM 0 HA PHE A 99 4.185 1.361 -1.921 1.00 61.22 H new ATOM 0 HB2 PHE A 99 4.512 3.680 -3.871 1.00 43.51 H new ATOM 0 HB3 PHE A 99 4.032 2.063 -4.348 1.00 43.51 H new ATOM 0 HD1 PHE A 99 1.803 1.202 -3.797 1.00 50.40 H new ATOM 0 HD2 PHE A 99 2.960 5.156 -2.708 1.00 2.03 H new ATOM 0 HE1 PHE A 99 -0.552 1.787 -3.418 1.00 33.13 H new ATOM 0 HE2 PHE A 99 0.607 5.735 -2.319 1.00 64.23 H new ATOM 0 HZ PHE A 99 -1.152 4.056 -2.683 1.00 42.31 H new ATOM 1569 N GLU A 100 6.256 0.485 -3.193 1.00 32.11 N ATOM 1570 CA GLU A 100 7.534 -0.041 -3.694 1.00 42.30 C ATOM 1571 C GLU A 100 7.313 -0.886 -4.965 1.00 15.01 C ATOM 1572 O GLU A 100 6.695 -1.951 -4.909 1.00 1.13 O ATOM 1573 CB GLU A 100 8.213 -0.882 -2.600 1.00 73.31 C ATOM 1574 CG GLU A 100 9.725 -1.021 -2.760 1.00 74.44 C ATOM 1575 CD GLU A 100 10.466 0.291 -2.538 1.00 42.12 C ATOM 1576 OE1 GLU A 100 10.649 0.684 -1.366 1.00 73.32 O ATOM 1577 OE2 GLU A 100 10.863 0.939 -3.530 1.00 43.42 O ATOM 0 H GLU A 100 5.495 -0.194 -3.182 1.00 32.11 H new ATOM 0 HA GLU A 100 8.183 0.796 -3.953 1.00 42.30 H new ATOM 0 HB2 GLU A 100 8.002 -0.432 -1.630 1.00 73.31 H new ATOM 0 HB3 GLU A 100 7.767 -1.877 -2.594 1.00 73.31 H new ATOM 0 HG2 GLU A 100 10.093 -1.765 -2.054 1.00 74.44 H new ATOM 0 HG3 GLU A 100 9.947 -1.394 -3.760 1.00 74.44 H new ATOM 1584 N THR A 101 7.811 -0.403 -6.110 1.00 45.30 N ATOM 1585 CA THR A 101 7.582 -1.068 -7.410 1.00 35.53 C ATOM 1586 C THR A 101 8.721 -2.000 -7.826 1.00 12.05 C ATOM 1587 O THR A 101 9.849 -1.899 -7.341 1.00 42.33 O ATOM 1588 CB THR A 101 7.389 -0.050 -8.568 1.00 72.41 C ATOM 1589 OG1 THR A 101 8.334 1.027 -8.458 1.00 14.25 O ATOM 1590 CG2 THR A 101 5.971 0.501 -8.602 1.00 43.52 C ATOM 0 H THR A 101 8.375 0.445 -6.168 1.00 45.30 H new ATOM 0 HA THR A 101 6.674 -1.649 -7.249 1.00 35.53 H new ATOM 0 HB THR A 101 7.564 -0.583 -9.502 1.00 72.41 H new ATOM 0 HG1 THR A 101 8.199 1.657 -9.196 1.00 14.25 H new ATOM 0 HG21 THR A 101 5.875 1.209 -9.425 1.00 43.52 H new ATOM 0 HG22 THR A 101 5.266 -0.318 -8.744 1.00 43.52 H new ATOM 0 HG23 THR A 101 5.755 1.007 -7.661 1.00 43.52 H new ATOM 1598 N GLY A 102 8.400 -2.901 -8.753 1.00 72.11 N ATOM 1599 CA GLY A 102 9.415 -3.689 -9.440 1.00 0.50 C ATOM 1600 C GLY A 102 9.571 -3.280 -10.901 1.00 50.55 C ATOM 1601 O GLY A 102 8.893 -2.367 -11.385 1.00 24.53 O ATOM 0 H GLY A 102 7.443 -3.102 -9.044 1.00 72.11 H new ATOM 0 HA2 GLY A 102 10.370 -3.573 -8.928 1.00 0.50 H new ATOM 0 HA3 GLY A 102 9.151 -4.745 -9.386 1.00 0.50 H new ATOM 1605 N TYR A 103 10.435 -3.988 -11.610 1.00 21.30 N ATOM 1606 CA TYR A 103 10.743 -3.699 -13.008 1.00 14.25 C ATOM 1607 C TYR A 103 9.525 -3.919 -13.936 1.00 3.52 C ATOM 1608 O TYR A 103 9.534 -3.520 -15.099 1.00 0.23 O ATOM 1609 CB TYR A 103 11.937 -4.573 -13.432 1.00 73.12 C ATOM 1610 CG TYR A 103 12.108 -4.728 -14.927 1.00 40.55 C ATOM 1611 CD1 TYR A 103 12.813 -3.793 -15.674 1.00 32.31 C ATOM 1612 CD2 TYR A 103 11.560 -5.820 -15.585 1.00 41.33 C ATOM 1613 CE1 TYR A 103 12.966 -3.946 -17.040 1.00 3.02 C ATOM 1614 CE2 TYR A 103 11.705 -5.978 -16.946 1.00 63.51 C ATOM 1615 CZ TYR A 103 12.410 -5.042 -17.671 1.00 61.52 C ATOM 1616 OH TYR A 103 12.565 -5.206 -19.029 1.00 65.33 O ATOM 0 H TYR A 103 10.947 -4.785 -11.233 1.00 21.30 H new ATOM 0 HA TYR A 103 11.002 -2.644 -13.103 1.00 14.25 H new ATOM 0 HB2 TYR A 103 12.849 -4.143 -13.018 1.00 73.12 H new ATOM 0 HB3 TYR A 103 11.821 -5.562 -12.989 1.00 73.12 H new ATOM 0 HD1 TYR A 103 13.247 -2.935 -15.182 1.00 32.31 H new ATOM 0 HD2 TYR A 103 11.010 -6.559 -15.021 1.00 41.33 H new ATOM 0 HE1 TYR A 103 13.517 -3.213 -17.610 1.00 3.02 H new ATOM 0 HE2 TYR A 103 11.268 -6.832 -17.442 1.00 63.51 H new ATOM 0 HH TYR A 103 12.114 -6.028 -19.313 1.00 65.33 H new ATOM 1626 N GLY A 104 8.473 -4.538 -13.414 1.00 32.41 N ATOM 1627 CA GLY A 104 7.279 -4.791 -14.215 1.00 31.40 C ATOM 1628 C GLY A 104 6.296 -3.624 -14.209 1.00 52.42 C ATOM 1629 O GLY A 104 5.300 -3.641 -14.934 1.00 25.12 O ATOM 0 H GLY A 104 8.420 -4.871 -12.451 1.00 32.41 H new ATOM 0 HA2 GLY A 104 7.576 -5.003 -15.242 1.00 31.40 H new ATOM 0 HA3 GLY A 104 6.778 -5.682 -13.838 1.00 31.40 H new ATOM 1633 N LEU A 105 6.574 -2.611 -13.380 1.00 21.13 N ATOM 1634 CA LEU A 105 5.671 -1.459 -13.229 1.00 63.24 C ATOM 1635 C LEU A 105 6.381 -0.108 -13.419 1.00 14.54 C ATOM 1636 O LEU A 105 5.721 0.916 -13.554 1.00 53.13 O ATOM 1637 CB LEU A 105 5.016 -1.489 -11.842 1.00 23.32 C ATOM 1638 CG LEU A 105 4.109 -2.697 -11.567 1.00 73.02 C ATOM 1639 CD1 LEU A 105 3.561 -2.650 -10.145 1.00 30.11 C ATOM 1640 CD2 LEU A 105 2.971 -2.760 -12.587 1.00 42.20 C ATOM 0 H LEU A 105 7.414 -2.563 -12.804 1.00 21.13 H new ATOM 0 HA LEU A 105 4.920 -1.547 -14.014 1.00 63.24 H new ATOM 0 HB2 LEU A 105 5.802 -1.467 -11.087 1.00 23.32 H new ATOM 0 HB3 LEU A 105 4.429 -0.579 -11.717 1.00 23.32 H new ATOM 0 HG LEU A 105 4.707 -3.603 -11.668 1.00 73.02 H new ATOM 0 HD11 LEU A 105 2.921 -3.516 -9.973 1.00 30.11 H new ATOM 0 HD12 LEU A 105 4.388 -2.664 -9.436 1.00 30.11 H new ATOM 0 HD13 LEU A 105 2.981 -1.737 -10.009 1.00 30.11 H new ATOM 0 HD21 LEU A 105 2.340 -3.623 -12.375 1.00 42.20 H new ATOM 0 HD22 LEU A 105 2.375 -1.850 -12.524 1.00 42.20 H new ATOM 0 HD23 LEU A 105 3.387 -2.852 -13.590 1.00 42.20 H new ATOM 1652 N GLU A 106 7.712 -0.105 -13.435 1.00 72.41 N ATOM 1653 CA GLU A 106 8.498 1.144 -13.524 1.00 61.42 C ATOM 1654 C GLU A 106 8.165 1.990 -14.773 1.00 4.23 C ATOM 1655 O GLU A 106 8.492 3.179 -14.830 1.00 34.23 O ATOM 1656 CB GLU A 106 10.008 0.830 -13.457 1.00 32.44 C ATOM 1657 CG GLU A 106 10.433 -0.443 -14.190 1.00 61.33 C ATOM 1658 CD GLU A 106 10.344 -0.347 -15.708 1.00 14.41 C ATOM 1659 OE1 GLU A 106 9.263 -0.626 -16.266 1.00 72.32 O ATOM 1660 OE2 GLU A 106 11.362 0.000 -16.346 1.00 75.03 O ATOM 0 H GLU A 106 8.279 -0.951 -13.388 1.00 72.41 H new ATOM 0 HA GLU A 106 8.217 1.754 -12.665 1.00 61.42 H new ATOM 0 HB2 GLU A 106 10.559 1.673 -13.874 1.00 32.44 H new ATOM 0 HB3 GLU A 106 10.301 0.744 -12.411 1.00 32.44 H new ATOM 0 HG2 GLU A 106 11.459 -0.684 -13.912 1.00 61.33 H new ATOM 0 HG3 GLU A 106 9.808 -1.270 -13.852 1.00 61.33 H new ATOM 1667 N GLY A 107 7.536 1.378 -15.772 1.00 54.41 N ATOM 1668 CA GLY A 107 7.068 2.122 -16.939 1.00 52.44 C ATOM 1669 C GLY A 107 5.828 2.972 -16.651 1.00 32.12 C ATOM 1670 O GLY A 107 5.581 3.978 -17.322 1.00 34.45 O ATOM 0 H GLY A 107 7.339 0.377 -15.798 1.00 54.41 H new ATOM 0 HA2 GLY A 107 7.870 2.769 -17.296 