USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 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 151 SER OG : rot 98:sc= 0.877 USER MOD Set 1.2: A 154 THR OG1 : rot 160:sc= -0.925! USER MOD Set 2.1: A 148 CYS SG : rot 120:sc= -0.0139 USER MOD Set 2.2: A 160 HIS : no HD1:sc= -0.0123 X(o=-0.026,f=-0.02) USER MOD Set 3.1: A 79 THR OG1 : rot -130:sc= 0.669 USER MOD Set 3.2: A 175 LYS NZ :NH3+ 159:sc= 0.518 (180deg=-0.0648!) USER MOD Set 4.1: A 62 THR OG1 : rot 10:sc= 0.0121 USER MOD Set 4.2: A 69 THR OG1 : rot -79:sc= 1.12 USER MOD Set 5.1: A 49 GLN : amide:sc= -2.57! K(o=-4.6!,f=-2.8) USER MOD Set 5.2: A 58 THR OG1 : rot 180:sc= -1.98! USER MOD Set 6.1: A 34 THR OG1 : rot 37:sc= 0.673 USER MOD Set 6.2: A 51 THR OG1 : rot -137:sc= -0.137! USER MOD Set 7.1: A 21 LYS NZ :NH3+ 180:sc= 0.777 (180deg=-0.443) USER MOD Set 7.2: A 95 GLN : amide:sc= -1.32! C(o=-0.54!,f=-9.9!) USER MOD Set 8.1: A 16 HIS : no HD1:sc= -7.66! C(o=-18!,f=-19!) USER MOD Set 8.2: A 19 HIS : no HD1:sc= -7.06! C(o=-18!,f=-31!) USER MOD Set 8.3: A 96 THR OG1 : rot -167:sc= -3.74! USER MOD Set 9.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 9.2: A 4 MET CE :methyl 150:sc= -0.337 (180deg=-1.25) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 1.2 (180deg=1.12) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 141:sc= -1.8 (180deg=-3.71!) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.157 USER MOD Single : A 23 THR OG1 : rot -133:sc= -0.904! USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 31 SER OG : rot 56:sc= 0.0718 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -1.6! (180deg=-2.43!) USER MOD Single : A 36 GLN : amide:sc= -0.397 K(o=-0.4,f=-2.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.34) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 53 ASN : amide:sc= 0.15 K(o=0.15,f=-9.3!) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0.817 (180deg=0.395) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc=-0.00299 (180deg=-0.0761) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 71 MET CE :methyl 157:sc= 0 (180deg=-0.416) USER MOD Single : A 77 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 93 MET CE :methyl -124:sc= -0.0201 (180deg=-0.319) USER MOD Single : A 101 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.6!) USER MOD Single : A 102 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-0.082) USER MOD Single : A 104 LYS NZ :NH3+ 128:sc= 2.23 (180deg=-0.248) USER MOD Single : A 107 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.4!) USER MOD Single : A 115 ASN : amide:sc= -3.98! C(o=-4!,f=-10!) USER MOD Single : A 116 LYS NZ :NH3+ -125:sc= 0.385 (180deg=-0.00672) USER MOD Single : A 117 MET CE :methyl -168:sc= -8.14! (180deg=-9.18!) USER MOD Single : A 119 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.15) USER MOD Single : A 123 ASN : amide:sc= -2.34 K(o=-2.3,f=-0.89) USER MOD Single : A 128 MET CE :methyl -114:sc= -3.3 (180deg=-6.4!) USER MOD Single : A 129 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.064) USER MOD Single : A 132 MET CE :methyl -159:sc= -0.395 (180deg=-1.33) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.1) USER MOD Single : A 145 THR OG1 : rot -4:sc= 0.216 USER MOD Single : A 149 LYS NZ :NH3+ 158:sc= 0.431 (180deg=0.29) USER MOD Single : A 153 LYS