1.00 52.44 H new ATOM 0 HA3 GLY A 107 6.842 1.421 -17.743 1.00 52.44 H new ATOM 1674 N TYR A 108 5.039 2.561 -15.659 1.00 41.52 N ATOM 1675 CA TYR A 108 3.820 3.285 -15.267 1.00 42.41 C ATOM 1676 C TYR A 108 4.002 4.038 -13.942 1.00 5.12 C ATOM 1677 O TYR A 108 3.595 5.193 -13.809 1.00 15.51 O ATOM 1678 CB TYR A 108 2.640 2.312 -15.109 1.00 74.40 C ATOM 1679 CG TYR A 108 2.330 1.494 -16.345 1.00 40.30 C ATOM 1680 CD1 TYR A 108 1.851 2.099 -17.500 1.00 25.51 C ATOM 1681 CD2 TYR A 108 2.517 0.114 -16.356 1.00 50.00 C ATOM 1682 CE1 TYR A 108 1.563 1.357 -18.628 1.00 22.24 C ATOM 1683 CE2 TYR A 108 2.230 -0.635 -17.480 1.00 13.45 C ATOM 1684 CZ TYR A 108 1.754 -0.009 -18.614 1.00 75.54 C ATOM 1685 OH TYR A 108 1.465 -0.747 -19.737 1.00 51.33 O ATOM 0 H TYR A 108 5.220 1.724 -15.105 1.00 41.52 H new ATOM 0 HA TYR A 108 3.616 4.004 -16.060 1.00 42.41 H new ATOM 0 HB2 TYR A 108 2.854 1.633 -14.284 1.00 74.40 H new ATOM 0 HB3 TYR A 108 1.752 2.880 -14.833 1.00 74.40 H new ATOM 0 HD1 TYR A 108 1.701 3.168 -17.516 1.00 25.51 H new ATOM 0 HD2 TYR A 108 2.893 -0.378 -15.471 1.00 50.00 H new ATOM 0 HE1 TYR A 108 1.190 1.844 -19.517 1.00 22.24 H new ATOM 0 HE2 TYR A 108 2.377 -1.705 -17.472 1.00 13.45 H new ATOM 0 HH TYR A 108 1.499 -1.702 -19.519 1.00 51.33 H new ATOM 1695 N LEU A 109 4.617 3.369 -12.966 1.00 61.33 N ATOM 1696 CA LEU A 109 4.683 3.870 -11.588 1.00 32.02 C ATOM 1697 C LEU A 109 6.131 4.097 -11.109 1.00 14.11 C ATOM 1698 O LEU A 109 6.733 3.216 -10.487 1.00 3.11 O ATOM 1699 CB LEU A 109 3.994 2.865 -10.654 1.00 32.44 C ATOM 1700 CG LEU A 109 2.546 2.499 -11.024 1.00 33.32 C ATOM 1701 CD1 LEU A 109 2.092 1.266 -10.248 1.00 3.53 C ATOM 1702 CD2 LEU A 109 1.603 3.677 -10.772 1.00 22.32 C ATOM 0 H LEU A 109 5.081 2.471 -13.104 1.00 61.33 H new ATOM 0 HA LEU A 109 4.177 4.835 -11.565 1.00 32.02 H new ATOM 0 HB2 LEU A 109 4.587 1.951 -10.633 1.00 32.44 H new ATOM 0 HB3 LEU A 109 4.000 3.273 -9.643 1.00 32.44 H new ATOM 0 HG LEU A 109 2.514 2.266 -12.088 1.00 33.32 H new ATOM 0 HD11 LEU A 109 1.066 1.021 -10.522 1.00 3.53 H new ATOM 0 HD12 LEU A 109 2.742 0.425 -10.489 1.00 3.53 H new ATOM 0 HD13 LEU A 109 2.143 1.470 -9.178 1.00 3.53 H new ATOM 0 HD21 LEU A 109 0.586 3.393 -11.041 1.00 22.32 H new ATOM 0 HD22 LEU A 109 1.636 3.950 -9.717 1.00 22.32 H new ATOM 0 HD23 LEU A 109 1.914 4.528 -11.377 1.00 22.32 H new ATOM 1714 N PRO A 110 6.725 5.264 -11.413 1.00 71.11 N ATOM 1715 CA PRO A 110 8.030 5.645 -10.855 1.00 12.35 C ATOM 1716 C PRO A 110 7.915 6.179 -9.412 1.00 62.02 C ATOM 1717 O PRO A 110 6.828 6.562 -8.967 1.00 62.03 O ATOM 1718 CB PRO A 110 8.504 6.742 -11.814 1.00 10.32 C ATOM 1719 CG PRO A 110 7.247 7.374 -12.314 1.00 44.55 C ATOM 1720 CD PRO A 110 6.200 6.283 -12.346 1.00 4.43 C ATOM 0 HA PRO A 110 8.716 4.801 -10.781 1.00 12.35 H new ATOM 0 HB2 PRO A 110 9.137 7.468 -11.304 1.00 10.32 H new ATOM 0 HB3 PRO A 110 9.092 6.326 -12.633 1.00 10.32 H new ATOM 0 HG2 PRO A 110 6.937 8.190 -11.661 1.00 44.55 H new ATOM 0 HG3 PRO A 110 7.395 7.799 -13.307 1.00 44.55 H new ATOM 0 HD2 PRO A 110 5.226 6.654 -12.027 1.00 4.43 H new ATOM 0 HD3 PRO A 110 6.074 5.879 -13.350 1.00 4.43 H new ATOM 1728 N ASP A 111 9.037 6.216 -8.691 1.00 71.33 N ATOM 1729 CA ASP A 111 9.049 6.647 -7.282 1.00 50.13 C ATOM 1730 C ASP A 111 8.453 8.062 -7.114 1.00 33.35 C ATOM 1731 O ASP A 111 7.787 8.354 -6.116 1.00 51.44 O ATOM 1732 CB ASP A 111 10.484 6.593 -6.738 1.00 15.22 C ATOM 1733 CG ASP A 111 10.571 6.920 -5.255 1.00 51.30 C ATOM 1734 OD1 ASP A 111 10.673 8.115 -4.912 1.00 34.33 O ATOM 1735 OD2 ASP A 111 10.551 5.982 -4.425 1.00 32.32 O ATOM 0 H ASP A 111 9.953 5.953 -9.055 1.00 71.33 H new ATOM 0 HA ASP A 111 8.422 5.964 -6.709 1.00 50.13 H new ATOM 0 HB2 ASP A 111 10.894 5.598 -6.909 1.00 15.22 H new ATOM 0 HB3 ASP A 111 11.105 7.294 -7.296 1.00 15.22 H new ATOM 1740 N GLY A 112 8.683 8.929 -8.100 1.00 22.14 N ATOM 1741 CA GLY A 112 8.116 10.277 -8.066 1.00 73.24 C ATOM 1742 C GLY A 112 6.586 10.284 -8.087 1.00 23.11 C ATOM 1743 O GLY A 112 5.947 10.939 -7.260 1.00 25.23 O ATOM 0 H GLY A 112 9.251 8.726 -8.923 1.00 22.14 H new ATOM 0 HA2 GLY A 112 8.464 10.789 -7.169 1.00 73.24 H new ATOM 0 HA3 GLY A 112 8.488 10.843 -8.920 1.00 73.24 H new ATOM 1747 N LEU A 113 6.001 9.552 -9.034 1.00 62.03 N ATOM 1748 CA LEU A 113 4.543 9.401 -9.116 1.00 33.21 C ATOM 1749 C LEU A 113 3.975 8.794 -7.824 1.00 34.04 C ATOM 1750 O LEU A 113 2.975 9.274 -7.286 1.00 31.21 O ATOM 1751 CB LEU A 113 4.167 8.524 -10.321 1.00 34.02 C ATOM 1752 CG LEU A 113 2.666 8.204 -10.473 1.00 61.55 C ATOM 1753 CD1 LEU A 113 1.844 9.483 -10.606 1.00 64.30 C ATOM 1754 CD2 LEU A 113 2.428 7.282 -11.668 1.00 43.55 C ATOM 0 H LEU A 113 6.514 9.051 -9.759 1.00 62.03 H new ATOM 0 HA LEU A 113 4.108 10.392 -9.246 1.00 33.21 H new ATOM 0 HB2 LEU A 113 4.507 9.021 -11.229 1.00 34.02 H new ATOM 0 HB3 LEU A 113 4.714 7.584 -10.248 1.00 34.02 H new ATOM 0 HG LEU A 113 2.340 7.686 -9.571 1.00 61.55 H new ATOM 0 HD11 LEU A 113 0.789 9.228 -10.712 1.00 64.30 H new ATOM 0 HD12 LEU A 113 1.981 10.098 -9.717 1.00 64.30 H new ATOM 0 HD13 LEU A 113 2.173 10.037 -11.485 1.00 64.30 H new ATOM 0 HD21 LEU A 113 1.363 7.069 -11.757 1.00 43.55 H new ATOM 0 HD22 LEU A 113 2.778 7.769 -12.578 1.00 43.55 H new ATOM 0 HD23 LEU A 113 2.973 6.350 -11.522 1.00 43.55 H new ATOM 1766 N LEU A 114 4.623 7.740 -7.331 1.00 15.12 N ATOM 1767 CA LEU A 114 4.226 7.108 -6.066 1.00 14.15 C ATOM 1768 C LEU A 114 4.271 8.120 -4.908 1.00 32.25 C ATOM 1769 O LEU A 114 3.354 8.184 -4.088 1.00 74.43 O ATOM 1770 CB LEU A 114 5.138 5.908 -5.765 1.00 2.40 C ATOM 1771 CG LEU A 114 5.101 4.780 -6.809 1.00 31.04 C ATOM 1772 CD1 LEU A 114 6.103 3.682 -6.457 1.00 15.11 C ATOM 1773 CD2 LEU A 114 3.689 4.206 -6.938 1.00 64.23 C ATOM 0 H LEU A 114 5.425 7.303 -7.785 1.00 15.12 H new ATOM 0 HA LEU A 114 3.200 6.755 -6.166 1.00 14.15 H new ATOM 0 HB2 LEU A 114 6.164 6.265 -5.676 1.00 2.40 H new ATOM 0 HB3 LEU A 114 4.859 5.494 -4.796 1.00 2.40 H new ATOM 0 HG LEU A 114 5.385 5.201 -7.773 1.00 31.04 H new ATOM 0 HD11 LEU A 114 6.059 2.895 -7.209 1.00 15.11 H new ATOM 0 HD12 LEU A 114 7.108 4.102 -6.430 1.00 15.11 H new ATOM 0 HD13 LEU A 114 5.857 3.265 -5.480 1.00 15.11 H new ATOM 0 HD21 LEU A 114 3.687 3.409 -7.682 1.00 64.23 H new ATOM 0 HD22 LEU A 114 3.370 3.805 -5.976 1.00 64.23 H new ATOM 0 HD23 LEU A 114 3.003 4.994 -7.248 1.00 64.23 H new ATOM 1785 N SER A 115 5.332 8.923 -4.864 1.00 55.15 N ATOM 1786 CA SER A 115 5.476 9.971 -3.841 1.00 34.13 C ATOM 1787 C SER A 115 4.357 11.016 -3.961 1.00 25.55 C ATOM 1788 O SER A 115 3.844 11.506 -2.953 1.00 35.44 O ATOM 1789 CB SER A 115 6.846 10.658 -3.945 1.00 32.31 C ATOM 1790 OG SER A 115 7.908 9.762 -3.633 1.00 10.24 O ATOM 0 H SER A 115 6.109 8.872 -5.523 1.00 55.15 H new ATOM 0 HA SER A 115 5.400 9.489 -2.866 1.00 34.13 H new ATOM 0 HB2 SER A 115 6.983 11.047 -4.954 1.00 32.31 H new ATOM 0 HB3 SER A 115 6.878 11.511 -3.267 1.00 32.31 H new ATOM 0 HG SER A 115 8.051 9.149 -4.385 1.00 10.24 H new ATOM 1796 N ARG A 116 3.981 11.353 -5.198 1.00 3.20 N ATOM 1797 CA ARG A 116 2.846 12.252 -5.444 1.00 4.35 C ATOM 1798 C ARG A 116 1.565 11.689 -4.819 1.00 71.30 C ATOM 1799 O ARG A 116 0.891 12.362 -4.046 1.00 34.41 O ATOM 1800 CB ARG A 116 2.635 12.463 -6.951 1.00 43.01 C ATOM 1801 CG ARG A 116 1.359 13.236 -7.294 1.00 50.33 C ATOM 1802 CD ARG A 116 1.097 13.283 -8.797 1.00 52.42 C ATOM 1803 NE ARG A 116 2.032 14.161 -9.505 1.00 35.21 N ATOM 1804 CZ ARG A 116 2.960 13.747 -10.326 1.00 52.50 C ATOM 1805 NH1 ARG A 116 3.143 12.483 -10.530 1.00 64.41 N ATOM 1806 NH2 ARG A 116 3.697 14.600 -10.954 1.00 51.34 N ATOM 0 H ARG A 116 4.443 11.019 -6.044 1.00 3.20 H new ATOM 0 HA ARG A 116 3.075 13.212 -4.982 1.00 4.35 H new ATOM 0 HB2 ARG A 116 3.493 12.998 -7.357 1.00 43.01 H new ATOM 0 HB3 ARG A 116 2.603 11.491 -7.444 1.00 43.01 H new ATOM 0 HG2 ARG A 116 0.510 12.771 -6.794 1.00 50.33 H new ATOM 0 HG3 ARG A 116 1.438 14.253 -6.909 1.00 50.33 H new ATOM 0 HD2 ARG A 116 1.170 12.275 -9.206 1.00 52.42 H new ATOM 0 HD3 ARG A 116 0.078 13.626 -8.974 1.00 52.42 H new ATOM 0 HE ARG A 116 1.953 15.165 -9.346 1.00 35.21 H new ATOM 0 HH11 ARG A 116 2.560 11.799 -10.048 1.00 64.41 H new ATOM 0 HH12 ARG A 116 3.870 12.170 -11.173 1.00 64.41 H new ATOM 0 HH21 ARG A 116 3.556 15.600 -10.810 1.00 51.34 H new ATOM 0 HH22 ARG A 116 4.421 14.274 -11.595 1.00 51.34 H new ATOM 1820 N ILE A 117 1.242 10.441 -5.158 1.00 54.42 N ATOM 1821 CA ILE A 117 0.059 9.767 -4.610 1.00 55.53 C ATOM 1822 C ILE A 117 0.067 9.791 -3.071 1.00 13.05 C ATOM 1823 O ILE A 117 -0.922 10.172 -2.435 1.00 11.22 O ATOM 1824 CB ILE A 117 -0.019 8.298 -5.102 1.00 44.03 C ATOM 1825 CG1 ILE A 117 -0.101 8.254 -6.641 1.00 23.41 C ATOM 1826 CG2 ILE A 117 -1.213 7.576 -4.472 1.00 14.21 C ATOM 1827 CD1 ILE A 117 -0.094 6.851 -7.220 1.00 1.32 C ATOM 0 H ILE A 117 1.782 9.873 -5.811 1.00 54.42 H new ATOM 0 HA ILE A 117 -0.816 10.310 -4.966 1.00 55.53 H new ATOM 0 HB ILE A 117 0.888 7.780 -4.790 1.00 44.03 H new ATOM 0 HG12 ILE A 117 -1.010 8.763 -6.961 1.00 23.41 H new ATOM 0 HG13 ILE A 117 0.739 8.811 -7.055 1.00 23.41 H new ATOM 0 HG21 ILE A 117 -1.247 6.548 -4.832 1.00 14.21 H new ATOM 0 HG22 ILE A 117 -1.108 7.578 -3.387 1.00 14.21 H new ATOM 0 HG23 ILE A 117 -2.135 8.088 -4.748 1.00 14.21 H new ATOM 0 HD11 ILE A 117 -0.154 6.906 -8.307 1.00 1.32 H new ATOM 0 HD12 ILE A 117 0.827 6.343 -6.933 1.00 1.32 H new ATOM 0 HD13 ILE A 117 -0.950 6.295 -6.837 1.00 1.32 H new ATOM 1839 N ILE A 118 1.199 9.399 -2.487 1.00 23.43 N ATOM 1840 CA ILE A 118 1.361 9.376 -1.031 1.00 24.10 C ATOM 1841 C ILE A 118 1.125 10.760 -0.405 1.00 13.11 C ATOM 1842 O ILE A 118 0.254 10.923 0.442 1.00 45.41 O ATOM 1843 CB ILE A 118 2.781 8.885 -0.642 1.00 73.12 C ATOM 1844 CG1 ILE A 118 3.004 7.442 -1.120 1.00 2.23 C ATOM 1845 CG2 ILE A 118 3.005 8.998 0.867 1.00 54.41 C ATOM 1846 CD1 ILE A 118 4.424 6.941 -0.924 1.00 54.11 C ATOM 0 H ILE A 118 2.023 9.091 -3.003 1.00 23.43 H new ATOM 0 HA ILE A 118 0.612 8.685 -0.644 1.00 24.10 H new ATOM 0 HB ILE A 118 3.509 9.526 -1.138 1.00 73.12 H new ATOM 0 HG12 ILE A 118 2.320 6.783 -0.586 1.00 2.23 H new ATOM 0 HG13 ILE A 118 2.749 7.377 -2.178 1.00 2.23 H new ATOM 0 HG21 ILE A 118 4.007 8.648 1.113 1.00 54.41 H new ATOM 0 HG22 ILE A 118 2.899 10.039 1.174 1.00 54.41 H new ATOM 0 HG23 ILE A 118 2.269 8.388 1.391 1.00 54.41 H new ATOM 0 HD11 ILE A 118 4.501 5.916 -1.286 1.00 54.11 H new ATOM 0 HD12 ILE A 118 5.114 7.575 -1.481 1.00 54.11 H new ATOM 0 HD13 ILE A 118 4.678 6.972 0.136 1.00 54.11 H new ATOM 1858 N HIS A 119 1.879 11.759 -0.853 1.00 24.22 N ATOM 1859 CA HIS A 119 1.842 13.092 -0.238 1.00 74.20 C ATOM 1860 C HIS A 119 0.552 13.862 -0.561 1.00 32.03 C ATOM 1861 O HIS A 119 -0.026 14.516 0.307 1.00 11.44 O ATOM 1862 CB HIS A 119 3.060 13.908 -0.683 1.00 23.15 C ATOM 1863 CG HIS A 119 4.346 13.474 -0.044 1.00 45.13 C ATOM 1864 ND1 HIS A 119 4.967 14.192 0.956 1.00 1.32 N ATOM 1865 CD2 HIS A 119 5.129 12.391 -0.261 1.00 0.44 C ATOM 1866 CE1 HIS A 119 6.069 13.574 1.324 1.00 21.54 C ATOM 1867 NE2 HIS A 119 6.192 12.478 0.604 1.00 30.30 N ATOM 0 H HIS A 119 2.524 11.676 -1.639 1.00 24.22 H new ATOM 0 HA HIS A 119 1.865 12.944 0.842 1.00 74.20 H new ATOM 0 HB2 HIS A 119 3.160 13.833 -1.766 1.00 23.15 H new ATOM 0 HB3 HIS A 119 2.886 14.959 -0.451 1.00 23.15 H new ATOM 0 HD2 HIS A 119 4.951 11.605 -0.980 1.00 0.44 H new ATOM 0 HE1 HIS A 119 6.756 13.909 2.087 1.00 21.54 H new ATOM 0 HE2 HIS A 119 6.953 11.803 0.677 1.00 30.30 H new ATOM 1876 N ASP A 120 0.099 13.766 -1.802 1.00 64.23 N ATOM 1877 CA ASP A 120 -1.009 14.593 -2.291 1.00 43.13 C ATOM 1878 C ASP A 120 -2.383 14.070 -1.834 1.00 13.15 C ATOM 1879 O ASP A 120 -3.236 14.848 -1.404 1.00 44.10 O ATOM 1880 CB ASP A 120 -0.949 14.669 -3.823 1.00 73.22 C ATOM 1881 CG ASP A 120 -1.947 15.652 -4.406 1.00 75.13 C ATOM 1882 OD1 ASP A 120 -1.924 16.835 -4.013 1.00 24.03 O ATOM 1883 OD2 ASP A 120 -2.760 15.251 -5.264 1.00 41.24 O ATOM 0 H ASP A 120 0.479 13.123 -2.496 1.00 64.23 H new ATOM 0 HA ASP A 120 -0.895 15.589 -1.862 1.00 43.13 H new ATOM 0 HB2 ASP A 120 0.057 14.957 -4.128 1.00 73.22 H new ATOM 0 HB3 ASP A 120 -1.137 13.679 -4.238 1.00 73.22 H new ATOM 1888 N ARG A 121 -2.601 12.758 -1.926 1.00 53.52 N ATOM 1889 CA ARG A 121 -3.926 12.179 -1.642 1.00 32.05 C ATOM 1890 C ARG A 121 -3.964 11.362 -0.337 1.00 54.23 C ATOM 1891 O ARG A 121 -4.986 11.332 0.348 1.00 42.25 O ATOM 1892 CB ARG A 121 -4.373 11.299 -2.819 1.00 42.33 C ATOM 1893 CG ARG A 121 -4.469 12.051 -4.144 1.00 34.02 C ATOM 1894 CD ARG A 121 -4.928 11.146 -5.284 1.00 42.43 C ATOM 1895 NE ARG A 121 -6.275 10.622 -5.065 1.00 30.52 N ATOM 1896 CZ ARG A 121 -6.997 10.034 -5.981 1.00 1.22 C ATOM 1897 NH1 ARG A 121 -6.537 9.871 -7.185 1.00 31.04 N ATOM 1898 NH2 ARG A 121 -8.181 9.607 -5.679 1.00 1.43 N ATOM 0 H ARG A 121 -1.889 