NZ :NH3+ 169:sc= 0.457 (180deg=0.186) USER MOD Single : A 155 LYS NZ :NH3+ 158:sc= -0.339 (180deg=-1.09) USER MOD Single : A 164 MET CE :methyl -160:sc= -3.04! (180deg=-4.43!) USER MOD Single : A 169 SER OG : rot 68:sc= 0.847 USER MOD Single : A 171 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 177 ASN : amide:sc= -0.567 K(o=-0.57,f=-5.3!) USER MOD Single : A 179 GDP O2' : rot -16:sc= 0.155 USER MOD Single : A 179 GDP O3' : rot 180:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.307 0.762 -12.428 1.00 11.58 N ATOM 2 CA GLY A 1 -27.851 -0.402 -11.632 1.00 11.11 C ATOM 3 C GLY A 1 -27.704 -1.649 -12.479 1.00 10.21 C ATOM 4 O GLY A 1 -28.090 -2.742 -12.059 1.00 9.82 O ATOM 0 H1 GLY A 1 -28.410 1.589 -11.806 1.00 11.58 H new ATOM 0 H2 GLY A 1 -27.608 0.971 -13.169 1.00 11.58 H new ATOM 0 H3 GLY A 1 -29.223 0.544 -12.869 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -26.895 -0.168 -11.163 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -28.562 -0.592 -10.828 1.00 11.11 H new ATOM 10 N SER A 2 -27.143 -1.492 -13.670 1.00 10.08 N ATOM 11 CA SER A 2 -26.949 -2.604 -14.581 1.00 9.47 C ATOM 12 C SER A 2 -25.677 -3.364 -14.219 1.00 8.68 C ATOM 13 O SER A 2 -24.587 -2.790 -14.184 1.00 8.69 O ATOM 14 CB SER A 2 -26.874 -2.096 -16.027 1.00 9.96 C ATOM 15 OG SER A 2 -26.698 -3.162 -16.942 1.00 10.61 O ATOM 0 H SER A 2 -26.813 -0.596 -14.027 1.00 10.08 H new ATOM 0 HA SER A 2 -27.797 -3.283 -14.494 1.00 9.47 H new ATOM 0 HB2 SER A 2 -27.787 -1.553 -16.271 1.00 9.96 H new ATOM 0 HB3 SER A 2 -26.048 -1.391 -16.124 1.00 9.96 H new ATOM 0 HG SER A 2 -26.656 -2.806 -17.854 1.00 10.61 H new ATOM 21 N HIS A 3 -25.827 -4.654 -13.945 1.00 8.25 N ATOM 22 CA HIS A 3 -24.697 -5.505 -13.589 1.00 7.71 C ATOM 23 C HIS A 3 -23.913 -5.877 -14.841 1.00 6.90 C ATOM 24 O HIS A 3 -23.951 -7.021 -15.300 1.00 6.93 O ATOM 25 CB HIS A 3 -25.177 -6.764 -12.861 1.00 8.30 C ATOM 26 CG HIS A 3 -25.858 -6.482 -11.554 1.00 8.89 C ATOM 27 ND1 HIS A 3 -25.245 -6.648 -10.333 1.00 9.51 N ATOM 28 CD2 HIS A 3 -27.110 -6.042 -11.284 1.00 9.23 C ATOM 29 CE1 HIS A 3 -26.088 -6.320 -9.370 1.00 10.14 C ATOM 30 NE2 HIS A 3 -27.227 -5.947 -9.922 1.00 9.99 N ATOM 0 H HIS A 3 -26.725 -5.137 -13.963 1.00 8.25 H new ATOM 0 HA HIS A 3 -24.042 -4.953 -12.914 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -25.864 -7.308 -13.509 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -24.323 -7.417 -12.682 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -27.876 -5.809 -12.009 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -25.880 -6.352 -8.311 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -28.058 -5.639 -9.418 1.00 9.99 H new ATOM 39 N MET A 4 -23.221 -4.891 -15.395 1.00 6.50 N ATOM 40 CA MET A 4 -22.451 -5.070 -16.616 1.00 6.05 C ATOM 41 C MET A 4 -21.467 -3.921 -16.794 1.00 5.19 C ATOM 42 O MET A 4 -20.256 -4.105 -16.687 1.00 5.17 O ATOM 43 CB MET A 4 -23.390 -5.151 -17.822 1.00 6.67 C ATOM 44 CG MET A 4 -22.674 -5.236 -19.161 1.00 7.26 C ATOM 45 SD MET A 4 -23.815 -5.260 -20.558 1.00 8.18 S ATOM 46 CE MET A 4 -24.757 -3.768 -20.247 1.00 8.77 C ATOM 0 H MET A 4 -23.178 -3.947 -15.011 1.00 6.50 H new ATOM 0 HA MET A 4 -21.890 -6.001 -16.542 1.00 6.05 H new ATOM 0 HB2 MET A 4 -24.033 -6.024 -17.710 1.00 6.67 H new ATOM 0 HB3 MET A 4 -24.038 -4.275 -17.824 