12.077 -2.192 1.00 53.52 H new ATOM 0 HA ARG A 121 -4.613 13.015 -1.511 1.00 32.05 H new ATOM 0 HB2 ARG A 121 -3.671 10.472 -2.930 1.00 42.33 H new ATOM 0 HB3 ARG A 121 -5.345 10.863 -2.587 1.00 42.33 H new ATOM 0 HG2 ARG A 121 -5.165 12.883 -4.039 1.00 34.02 H new ATOM 0 HG3 ARG A 121 -3.497 12.478 -4.389 1.00 34.02 H new ATOM 0 HD2 ARG A 121 -4.905 11.704 -6.220 1.00 42.43 H new ATOM 0 HD3 ARG A 121 -4.230 10.316 -5.390 1.00 42.43 H new ATOM 0 HE ARG A 121 -6.678 10.722 -4.134 1.00 30.52 H new ATOM 0 HH11 ARG A 121 -5.603 10.204 -7.423 1.00 31.04 H new ATOM 0 HH12 ARG A 121 -7.110 9.410 -7.892 1.00 31.04 H new ATOM 0 HH21 ARG A 121 -8.542 9.731 -4.733 1.00 1.43 H new ATOM 0 HH22 ARG A 121 -8.753 9.146 -6.387 1.00 1.43 H new ATOM 1912 N MET A 122 -2.858 10.706 0.009 1.00 63.34 N ATOM 1913 CA MET A 122 -2.846 9.764 1.140 1.00 42.20 C ATOM 1914 C MET A 122 -2.537 10.445 2.493 1.00 42.43 C ATOM 1915 O MET A 122 -3.283 10.273 3.460 1.00 33.32 O ATOM 1916 CB MET A 122 -1.839 8.642 0.865 1.00 23.32 C ATOM 1917 CG MET A 122 -2.138 7.857 -0.406 1.00 23.23 C ATOM 1918 SD MET A 122 -0.978 6.503 -0.681 1.00 43.31 S ATOM 1919 CE MET A 122 -1.347 5.440 0.712 1.00 22.10 C ATOM 0 H MET A 122 -1.963 10.804 -0.469 1.00 63.34 H new ATOM 0 HA MET A 122 -3.851 9.351 1.226 1.00 42.20 H new ATOM 0 HB2 MET A 122 -0.840 9.071 0.791 1.00 23.32 H new ATOM 0 HB3 MET A 122 -1.830 7.957 1.713 1.00 23.32 H new ATOM 0 HG2 MET A 122 -3.150 7.456 -0.350 1.00 23.23 H new ATOM 0 HG3 MET A 122 -2.109 8.533 -1.260 1.00 23.23 H new ATOM 0 HE1 MET A 122 -0.417 5.101 1.167 1.00 22.10 H new ATOM 0 HE2 MET A 122 -1.930 5.994 1.448 1.00 22.10 H new ATOM 0 HE3 MET A 122 -1.919 4.577 0.370 1.00 22.10 H new ATOM 1929 N ILE A 123 -1.447 11.219 2.556 1.00 42.21 N ATOM 1930 CA ILE A 123 -1.016 11.862 3.813 1.00 54.04 C ATOM 1931 C ILE A 123 -2.152 12.659 4.497 1.00 13.34 C ATOM 1932 O ILE A 123 -2.383 12.488 5.697 1.00 54.43 O ATOM 1933 CB ILE A 123 0.207 12.803 3.602 1.00 23.24 C ATOM 1934 CG1 ILE A 123 1.419 12.026 3.059 1.00 41.23 C ATOM 1935 CG2 ILE A 123 0.575 13.524 4.901 1.00 34.34 C ATOM 1936 CD1 ILE A 123 1.932 10.937 3.977 1.00 42.14 C ATOM 0 H ILE A 123 -0.846 11.418 1.756 1.00 42.21 H new ATOM 0 HA ILE A 123 -0.726 11.040 4.468 1.00 54.04 H new ATOM 0 HB ILE A 123 -0.078 13.551 2.862 1.00 23.24 H new ATOM 0 HG12 ILE A 123 1.149 11.579 2.102 1.00 41.23 H new ATOM 0 HG13 ILE A 123 2.228 12.730 2.865 1.00 41.23 H new ATOM 0 HG21 ILE A 123 1.432 14.175 4.726 1.00 34.34 H new ATOM 0 HG22 ILE A 123 -0.272 14.122 5.238 1.00 34.34 H new ATOM 0 HG23 ILE A 123 0.827 12.790 5.666 1.00 34.34 H new ATOM 0 HD11 ILE A 123 2.786 10.443 3.514 1.00 42.14 H new ATOM 0 HD12 ILE A 123 2.238 11.376 4.927 1.00 42.14 H new ATOM 0 HD13 ILE A 123 1.142 10.207 4.153 1.00 42.14 H new ATOM 1948 N PRO A 124 -2.882 13.538 3.755 1.00 62.12 N ATOM 1949 CA PRO A 124 -3.991 14.337 4.325 1.00 2.45 C ATOM 1950 C PRO A 124 -4.986 13.508 5.160 1.00 72.02 C ATOM 1951 O PRO A 124 -5.603 14.021 6.096 1.00 51.35 O ATOM 1952 CB PRO A 124 -4.683 14.909 3.082 1.00 32.53 C ATOM 1953 CG PRO A 124 -3.599 15.013 2.068 1.00 62.22 C ATOM 1954 CD PRO A 124 -2.685 13.841 2.316 1.00 1.12 C ATOM 0 HA PRO A 124 -3.620 15.088 5.022 1.00 2.45 H new ATOM 0 HB2 PRO A 124 -5.486 14.257 2.739 1.00 32.53 H new ATOM 0 HB3 PRO A 124 -5.129 15.882 3.288 1.00 32.53 H new ATOM 0 HG2 PRO A 124 -4.006 14.983 1.057 1.00 62.22 H new ATOM 0 HG3 PRO A 124 -3.061 15.956 2.167 1.00 62.22 H new ATOM 0 HD2 PRO A 124 -2.947 12.989 1.688 1.00 1.12 H new ATOM 0 HD3 PRO A 124 -1.647 14.090 2.098 1.00 1.12 H new ATOM 1962 N HIS A 125 -5.129 12.228 4.825 1.00 54.41 N ATOM 1963 CA HIS A 125 -6.031 11.331 5.558 1.00 72.30 C ATOM 1964 C HIS A 125 -5.364 10.762 6.818 1.00 4.43 C ATOM 1965 O HIS A 125 -5.917 10.855 7.918 1.00 45.44 O ATOM 1966 CB HIS A 125 -6.512 10.187 4.656 1.00 43.22 C ATOM 1967 CG HIS A 125 -7.547 10.599 3.658 1.00 61.31 C ATOM 1968 ND1 HIS A 125 -8.840 10.863 4.041 1.00 0.43 N ATOM 1969 CD2 HIS A 125 -7.437 10.773 2.321 1.00 15.40 C ATOM 1970 CE1 HIS A 125 -9.484 11.191 2.937 1.00 51.32 C ATOM 1971 NE2 HIS A 125 -8.677 11.152 1.867 1.00 4.25 N ATOM 0 H HIS A 125 -4.634 11.785 4.051 1.00 54.41 H new ATOM 0 HA HIS A 125 -6.892 11.923 5.870 1.00 72.30 H new ATOM 0 HB2 HIS A 125 -5.656 9.770 4.126 1.00 43.22 H new ATOM 0 HB3 HIS A 125 -6.919 9.391 5.280 1.00 43.22 H new ATOM 0 HD2 HIS A 125 -6.546 10.640 1.725 1.00 15.40 H new ATOM 0 HE1 HIS A 125 -10.530 11.457 2.900 1.00 51.32 H new ATOM 0 HE2 HIS A 125 -8.934 11.363 0.903 1.00 4.25 H new ATOM 1979 N PHE A 126 -4.174 10.182 6.659 1.00 71.32 N ATOM 1980 CA PHE A 126 -3.443 9.589 7.790 1.00 54.04 C ATOM 1981 C PHE A 126 -3.206 10.615 8.905 1.00 40.12 C ATOM 1982 O PHE A 126 -3.409 10.326 10.086 1.00 11.45 O ATOM 1983 CB PHE A 126 -2.096 9.021 7.321 1.00 43.20 C ATOM 1984 CG PHE A 126 -2.226 7.953 6.268 1.00 61.32 C ATOM 1985 CD1 PHE A 126 -2.921 6.783 6.533 1.00 62.42 C ATOM 1986 CD2 PHE A 126 -1.660 8.118 5.014 1.00 51.03 C ATOM 1987 CE1 PHE A 126 -3.046 5.802 5.571 1.00 32.30 C ATOM 1988 CE2 PHE A 126 -1.784 7.140 4.048 1.00 51.42 C ATOM 1989 CZ PHE A 126 -2.478 5.981 4.326 1.00 0.12 C ATOM 0 H PHE A 126 -3.693 10.108 5.763 1.00 71.32 H new ATOM 0 HA PHE A 126 -4.058 8.782 8.189 1.00 54.04 H new ATOM 0 HB2 PHE A 126 -1.485 9.834 6.928 1.00 43.20 H new ATOM 0 HB3 PHE A 126 -1.566 8.610 8.180 1.00 43.20 H new ATOM 0 HD1 PHE A 126 -3.370 6.638 7.504 1.00 62.42 H new ATOM 0 HD2 PHE A 126 -1.115 9.023 4.790 1.00 51.03 H new ATOM 0 HE1 PHE A 126 -3.588 4.894 5.792 1.00 32.30 H new ATOM 0 HE2 PHE A 126 -1.338 7.282 3.075 1.00 51.42 H new ATOM 0 HZ PHE A 126 -2.577 5.215 3.571 1.00 0.12 H new ATOM 1999 N ARG A 127 -2.795 11.820 8.519 1.00 43.10 N ATOM 2000 CA ARG A 127 -2.523 12.893 9.484 1.00 74.03 C ATOM 2001 C ARG A 127 -3.820 13.433 10.113 1.00 12.22 C ATOM 2002 O ARG A 127 -3.781 14.208 11.069 1.00 31.35 O ATOM 2003 CB ARG A 127 -1.750 14.031 8.801 1.00 22.21 C ATOM 2004 CG ARG A 127 -2.557 14.790 7.753 1.00 22.34 C ATOM 2005 CD ARG A 127 -1.738 15.896 7.086 1.00 10.30 C ATOM 2006 NE ARG A 127 -1.280 16.911 8.039 1.00 1.12 N ATOM 2007 CZ ARG A 127 -1.475 18.195 7.896 1.00 4.44 C ATOM 2008 NH1 ARG A 127 -2.117 18.653 6.869 1.00 22.33 N ATOM 2009 NH2 ARG A 127 -1.018 19.024 8.779 1.00 12.42 N ATOM 0 H ARG A 127 -2.642 12.083 7.545 1.00 43.10 H new ATOM 0 HA ARG A 127 -1.916 12.475 10.287 1.00 74.03 H new ATOM 0 HB2 ARG A 127 -1.411 14.734 9.562 1.00 22.21 H new ATOM 0 HB3 ARG A 127 -0.859 13.618 8.329 1.00 22.21 H new ATOM 0 HG2 ARG A 127 -2.910 14.093 6.993 1.00 22.34 H new ATOM 0 HG3 ARG A 127 -3.440 15.225 8.221 1.00 22.34 H new ATOM 0 HD2 ARG A 127 -0.875 15.454 6.589 1.00 10.30 H new ATOM 0 HD3 ARG A 127 -2.341 16.374 6.314 1.00 10.30 H new ATOM 0 HE ARG A 127 -0.776 16.594 8.868 1.00 1.12 H new ATOM 0 HH11 ARG A 127 -2.475 18.010 6.163 1.00 22.33 H new ATOM 0 HH12 ARG A 127 -2.264 19.657 6.766 1.00 22.33 H new ATOM 0 HH21 ARG A 127 -0.505 18.675 9.588 1.00 12.42 H new ATOM 0 HH22 ARG A 127 -1.171 20.026 8.665 1.00 12.42 H new ATOM 2023 N SER A 128 -4.965 13.028 9.563 1.00 13.34 N ATOM 2024 CA SER A 128 -6.278 13.446 10.087 1.00 11.23 C ATOM 2025 C SER A 128 -7.029 12.279 10.749 1.00 51.12 C ATOM 2026 O SER A 128 -8.132 12.457 11.265 1.00 32.12 O ATOM 2027 CB SER A 128 -7.139 14.047 8.967 1.00 3.15 C ATOM 2028 OG SER A 128 -6.531 15.210 8.415 1.00 73.24 O ATOM 0 H SER A 128 -5.016 12.410 8.753 1.00 13.34 H new ATOM 0 HA SER A 128 -6.093 14.204 10.849 1.00 11.23 H new ATOM 0 HB2 SER A 128 -7.289 13.305 8.183 1.00 3.15 H new ATOM 0 HB3 SER A 128 -8.124 14.300 9.359 1.00 3.15 H new ATOM 0 HG SER A 128 -6.111 14.984 7.559 1.00 73.24 H new ATOM 2034 N GLY A 129 -6.435 11.083 10.725 1.00 32.44 N ATOM 2035 CA GLY A 129 -7.043 9.927 11.385 1.00 11.45 C ATOM 2036 C GLY A 129 -7.627 8.893 10.420 1.00 35.10 C ATOM 2037 O GLY A 129 -7.863 7.747 10.805 1.00 34.34 O ATOM 0 H GLY A 129 -5.546 10.892 10.262 1.00 32.44 H new ATOM 0 HA2 GLY A 129 -6.293 9.442 12.010 1.00 11.45 H new ATOM 0 HA3 GLY A 129 -7.834 10.276 12.049 1.00 11.45 H new ATOM 2041 N ASN A 130 -7.858 9.287 9.167 1.00 25.31 N ATOM 2042 CA ASN A 130 -8.423 8.372 8.163 1.00 3.53 C ATOM 2043 C ASN A 130 -7.349 7.440 7.580 1.00 61.55 C ATOM 2044 O ASN A 130 -6.813 7.689 6.499 1.00 74.02 O ATOM 2045 CB ASN A 130 -9.088 9.151 7.019 1.00 72.44 C ATOM 2046 CG ASN A 130 -10.323 9.924 7.439 1.00 42.13 C ATOM 2047 OD1 ASN A 130 -11.020 9.564 8.383 1.00 24.32 O ATOM 2048 ND2 ASN A 130 -10.628 10.973 6.705 1.00 44.10 N ATOM 0 H ASN A 130 -7.665 10.227 8.820 1.00 25.31 H new ATOM 0 HA ASN A 130 -9.173 7.768 8.673 1.00 3.53 H new ATOM 0 HB2 ASN A 130 -8.363 9.846 6.596 1.00 72.44 H new ATOM 0 HB3 ASN A 130 -9.360 8.453 6.227 1.00 72.44 H new ATOM 0 HD21 ASN A 130 -11.467 11.515 6.914 1.00 44.10 H new ATOM 0 HD22 ASN A 130 -10.026 11.244 5.928 1.00 44.10 H new ATOM 2055 N TYR A 131 -7.032 6.371 8.297 1.00 54.03 N ATOM 2056 CA TYR A 131 -6.010 5.424 7.846 1.00 4.25 C ATOM 2057 C TYR A 131 -6.495 4.596 6.643 1.00 53.02 C ATOM 2058 O TYR A 131 -5.851 4.570 5.592 1.00 54.35 O ATOM 2059 CB TYR A 131 -5.595 4.512 9.004 1.00 12.34 C ATOM 2060 CG TYR A 131 -5.116 5.282 10.223 1.00 11.45 C ATOM 2061 CD1 TYR A 131 -3.864 5.892 10.238 1.00 41.30 C ATOM 2062 CD2 TYR A 131 -5.920 5.408 11.351 1.00 13.25 C ATOM 2063 CE1 TYR A 131 -3.430 6.601 11.343 1.00 63.33 C ATOM 2064 CE2 TYR A 131 -5.491 6.114 12.458 1.00 14.24 C ATOM 2065 CZ TYR A 131 -4.246 6.709 12.449 1.00 32.25 C ATOM 2066 OH TYR A 131 -3.820 7.416 13.553 1.00 71.11 O ATOM 0 H TYR A 131 -7.463 6.134 9.191 1.00 54.03 H new ATOM 0 HA TYR A 131 -5.142 5.994 7.516 1.00 4.25 H new ATOM 0 HB2 TYR A 131 -6.441 3.885 9.286 1.00 12.34 H new ATOM 0 HB3 TYR A 131 -4.801 3.845 8.668 1.00 12.34 H new ATOM 0 HD1 TYR A 131 -3.222 5.810 9.373 1.00 41.30 H new ATOM 0 HD2 TYR A 131 -6.896 4.946 11.361 1.00 13.25 H new ATOM 0 HE1 TYR A 131 -2.456 7.068 11.340 1.00 63.33 H new ATOM 0 HE2 TYR A 131 -6.127 6.200 13.327 1.00 14.24 H new ATOM 0 HH TYR A 131 -4.515 7.395 14.243 1.00 71.11 H new ATOM 2076 N ALA A 132 -7.639 3.937 6.796 1.00 2.11 N ATOM 2077 CA ALA A 132 -8.219 3.132 5.713 1.00 51.53 C ATOM 2078 C ALA A 132 -8.579 3.992 4.491 1.00 62.23 C ATOM 2079 O ALA A 132 -8.485 3.544 3.346 1.00 54.34 O ATOM 2080 CB ALA A 132 -9.454 2.392 6.215 1.00 51.22 C ATOM 0 H ALA A 132 -8.187 3.941 7.657 1.00 2.11 H new ATOM 0 HA ALA A 132 -7.466 2.410 5.398 1.00 51.53 H new ATOM 0 HB1 ALA A 132 -9.877 1.798 5.405 1.00 51.22 H new ATOM 0 HB2 ALA A 132 -9.175 1.735 7.039 1.00 51.22 H new ATOM 0 HB3 ALA A 132 -10.195 3.113 6.561 1.00 51.22 H new ATOM 2086 N GLU A 133 -8.984 5.233 4.741 1.00 51.00 N ATOM 2087 CA GLU A 133 -9.398 6.140 3.669 1.00 41.23 C ATOM 2088 C GLU A 133 -8.186 6.663 2.878 1.00 34.54 C ATOM 2089 O GLU A 133 -8.283 6.921 1.677 1.00 1.52 O ATOM 2090 CB GLU A 133 -10.210 7.300 4.255 1.00 23.34 C ATOM 2091 CG GLU A 133 -11.293 6.856 5.241 1.00 61.10 C ATOM 2092 CD GLU A 133 -12.237 5.801 4.677 1.00 40.43 C ATOM 2093 OE1 GLU A 133 -13.258 6.176 4.061 1.00 32.24 O ATOM 2094 OE2 GLU A 133 -11.969 4.593 4.862 1.00 51.12 O ATOM 0 H GLU A 133 -9.035 5.637 5.676 1.00 51.00 H new ATOM 0 HA GLU A 133 -10.026 5.586 2.971 1.00 41.23 H new ATOM 0 HB2 GLU A 133 -9.532 7.988 4.759 1.00 23.34 H new ATOM 0 HB3 GLU A 133 -10.677 7.853 3.440 1.00 23.34 H new ATOM 0 HG2 GLU A 133 -10.816 6.462 6.138 1.00 61.10 H new ATOM 0 HG3 GLU A 133 -11.874 7.726 5.545 1.00 61.10 H new ATOM 2101 N GLY A 134 -7.048 6.810 3.556 1.00 1.53 N ATOM 2102 CA GLY A 134 -5.807 7.169 2.875 1.00 23.33 C ATOM 2103 C GLY A 134 -5.258 6.025 2.027 1.00 75.31 C ATOM 2104 O GLY A 134 -4.804 6.233 0.900 1.00 51.01 O ATOM 0 H GLY A 134 -6.961 6.687 4.565 1.00 1.53 H new ATOM 0 HA2 GLY A 134 -5.982 8.037 2.240 1.00 23.33 H new ATOM 0 HA3 GLY A 134 -5.061 7.460 3.614 1.00 23.33 H new ATOM 2108 N LEU A 135 -5.302 4.809 2.574 1.00 52.31 N ATOM 2109 CA LEU A 135 -4.877 3.611 1.843 1.00 64.41 C ATOM 2110 C LEU A 135 -5.745 3.370 0.598 1.00 65.21 C ATOM 2111 O LEU A 135 -5.230 3.121 -0.492 1.00 34.11 O ATOM 2112 CB LEU A 135 -4.934 2.381 2.758 1.00 35.52 C ATOM 2113 CG LEU A 135 -3.952 2.392 3.940 1.00 65.40 C ATOM 2114 CD1 LEU A 135 -4.172 1.176 4.832 1.00 11.31 C ATOM 2115 CD2 LEU A 135 -2.508 2.444 3.441 1.00 41.15 C ATOM 0 H LEU A 135 -5.628 4.626 3.523 1.00 52.31 H new ATOM 0 HA LEU A 135 -3.850 3.774 1.515 1.00 64.41 H new ATOM 0 HB2 LEU A 135 -5.947 2.288 3.150 1.00 35.52 H new ATOM 0 HB3 LEU A 135 -4.742 1.493 2.156 1.00 35.52 H new ATOM 0 HG LEU A 135 -4.139 3.287 4.533 1.00 65.40 H new ATOM 0 HD11 LEU A 135 -3.467 1.202 5.663 1.00 11.31 H new ATOM 0 HD12 LEU A 135 -5.191 1.189 5.220 1.00 11.31 H new ATOM 0 HD13 LEU A 135 -4.016 0.266 4.252 1.00 11.31 H new ATOM 0 HD21 LEU A 135 -1.829 2.451 4.293 1.00 41.15 H new ATOM 0 HD22 LEU A 135 -2.305 1.570 2.822 1.00 