1.00 6.67 H new ATOM 0 HG2 MET A 4 -21.999 -4.386 -19.262 1.00 7.26 H new ATOM 0 HG3 MET A 4 -22.059 -6.136 -19.183 1.00 7.26 H new ATOM 0 HE1 MET A 4 -25.096 -3.348 -21.194 1.00 8.77 H new ATOM 0 HE2 MET A 4 -25.620 -4.006 -19.626 1.00 8.77 H new ATOM 0 HE3 MET A 4 -24.128 -3.042 -19.732 1.00 8.77 H new ATOM 56 N VAL A 5 -21.994 -2.731 -17.058 1.00 4.89 N ATOM 57 CA VAL A 5 -21.161 -1.558 -17.289 1.00 4.47 C ATOM 58 C VAL A 5 -20.965 -0.758 -16.002 1.00 4.02 C ATOM 59 O VAL A 5 -19.896 -0.193 -15.762 1.00 4.26 O ATOM 60 CB VAL A 5 -21.767 -0.658 -18.399 1.00 5.11 C ATOM 61 CG1 VAL A 5 -23.177 -0.216 -18.039 1.00 5.46 C ATOM 62 CG2 VAL A 5 -20.881 0.546 -18.673 1.00 5.74 C ATOM 0 H VAL A 5 -22.997 -2.553 -17.117 1.00 4.89 H new ATOM 0 HA VAL A 5 -20.184 -1.907 -17.624 1.00 4.47 H new ATOM 0 HB VAL A 5 -21.822 -1.253 -19.311 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -23.576 0.413 -18.835 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -23.813 -1.093 -17.916 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -23.154 0.349 -17.107 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -21.331 1.158 -19.455 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -20.779 1.137 -17.763 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -19.897 0.207 -18.998 1.00 5.74 H new ATOM 72 N GLU A 6 -21.995 -0.731 -15.166 1.00 3.71 N ATOM 73 CA GLU A 6 -21.926 -0.015 -13.904 1.00 3.56 C ATOM 74 C GLU A 6 -21.241 -0.879 -12.855 1.00 3.07 C ATOM 75 O GLU A 6 -21.878 -1.681 -12.172 1.00 3.23 O ATOM 76 CB GLU A 6 -23.326 0.383 -13.444 1.00 4.14 C ATOM 77 CG GLU A 6 -24.065 1.247 -14.453 1.00 4.54 C ATOM 78 CD GLU A 6 -25.421 1.696 -13.959 1.00 5.11 C ATOM 79 OE1 GLU A 6 -26.410 0.978 -14.195 1.00 5.70 O ATOM 80 OE2 GLU A 6 -25.500 2.769 -13.325 1.00 5.29 O ATOM 0 H GLU A 6 -22.886 -1.197 -15.341 1.00 3.71 H new ATOM 0 HA GLU A 6 -21.341 0.894 -14.043 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -23.908 -0.518 -13.252 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -23.252 0.922 -12.499 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -23.460 2.123 -14.686 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -24.188 0.689 -15.381 1.00 4.54 H new ATOM 87 N ARG A 7 -19.933 -0.720 -12.746 1.00 2.85 N ATOM 88 CA ARG A 7 -19.130 -1.546 -11.861 1.00 2.62 C ATOM 89 C ARG A 7 -18.976 -0.898 -10.491 1.00 2.19 C ATOM 90 O ARG A 7 -18.459 0.215 -10.377 1.00 2.44 O ATOM 91 CB ARG A 7 -17.756 -1.792 -12.483 1.00 3.27 C ATOM 92 CG ARG A 7 -17.815 -2.595 -13.766 1.00 3.86 C ATOM 93 CD ARG A 7 -16.448 -2.718 -14.414 1.00 4.69 C ATOM 94 NE ARG A 7 -16.473 -3.620 -15.565 1.00 5.27 N ATOM 95 CZ ARG A 7 -15.448 -3.800 -16.394 1.00 6.08 C ATOM 96 NH1 ARG A 7 -14.334 -3.093 -16.252 1.00 6.40 N ATOM 97 NH2 ARG A 7 -15.545 -4.680 -17.382 1.00 6.85 N ATOM 0 H ARG A 7 -19.401 -0.020 -13.264 1.00 2.85 H new ATOM 0 HA ARG A 7 -19.642 -2.499 -11.727 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -17.279 -0.833 -12.684 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -17.127 -2.316 -11.763 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -18.209 -3.589 -13.555 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -18.506 -2.119 -14.462 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -16.106 -1.733 -14.731 