41.15 H new ATOM 0 HD23 LEU A 135 -2.359 3.348 2.851 1.00 41.15 H new ATOM 2127 N SER A 136 -7.063 3.444 0.771 1.00 41.13 N ATOM 2128 CA SER A 136 -8.006 3.250 -0.343 1.00 50.21 C ATOM 2129 C SER A 136 -7.774 4.271 -1.468 1.00 45.44 C ATOM 2130 O SER A 136 -7.902 3.938 -2.649 1.00 53.44 O ATOM 2131 CB SER A 136 -9.455 3.319 0.158 1.00 51.44 C ATOM 2132 OG SER A 136 -9.687 4.499 0.906 1.00 42.42 O ATOM 0 H SER A 136 -7.508 3.636 1.669 1.00 41.13 H new ATOM 0 HA SER A 136 -7.826 2.258 -0.757 1.00 50.21 H new ATOM 0 HB2 SER A 136 -10.137 3.285 -0.691 1.00 51.44 H new ATOM 0 HB3 SER A 136 -9.670 2.447 0.775 1.00 51.44 H new ATOM 0 HG SER A 136 -8.868 5.037 0.931 1.00 42.42 H new ATOM 2138 N GLU A 137 -7.437 5.511 -1.101 1.00 24.33 N ATOM 2139 CA GLU A 137 -7.036 6.530 -2.086 1.00 51.10 C ATOM 2140 C GLU A 137 -5.798 6.081 -2.878 1.00 52.42 C ATOM 2141 O GLU A 137 -5.777 6.154 -4.108 1.00 0.02 O ATOM 2142 CB GLU A 137 -6.751 7.877 -1.395 1.00 62.54 C ATOM 2143 CG GLU A 137 -7.995 8.711 -1.104 1.00 4.23 C ATOM 2144 CD GLU A 137 -8.666 9.229 -2.370 1.00 43.22 C ATOM 2145 OE1 GLU A 137 -8.160 10.209 -2.958 1.00 42.53 O ATOM 2146 OE2 GLU A 137 -9.698 8.659 -2.785 1.00 64.13 O ATOM 0 H GLU A 137 -7.433 5.836 -0.134 1.00 24.33 H new ATOM 0 HA GLU A 137 -7.866 6.657 -2.781 1.00 51.10 H new ATOM 0 HB2 GLU A 137 -6.228 7.687 -0.458 1.00 62.54 H new ATOM 0 HB3 GLU A 137 -6.077 8.459 -2.024 1.00 62.54 H new ATOM 0 HG2 GLU A 137 -8.708 8.108 -0.541 1.00 4.23 H new ATOM 0 HG3 GLU A 137 -7.721 9.555 -0.471 1.00 4.23 H new ATOM 2153 N GLY A 138 -4.771 5.618 -2.164 1.00 63.01 N ATOM 2154 CA GLY A 138 -3.552 5.145 -2.817 1.00 60.32 C ATOM 2155 C GLY A 138 -3.802 3.980 -3.772 1.00 40.33 C ATOM 2156 O GLY A 138 -3.378 4.011 -4.930 1.00 51.14 O ATOM 0 H GLY A 138 -4.759 5.561 -1.146 1.00 63.01 H new ATOM 0 HA2 GLY A 138 -3.098 5.969 -3.368 1.00 60.32 H new ATOM 0 HA3 GLY A 138 -2.835 4.837 -2.056 1.00 60.32 H new ATOM 2160 N VAL A 139 -4.501 2.957 -3.283 1.00 74.43 N ATOM 2161 CA VAL A 139 -4.850 1.790 -4.102 1.00 1.14 C ATOM 2162 C VAL A 139 -5.653 2.201 -5.347 1.00 43.22 C ATOM 2163 O VAL A 139 -5.344 1.787 -6.465 1.00 22.33 O ATOM 2164 CB VAL A 139 -5.673 0.764 -3.283 1.00 24.42 C ATOM 2165 CG1 VAL A 139 -6.077 -0.434 -4.146 1.00 74.24 C ATOM 2166 CG2 VAL A 139 -4.895 0.306 -2.048 1.00 4.32 C ATOM 0 H VAL A 139 -4.839 2.910 -2.322 1.00 74.43 H new ATOM 0 HA VAL A 139 -3.914 1.331 -4.420 1.00 1.14 H new ATOM 0 HB VAL A 139 -6.585 1.258 -2.948 1.00 24.42 H new ATOM 0 HG11 VAL A 139 -6.653 -1.137 -3.545 1.00 74.24 H new ATOM 0 HG12 VAL A 139 -6.684 -0.091 -4.984 1.00 74.24 H new ATOM 0 HG13 VAL A 139 -5.182 -0.928 -4.524 1.00 74.24 H new ATOM 0 HG21 VAL A 139 -5.492 -0.414 -1.488 1.00 4.32 H new ATOM 0 HG22 VAL A 139 -3.961 -0.161 -2.359 1.00 4.32 H new ATOM 0 HG23 VAL A 139 -4.677 1.167 -1.415 1.00 4.32 H new ATOM 2176 N LEU A 140 -6.681 3.022 -5.140 1.00 23.31 N ATOM 2177 CA LEU A 140 -7.517 3.514 -6.241 1.00 65.25 C ATOM 2178 C LEU A 140 -6.689 4.323 -7.252 1.00 3.43 C ATOM 2179 O LEU A 140 -6.866 4.191 -8.463 1.00 2.32 O ATOM 2180 CB LEU A 140 -8.662 4.376 -5.688 1.00 20.01 C ATOM 2181 CG LEU A 140 -9.653 4.914 -6.736 1.00 0.24 C ATOM 2182 CD1 LEU A 140 -10.335 3.765 -7.482 1.00 2.11 C ATOM 2183 CD2 LEU A 140 -10.690 5.828 -6.078 1.00 55.14 C ATOM 0 H LEU A 140 -6.958 3.363 -4.219 1.00 23.31 H new ATOM 0 HA LEU A 140 -7.934 2.651 -6.760 1.00 65.25 H new ATOM 0 HB2 LEU A 140 -9.217 3.787 -4.958 1.00 20.01 H new ATOM 0 HB3 LEU A 140 -8.231 5.222 -5.153 1.00 20.01 H new ATOM 0 HG LEU A 140 -9.093 5.502 -7.464 1.00 0.24 H new ATOM 0 HD11 LEU A 140 -11.030 4.170 -8.217 1.00 2.11 H new ATOM 0 HD12 LEU A 140 -9.581 3.162 -7.989 1.00 2.11 H new ATOM 0 HD13 LEU A 140 -10.880 3.143 -6.772 1.00 2.11 H new ATOM 0 HD21 LEU A 140 -11.381 6.198 -6.835 1.00 55.14 H new ATOM 0 HD22 LEU A 140 -11.243 5.267 -5.325 1.00 55.14 H new ATOM 0 HD23 LEU A 140 -10.185 6.670 -5.605 1.00 55.14 H new ATOM 2195 N ALA A 141 -5.778 5.151 -6.744 1.00 44.01 N ATOM 2196 CA ALA A 141 -4.906 5.969 -7.596 1.00 64.41 C ATOM 2197 C ALA A 141 -4.039 5.092 -8.514 1.00 72.10 C ATOM 2198 O ALA A 141 -3.973 5.316 -9.725 1.00 22.14 O ATOM 2199 CB ALA A 141 -4.028 6.874 -6.736 1.00 15.12 C ATOM 0 H ALA A 141 -5.622 5.276 -5.744 1.00 44.01 H new ATOM 0 HA ALA A 141 -5.539 6.590 -8.230 1.00 64.41 H new ATOM 0 HB1 ALA A 141 -3.386 7.476 -7.379 1.00 15.12 H new ATOM 0 HB2 ALA A 141 -4.659 7.531 -6.137 1.00 15.12 H new ATOM 0 HB3 ALA A 141 -3.411 6.263 -6.077 1.00 15.12 H new ATOM 2205 N VAL A 142 -3.384 4.091 -7.927 1.00 41.31 N ATOM 2206 CA VAL A 142 -2.577 3.135 -8.694 1.00 21.23 C ATOM 2207 C VAL A 142 -3.445 2.341 -9.684 1.00 1.21 C ATOM 2208 O VAL A 142 -3.073 2.157 -10.847 1.00 11.04 O ATOM 2209 CB VAL A 142 -1.834 2.149 -7.758 1.00 44.12 C ATOM 2210 CG1 VAL A 142 -1.051 1.113 -8.563 1.00 11.44 C ATOM 2211 CG2 VAL A 142 -0.913 2.908 -6.804 1.00 20.41 C ATOM 0 H VAL A 142 -3.395 3.919 -6.922 1.00 41.31 H new ATOM 0 HA VAL A 142 -1.842 3.715 -9.253 1.00 21.23 H new ATOM 0 HB VAL A 142 -2.578 1.617 -7.165 1.00 44.12 H new ATOM 0 HG11 VAL A 142 -0.539 0.434 -7.881 1.00 11.44 H new ATOM 0 HG12 VAL A 142 -1.737 0.547 -9.192 1.00 11.44 H new ATOM 0 HG13 VAL A 142 -0.317 1.619 -9.190 1.00 11.44 H new ATOM 0 HG21 VAL A 142 -0.399 2.200 -6.154 1.00 20.41 H new ATOM 0 HG22 VAL A 142 -0.178 3.472 -7.379 1.00 20.41 H new ATOM 0 HG23 VAL A 142 -1.504 3.595 -6.198 1.00 20.41 H new ATOM 2221 N GLN A 143 -4.603 1.877 -9.210 1.00 54.11 N ATOM 2222 CA GLN A 143 -5.571 1.173 -10.059 1.00 44.41 C ATOM 2223 C GLN A 143 -5.921 1.998 -11.311 1.00 63.50 C ATOM 2224 O GLN A 143 -6.012 1.462 -12.415 1.00 63.02 O ATOM 2225 CB GLN A 143 -6.848 0.856 -9.259 1.00 74.32 C ATOM 2226 CG GLN A 143 -7.926 0.134 -10.066 1.00 71.43 C ATOM 2227 CD GLN A 143 -9.169 -0.190 -9.250 1.00 4.15 C ATOM 2228 OE1 GLN A 143 -9.514 0.511 -8.307 1.00 52.10 O ATOM 2229 NE2 GLN A 143 -9.864 -1.248 -9.620 1.00 30.33 N ATOM 0 H GLN A 143 -4.896 1.976 -8.238 1.00 54.11 H new ATOM 0 HA GLN A 143 -5.113 0.240 -10.387 1.00 44.41 H new ATOM 0 HB2 GLN A 143 -6.582 0.243 -8.398 1.00 74.32 H new ATOM 0 HB3 GLN A 143 -7.262 1.787 -8.871 1.00 74.32 H new ATOM 0 HG2 GLN A 143 -8.209 0.753 -10.917 1.00 71.43 H new ATOM 0 HG3 GLN A 143 -7.512 -0.791 -10.468 1.00 71.43 H new ATOM 0 HE21 GLN A 143 -9.551 -1.813 -10.410 1.00 30.33 H new ATOM 0 HE22 GLN A 143 -10.714 -1.501 -9.116 1.00 30.33 H new ATOM 2238 N GLN A 144 -6.105 3.308 -11.130 1.00 12.33 N ATOM 2239 CA GLN A 144 -6.396 4.216 -12.249 1.00 75.00 C ATOM 2240 C GLN A 144 -5.264 4.209 -13.287 1.00 64.02 C ATOM 2241 O GLN A 144 -5.511 4.075 -14.484 1.00 33.10 O ATOM 2242 CB GLN A 144 -6.627 5.648 -11.737 1.00 11.35 C ATOM 2243 CG GLN A 144 -7.884 5.806 -10.882 1.00 70.41 C ATOM 2244 CD GLN A 144 -9.165 5.520 -11.654 1.00 42.20 C ATOM 2245 OE1 GLN A 144 -9.244 5.737 -12.858 1.00 2.32 O ATOM 2246 NE2 GLN A 144 -10.177 5.029 -10.966 1.00 31.15 N ATOM 0 H GLN A 144 -6.058 3.767 -10.220 1.00 12.33 H new ATOM 0 HA GLN A 144 -7.305 3.858 -12.733 1.00 75.00 H new ATOM 0 HB2 GLN A 144 -5.761 5.958 -11.153 1.00 11.35 H new ATOM 0 HB3 GLN A 144 -6.693 6.322 -12.591 1.00 11.35 H new ATOM 0 HG2 GLN A 144 -7.823 5.133 -10.027 1.00 70.41 H new ATOM 0 HG3 GLN A 144 -7.923 6.821 -10.486 1.00 70.41 H new ATOM 0 HE21 GLN A 144 -10.079 4.860 -9.965 1.00 31.15 H new ATOM 0 HE22 GLN A 144 -11.058 4.818 -11.435 1.00 31.15 H new ATOM 2255 N VAL A 145 -4.023 4.343 -12.820 1.00 1.31 N ATOM 2256 CA VAL A 145 -2.857 4.372 -13.714 1.00 74.42 C ATOM 2257 C VAL A 145 -2.706 3.060 -14.510 1.00 40.24 C ATOM 2258 O VAL A 145 -2.555 3.076 -15.734 1.00 31.14 O ATOM 2259 CB VAL A 145 -1.546 4.648 -12.928 1.00 53.22 C ATOM 2260 CG1 VAL A 145 -0.341 4.718 -13.870 1.00 11.21 C ATOM 2261 CG2 VAL A 145 -1.668 5.931 -12.107 1.00 72.03 C ATOM 0 H VAL A 145 -3.795 4.433 -11.830 1.00 1.31 H new ATOM 0 HA VAL A 145 -3.032 5.186 -14.417 1.00 74.42 H new ATOM 0 HB VAL A 145 -1.385 3.817 -12.242 1.00 53.22 H new ATOM 0 HG11 VAL A 145 0.562 4.912 -13.292 1.00 11.21 H new ATOM 0 HG12 VAL A 145 -0.237 3.770 -14.398 1.00 11.21 H new ATOM 0 HG13 VAL A 145 -0.489 5.521 -14.592 1.00 11.21 H new ATOM 0 HG21 VAL A 145 -0.739 6.105 -11.564 1.00 72.03 H new ATOM 0 HG22 VAL A 145 -1.863 6.772 -12.773 1.00 72.03 H new ATOM 0 HG23 VAL A 145 -2.489 5.832 -11.397 1.00 72.03 H new ATOM 2271 N LEU A 146 -2.760 1.926 -13.814 1.00 53.10 N ATOM 2272 CA LEU A 146 -2.588 0.616 -14.458 1.00 62.15 C ATOM 2273 C LEU A 146 -3.791 0.255 -15.348 1.00 35.34 C ATOM 2274 O LEU A 146 -3.643 0.028 -16.554 1.00 22.42 O ATOM 2275 CB LEU A 146 -2.383 -0.474 -13.395 1.00 32.11 C ATOM 2276 CG LEU A 146 -1.154 -0.289 -12.489 1.00 72.41 C ATOM 2277 CD1 LEU A 146 -1.062 -1.414 -11.461 1.00 44.12 C ATOM 2278 CD2 LEU A 146 0.125 -0.209 -13.320 1.00 43.43 C ATOM 0 H LEU A 146 -2.921 1.883 -12.808 1.00 53.10 H new ATOM 0 HA LEU A 146 -1.705 0.677 -15.095 1.00 62.15 H new ATOM 0 HB2 LEU A 146 -3.273 -0.517 -12.767 1.00 32.11 H new ATOM 0 HB3 LEU A 146 -2.301 -1.437 -13.898 1.00 32.11 H new ATOM 0 HG LEU A 146 -1.269 0.652 -11.951 1.00 72.41 H new ATOM 0 HD11 LEU A 146 -0.185 -1.261 -10.832 1.00 44.12 H new ATOM 0 HD12 LEU A 146 -1.958 -1.414 -10.840 1.00 44.12 H new ATOM 0 HD13 LEU A 146 -0.977 -2.371 -11.976 1.00 44.12 H new ATOM 0 HD21 LEU A 146 0.981 -0.078 -12.658 1.00 43.43 H new ATOM 0 HD22 LEU A 146 0.246 -1.129 -13.892 1.00 43.43 H new ATOM 0 HD23 LEU A 146 0.062 0.637 -14.004 1.00 43.43 H new ATOM 2290 N ASP A 147 -4.983 0.236 -14.753 1.00 4.24 N ATOM 2291 CA ASP A 147 -6.204 -0.165 -15.463 1.00 42.24 C ATOM 2292 C ASP A 147 -6.626 0.885 -16.509 1.00 41.13 C ATOM 2293 O ASP A 147 -7.379 0.588 -17.438 1.00 23.11 O ATOM 2294 CB ASP A 147 -7.325 -0.408 -14.444 1.00 31.33 C ATOM 2295 CG ASP A 147 -8.595 -0.948 -15.077 1.00 71.05 C ATOM 2296 OD1 ASP A 147 -8.527 -1.997 -15.752 1.00 11.52 O ATOM 2297 OD2 ASP A 147 -9.664 -0.324 -14.905 1.00 13.54 O ATOM 0 H ASP A 147 -5.133 0.494 -13.778 1.00 4.24 H new ATOM 0 HA ASP A 147 -6.004 -1.088 -16.007 1.00 42.24 H new ATOM 0 HB2 ASP A 147 -6.975 -1.111 -13.688 1.00 31.33 H new ATOM 0 HB3 ASP A 147 -7.551 0.527 -13.930 1.00 31.33 H new ATOM 2302 N GLY A 148 -6.136 2.112 -16.349 1.00 25.34 N ATOM 2303 CA GLY A 148 -6.390 3.158 -17.331 1.00 63.40 C ATOM 2304 C GLY A 148 -5.463 3.073 -18.544 1.00 13.43 C ATOM 2305 O GLY A 148 -5.744 3.662 -19.591 1.00 22.34 O ATOM 0 H GLY A 148 -5.566 2.403 -15.555 1.00 25.34 H new ATOM 0 HA2 GLY A 148 -7.425 3.091 -17.666 1.00 63.40 H new ATOM 0 HA3 GLY A 148 -6.271 4.132 -16.856 1.00 63.40 H new ATOM 2309 N SER A 149 -4.353 2.341 -18.404 1.00 70.31 N ATOM 2310 CA SER A 149 -3.389 2.168 -19.504 1.00 33.35 C ATOM 2311 C SER A 149 -3.780 1.003 -20.424 1.00 42.32 C ATOM 2312 O SER A 149 -4.080 1.220 -21.598 1.00 44.20 O ATOM 2313 CB SER A 149 -1.970 1.955 -18.954 1.00 50.05 C ATOM 2314 OG SER A 149 -1.478 3.134 -18.332 1.00 51.31 O ATOM 0 H SER A 149 -4.097 1.858 -17.543 1.00 70.31 H new ATOM 0 HA SER A 149 -3.406 3.083 -20.097 1.00 33.35 H new ATOM 0 HB2 SER A 149 -1.975 1.136 -18.235 1.00 50.05 H new ATOM 0 HB3 SER A 149 -1.303 1.663 -19.765 1.00 50.05 H new ATOM 0 HG SER A 149 -1.816 3.185 -17.414 1.00 51.31 H new ATOM 2320 N LEU A 150 -3.766 -0.226 -19.886 1.00 34.04 N ATOM 2321 CA LEU A 150 -4.196 -1.442 -20.620 1.00 24.52 C ATOM 2322 C LEU A 150 -3.222 -1.883 -21.736 1.00 62.14 C ATOM 2323 O LEU A 150 -2.759 -3.023 -21.744 1.00 74.41 O ATOM 2324 CB LEU A 150 -5.601 -1.246 -21.223 1.00 70.43 C ATOM 2325 CG LEU A 150 -6.729 -1.027 -20.204 1.00 1.33 C ATOM 2326 CD1 LEU A 150 -8.065 -0.814 -20.911 1.00 63.33 C ATOM 2327 CD2 LEU A 150 -6.805 -2.210 -19.243 1.00 15.53 C ATOM 0 H LEU A 150 -3.458 -0.412 -18.932 1.00 34.04 H new ATOM 0 HA LEU A 150 -4.206 -2.238 -19.875 1.00 24.52 H new ATOM 0 HB2 LEU A 150 -5.572 -0.390 -21.898 1.00 70.43 H new ATOM 0 HB3 LEU A 150 -5.844 -2.120 -21.827 1.00 70.43 H new ATOM 0 HG LEU A 150 -6.509 -0.127 -19.630 1.00 1.33 H new ATOM 0 HD11 LEU A 150 -8.849 -0.661 -20.169 1.00 63.33 H new ATOM 0 HD12 LEU A 150 -8.000 0.062 -21.556 1.00 63.33 H new ATOM 0 HD13 LEU A 150 -8.302 -1.691 -21.513 1.00 63.33 H new ATOM 0 HD21 LEU A 150 -7.608 -2.044 -18.525 1.00 15.53 H new ATOM 0 HD22 LEU A 150 -7.003 -3.123 -19.805 1.00 15.53 H new ATOM 0 HD23 LEU A 150 -5.858 -2.309 -18.712 1.00 15.53 H new ATOM 2339 N GLU A 151 -2.899 -0.962 -22.643 1.00 21.00 N ATOM 2340 CA GLU A 151 -2.216 -1.260 -23.919 1.00 61.41 C ATOM 2341 C GLU A 151 -1.126 -2.338 -23.818 1.00 31.31 C ATOM 2342 O GLU A 151 -0.989 -3.178 -24.706 1.00 30.15 O ATOM 2343 CB GLU A 151 -1.575 0.019 -24.472 1.00 45.15 C ATOM 2344 CG GLU A 151 -0.851 -0.178 -25.807 1.00 2.22 C ATOM 2345 CD GLU A 151 0.225 0.865 -26.050 1.00 63.21 C ATOM 2346 OE1 GLU A 151 -0.106 1.984 -26.488 1.00 64.04 O ATOM 2347 OE2 GLU A 151 1.413 0.570 -25.789 1.00 74.14 O ATOM 