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -15.729 -3.084 -13.681 1.00 4.69 H new ATOM 0 HE ARG A 7 -17.330 -4.144 -15.743 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -14.259 -2.405 -15.503 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -13.553 -3.238 -16.892 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -16.404 -5.217 -17.505 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -14.761 -4.820 -18.019 1.00 6.85 H new ATOM 111 N PRO A 8 -19.460 -1.572 -9.438 1.00 2.01 N ATOM 112 CA PRO A 8 -19.264 -1.147 -8.060 1.00 2.04 C ATOM 113 C PRO A 8 -17.901 -1.591 -7.540 1.00 1.71 C ATOM 114 O PRO A 8 -17.642 -2.788 -7.404 1.00 1.69 O ATOM 115 CB PRO A 8 -20.398 -1.851 -7.288 1.00 2.57 C ATOM 116 CG PRO A 8 -21.152 -2.661 -8.299 1.00 2.80 C ATOM 117 CD PRO A 8 -20.257 -2.798 -9.499 1.00 2.42 C ATOM 0 HA PRO A 8 -19.289 -0.063 -7.950 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -19.996 -2.488 -6.500 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -21.051 -1.123 -6.807 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -21.410 -3.640 -7.895 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -22.087 -2.170 -8.568 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -19.634 -3.691 -9.442 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -20.827 -2.866 -10.425 1.00 2.42 H new ATOM 125 N PRO A 9 -17.001 -0.636 -7.264 1.00 1.83 N ATOM 126 CA PRO A 9 -15.643 -0.944 -6.811 1.00 1.84 C ATOM 127 C PRO A 9 -15.622 -1.666 -5.466 1.00 1.40 C ATOM 128 O PRO A 9 -16.095 -1.137 -4.457 1.00 1.72 O ATOM 129 CB PRO A 9 -14.974 0.428 -6.693 1.00 2.47 C ATOM 130 CG PRO A 9 -16.099 1.400 -6.579 1.00 2.76 C ATOM 131 CD PRO A 9 -17.234 0.815 -7.369 1.00 2.36 C ATOM 0 HA PRO A 9 -15.136 -1.618 -7.501 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -14.322 0.475 -5.821 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -14.355 0.641 -7.565 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -16.384 1.547 -5.537 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -15.813 2.376 -6.971 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -18.202 1.099 -6.955 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -17.219 1.152 -8.406 1.00 2.36 H new ATOM 139 N VAL A 10 -15.093 -2.880 -5.463 1.00 1.18 N ATOM 140 CA VAL A 10 -14.939 -3.644 -4.235 1.00 0.94 C ATOM 141 C VAL A 10 -13.593 -3.316 -3.607 1.00 0.94 C ATOM 142 O VAL A 10 -12.577 -3.951 -3.899 1.00 1.76 O ATOM 143 CB VAL A 10 -15.045 -5.166 -4.485 1.00 1.25 C ATOM 144 CG1 VAL A 10 -14.978 -5.941 -3.176 1.00 1.90 C ATOM 145 CG2 VAL A 10 -16.326 -5.498 -5.234 1.00 2.00 C ATOM 0 H VAL A 10 -14.762 -3.359 -6.301 1.00 1.18 H new ATOM 0 HA VAL A 10 -15.748 -3.367 -3.559 1.00 0.94 H new ATOM 0 HB VAL A 10 -14.196 -5.465 -5.100 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -15.055 -7.009 -3.381 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -14.030 -5.734 -2.679 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -15.801 -5.635 -2.530 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -16.382 -6.574 -5.400 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -17.185 -5.177 -4.645 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -16.330 -4.982 -6.194 1.00 2.00 H new ATOM 155 N VAL A 11 -13.585 -2.298 -2.764 1.00 0.62 N ATOM 156 CA VAL A 11 -12.358 -1.824 -2.153 1.00 0.61 C ATOM 