0 H GLU A 151 -3.104 0.029 -22.518 1.00 21.00 H new ATOM 0 HA GLU A 151 -2.990 -1.649 -24.581 1.00 61.41 H new ATOM 0 HB2 GLU A 151 -2.349 0.777 -24.598 1.00 45.15 H new ATOM 0 HB3 GLU A 151 -0.867 0.405 -23.739 1.00 45.15 H new ATOM 0 HG2 GLU A 151 -0.401 -1.170 -25.828 1.00 2.22 H new ATOM 0 HG3 GLU A 151 -1.578 -0.140 -26.619 1.00 2.22 H new ATOM 2354 N HIS A 152 -0.361 -2.320 -22.739 1.00 73.13 N ATOM 2355 CA HIS A 152 0.874 -3.100 -22.672 1.00 34.20 C ATOM 2356 C HIS A 152 0.856 -4.150 -21.540 1.00 42.30 C ATOM 2357 O HIS A 152 1.896 -4.469 -20.960 1.00 24.20 O ATOM 2358 CB HIS A 152 2.039 -2.118 -22.504 1.00 20.04 C ATOM 2359 CG HIS A 152 3.395 -2.715 -22.738 1.00 35.33 C ATOM 2360 ND1 HIS A 152 3.844 -3.078 -23.989 1.00 23.43 N ATOM 2361 CD2 HIS A 152 4.409 -2.995 -21.882 1.00 45.40 C ATOM 2362 CE1 HIS A 152 5.068 -3.556 -23.894 1.00 11.23 C ATOM 2363 NE2 HIS A 152 5.434 -3.517 -22.630 1.00 4.04 N ATOM 0 H HIS A 152 -0.567 -1.779 -21.900 1.00 73.13 H new ATOM 0 HA HIS A 152 0.985 -3.671 -23.594 1.00 34.20 H new ATOM 0 HB2 HIS A 152 1.898 -1.286 -23.194 1.00 20.04 H new ATOM 0 HB3 HIS A 152 2.007 -1.705 -21.496 1.00 20.04 H new ATOM 0 HD2 HIS A 152 4.410 -2.837 -20.814 1.00 45.40 H new ATOM 0 HE1 HIS A 152 5.670 -3.919 -24.714 1.00 11.23 H new ATOM 0 HE2 HIS A 152 6.335 -3.825 -22.265 1.00 4.04 H new ATOM 2372 N HIS A 153 -0.317 -4.714 -21.242 1.00 73.22 N ATOM 2373 CA HIS A 153 -0.405 -5.771 -20.222 1.00 24.11 C ATOM 2374 C HIS A 153 0.019 -7.140 -20.805 1.00 70.30 C ATOM 2375 O HIS A 153 -0.712 -7.761 -21.579 1.00 31.53 O ATOM 2376 CB HIS A 153 -1.820 -5.847 -19.600 1.00 13.13 C ATOM 2377 CG HIS A 153 -2.898 -6.357 -20.519 1.00 53.34 C ATOM 2378 ND1 HIS A 153 -3.197 -7.699 -20.664 1.00 0.45 N ATOM 2379 CD2 HIS A 153 -3.763 -5.701 -21.327 1.00 54.33 C ATOM 2380 CE1 HIS A 153 -4.190 -7.840 -21.516 1.00 72.25 C ATOM 2381 NE2 HIS A 153 -4.551 -6.645 -21.931 1.00 53.11 N ATOM 0 H HIS A 153 -1.204 -4.466 -21.680 1.00 73.22 H new ATOM 0 HA HIS A 153 0.290 -5.513 -19.423 1.00 24.11 H new ATOM 0 HB2 HIS A 153 -1.779 -6.491 -18.722 1.00 13.13 H new ATOM 0 HB3 HIS A 153 -2.101 -4.853 -19.253 1.00 13.13 H new ATOM 0 HD2 HIS A 153 -3.821 -4.632 -21.469 1.00 54.33 H new ATOM 0 HE1 HIS A 153 -4.633 -8.776 -21.822 1.00 72.25 H new ATOM 0 HE2 HIS A 153 -5.299 -6.452 -22.597 1.00 53.11 H new ATOM 2390 N HIS A 154 1.223 -7.591 -20.452 1.00 41.14 N ATOM 2391 CA HIS A 154 1.734 -8.888 -20.926 1.00 2.24 C ATOM 2392 C HIS A 154 1.477 -10.004 -19.904 1.00 21.11 C ATOM 2393 O HIS A 154 1.760 -9.854 -18.712 1.00 12.54 O ATOM 2394 CB HIS A 154 3.233 -8.796 -21.252 1.00 22.02 C ATOM 2395 CG HIS A 154 4.062 -8.156 -20.179 1.00 60.33 C ATOM 2396 ND1 HIS A 154 4.350 -6.807 -20.159 1.00 13.14 N ATOM 2397 CD2 HIS A 154 4.678 -8.681 -19.092 1.00 72.40 C ATOM 2398 CE1 HIS A 154 5.103 -6.532 -19.112 1.00 71.12 C ATOM 2399 NE2 HIS A 154 5.317 -7.650 -18.450 1.00 60.03 N ATOM 0 H HIS A 154 1.864 -7.084 -19.842 1.00 41.14 H new ATOM 0 HA HIS A 154 1.192 -9.139 -21.838 1.00 2.24 H new ATOM 0 HB2 HIS A 154 3.614 -9.800 -21.438 1.00 22.02 H new ATOM 0 HB3 HIS A 154 3.357 -8.231 -22.176 1.00 22.02 H new ATOM 0 HD2 HIS A 154 4.668 -9.717 -18.788 1.00 72.40 H new ATOM 0 HE1 HIS A 154 5.480 -5.556 -18.843 1.00 71.12 H new ATOM 0 HE2 HIS A 154 5.869 -7.736 -17.597 1.00 60.03 H new ATOM 2408 N HIS A 155 0.945 -11.126 -20.381 1.00 34.33 N ATOM 2409 CA HIS A 155 0.615 -12.262 -19.519 1.00 22.20 C ATOM 2410 C HIS A 155 1.113 -13.585 -20.128 1.00 22.53 C ATOM 2411 O HIS A 155 0.343 -14.347 -20.713 1.00 71.40 O ATOM 2412 CB HIS A 155 -0.905 -12.295 -19.275 1.00 23.31 C ATOM 2413 CG HIS A 155 -1.408 -13.523 -18.573 1.00 70.41 C ATOM 2414 ND1 HIS A 155 -2.421 -14.312 -19.076 1.00 61.02 N ATOM 2415 CD2 HIS A 155 -1.039 -14.099 -17.404 1.00 72.44 C ATOM 2416 CE1 HIS A 155 -2.649 -15.313 -18.252 1.00 65.13 C ATOM 2417 NE2 HIS A 155 -1.826 -15.211 -17.231 1.00 72.13 N ATOM 0 H HIS A 155 0.731 -11.275 -21.367 1.00 34.33 H new ATOM 0 HA HIS A 155 1.123 -12.141 -18.562 1.00 22.20 H new ATOM 0 HB2 HIS A 155 -1.183 -11.420 -18.688 1.00 23.31 H new ATOM 0 HB3 HIS A 155 -1.414 -12.209 -20.235 1.00 23.31 H new ATOM 0 HD2 HIS A 155 -0.269 -13.749 -16.733 1.00 72.44 H new ATOM 0 HE1 HIS A 155 -3.388 -16.088 -18.391 1.00 65.13 H new ATOM 0 HE2 HIS A 155 -1.780 -15.853 -16.440 1.00 72.13 H new ATOM 2426 N HIS A 156 2.416 -13.837 -20.018 1.00 52.31 N ATOM 2427 CA HIS A 156 2.995 -15.112 -20.464 1.00 1.13 C ATOM 2428 C HIS A 156 3.333 -16.012 -19.265 1.00 15.01 C ATOM 2429 O HIS A 156 3.567 -17.210 -19.421 1.00 35.11 O ATOM 2430 CB HIS A 156 4.245 -14.866 -21.323 1.00 61.42 C ATOM 2431 CG HIS A 156 4.861 -16.121 -21.876 1.00 50.23 C ATOM 2432 ND1 HIS A 156 4.277 -16.874 -22.877 1.00 71.24 N ATOM 2433 CD2 HIS A 156 6.013 -16.760 -21.560 1.00 43.52 C ATOM 2434 CE1 HIS A 156 5.041 -17.912 -23.150 1.00 13.45 C ATOM 2435 NE2 HIS A 156 6.096 -17.866 -22.368 1.00 52.55 N ATOM 0 H HIS A 156 3.092 -13.181 -19.626 1.00 52.31 H new ATOM 0 HA HIS A 156 2.252 -15.626 -21.074 1.00 1.13 H new ATOM 0 HB2 HIS A 156 3.981 -14.207 -22.150 1.00 61.42 H new ATOM 0 HB3 HIS A 156 4.989 -14.342 -20.723 1.00 61.42 H new ATOM 0 HD2 HIS A 156 6.731 -16.456 -20.813 1.00 43.52 H new ATOM 0 HE1 HIS A 156 4.835 -18.671 -23.890 1.00 13.45 H new ATOM 0 HE2 HIS A 156 6.857 -18.545 -22.362 1.00 52.55 H new ATOM 2444 N HIS A 157 3.349 -15.425 -18.069 1.00 2.34 N ATOM 2445 CA HIS A 157 3.616 -16.170 -16.829 1.00 31.34 C ATOM 2446 C HIS A 157 2.304 -16.703 -16.220 1.00 31.34 C ATOM 2447 O HIS A 157 2.106 -17.939 -16.184 1.00 37.97 O ATOM 2448 CB HIS A 157 4.336 -15.276 -15.807 1.00 41.53 C ATOM 2449 CG HIS A 157 5.598 -14.655 -16.326 1.00 20.31 C ATOM 2450 ND1 HIS A 157 6.840 -15.234 -16.183 1.00 24.11 N ATOM 2451 CD2 HIS A 157 5.808 -13.490 -16.984 1.00 13.51 C ATOM 2452 CE1 HIS A 157 7.753 -14.458 -16.727 1.00 31.10 C ATOM 2453 NE2 HIS A 157 7.157 -13.396 -17.220 1.00 65.25 N ATOM 2454 OXT HIS A 157 1.461 -15.871 -15.808 1.00 37.97 O ATOM 0 H HIS A 157 3.180 -14.429 -17.927 1.00 2.34 H new ATOM 0 HA HIS A 157 4.258 -17.015 -17.076 1.00 31.34 H new ATOM 0 HB2 HIS A 157 3.657 -14.485 -15.489 1.00 41.53 H new ATOM 0 HB3 HIS A 157 4.571 -15.868 -14.923 1.00 41.53 H new ATOM 0 HD2 HIS A 157 5.055 -12.770 -17.269 1.00 13.51 H new ATOM 0 HE1 HIS A 157 8.813 -14.660 -16.762 1.00 31.10 H new ATOM 0 HE2 HIS A 157 7.622 -12.626 -17.701 1.00 65.25 H new TER 2463 HIS A 157