157 C VAL A 11 -12.171 -2.455 -0.779 1.00 0.62 C ATOM 158 O VAL A 11 -12.605 -1.922 0.237 1.00 0.93 O ATOM 159 CB VAL A 11 -12.355 -0.285 -2.032 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.033 0.209 -1.470 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.635 0.359 -3.383 1.00 0.95 C ATOM 0 H VAL A 11 -14.420 -1.782 -2.487 1.00 0.62 H new ATOM 0 HA VAL A 11 -11.528 -2.118 -2.796 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.148 0.003 -1.342 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -11.054 1.296 -1.394 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -10.874 -0.221 -0.481 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.221 -0.093 -2.131 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.629 1.444 -3.277 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -11.866 0.059 -4.095 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.611 0.035 -3.745 1.00 0.95 H new ATOM 171 N THR A 12 -11.519 -3.600 -0.758 1.00 0.44 N ATOM 172 CA THR A 12 -11.334 -4.347 0.471 1.00 0.45 C ATOM 173 C THR A 12 -10.272 -3.700 1.352 1.00 0.41 C ATOM 174 O THR A 12 -9.124 -3.562 0.943 1.00 0.50 O ATOM 175 CB THR A 12 -10.929 -5.799 0.162 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.884 -6.385 -0.734 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.852 -6.623 1.435 1.00 0.64 C ATOM 0 H THR A 12 -11.106 -4.036 -1.583 1.00 0.44 H new ATOM 0 HA THR A 12 -12.283 -4.343 1.007 1.00 0.45 H new ATOM 0 HB THR A 12 -9.943 -5.791 -0.303 1.00 0.54 H new ATOM 0 HG1 THR A 12 -11.624 -7.309 -0.931 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.564 -7.645 1.190 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.111 -6.188 2.106 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.826 -6.628 1.925 1.00 0.64 H new ATOM 185 N ILE A 13 -10.660 -3.291 2.555 1.00 0.40 N ATOM 186 CA ILE A 13 -9.711 -2.708 3.492 1.00 0.40 C ATOM 187 C ILE A 13 -8.981 -3.801 4.263 1.00 0.37 C ATOM 188 O ILE A 13 -9.599 -4.672 4.877 1.00 0.52 O ATOM 189 CB ILE A 13 -10.388 -1.738 4.491 1.00 0.52 C ATOM 190 CG1 ILE A 13 -10.904 -0.498 3.758 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.417 -1.335 5.597 1.00 1.26 C ATOM 192 CD1 ILE A 13 -11.503 0.547 4.679 1.00 1.30 C ATOM 0 H ILE A 13 -11.618 -3.352 2.901 1.00 0.40 H new ATOM 0 HA ILE A 13 -8.998 -2.134 2.899 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.233 -2.252 4.949 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.083 -0.049 3.199 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -11.656 -0.803 3.031 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -9.914 -0.653 6.287 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -9.091 -2.224 6.137 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -8.551 -0.839 5.158 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.847 1.397 4.090 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -12.345 0.115 5.220 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.748 0.881 5.390 1.00 1.30 H new ATOM 204 N MET A 14 -7.667 -3.753 4.200 1.00 0.26 N ATOM 205 CA MET A 14 -6.816 -4.661 4.919 1.00 0.28 C ATOM 206 C MET A 14 -5.803 -3.848 5.704 1.00 0.24 C ATOM 207 O MET A 14 -5.745 -2.627 5.562 1.00 0.29 O ATOM 208 CB MET A 14 -6.105 -5.591 3.943 1.00 0.36 C ATOM 209 CG MET A 14 -7.021 -6.594 3.257 1.00 0.49 C ATOM 210 SD MET A 14 -6.126 -7.687 2.135 1.00 0.79 S ATOM 211 CE MET A 14 -7.445 -8.732 1.539 1.00 0.69 C ATOM 0 H MET A 14 -7.158 -3.070 3.638 1.00 0.26 H new ATOM 0 HA MET A 14 -7.409 -5.271 5.601 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.609 -4.989 3.182 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.326 -6.134 4.478 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.531 -7.192 4.012 1.00 0.49 H new ATOM 0 HG3 MET A 14 -7.791 -6.058 2.701 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.299 -8.933 0.478 1.00 0.69 H new ATOM 0 HE2 MET A 14 -7.441 -9.672 2.090 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.401 -8.230 1.685 1.00 0.69 H new ATOM 221 N GLY A 15 -5.009 -4.505 6.525 1.00 0.27 N ATOM 222 CA GLY A 15 -4.024 -3.801 7.297 1.00 0.27 C ATOM 223 C GLY A 15 -3.811 -4.434 8.643 1.00 0.24 C ATOM 224 O GLY A 15 -4.435 -5.448 8.960 1.00 0.31 O ATOM 0 H GLY A 15 -5.031 -5.515 6.669 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.081 -3.782 6.751 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.338 -2.765 7.428 1.00 0.27 H new ATOM 228 N HIS A 16 -2.929 -3.849 9.431 1.00 0.20 N ATOM 229 CA HIS A 16 -2.627 -4.392 10.743 1.00 0.17 C ATOM 230 C HIS A 16 -3.619 -3.899 11.790 1.00 0.19 C ATOM 231 O HIS A 16 -4.315 -2.901 11.604 1.00 0.22 O ATOM 232 CB HIS A 16 -1.200 -4.032 11.167 1.00 0.17 C ATOM 233 CG HIS A 16 -0.737 -4.740 12.404 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.824 -6.105 12.535 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.222 -4.224 13.535 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.361 -6.380 13.743 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.016 -5.271 14.387 1.00 0.22 N ATOM 0 H HIS A 16 -2.412 -3.004 9.189 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.712 -5.476 10.673 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.518 -4.267 10.349 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.141 -2.956 11.332 1.00 0.17 H new ATOM 0 HD2 HIS A 16 -0.032 -3.180 13.734 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.296 -7.375 14.157 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.405 -5.215 15.328 1.00 0.22 H new ATOM 245 N VAL A 17 -3.670 -4.630 12.884 1.00 0.20 N ATOM 246 CA VAL A 17 -4.481 -4.280 14.035 1.00 0.25 C ATOM 247 C VAL A 17 -3.835 -3.128 14.793 1.00 0.26 C ATOM 248 O VAL A 17 -2.624 -2.945 14.715 1.00 0.25 O ATOM 249 CB VAL A 17 -4.616 -5.512 14.936 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.247 -6.020 15.352 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.444 -5.243 16.162 1.00 0.36 C ATOM 0 H VAL A 17 -3.143 -5.495 13.002 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.472 -3.960 13.711 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.131 -6.272 14.348 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.363 -6.895 15.991 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.675 -6.292 14.465 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.720 -5.238 15.899 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.507 -6.149 16.764 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.980 -4.449 16.748 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.446 -4.935 15.864 1.00 0.36 H new ATOM 261 N ASP A 18 -4.653 -2.331 15.485 1.00 0.31 N ATOM 262 CA ASP A 18 -4.177 -1.145 16.212 1.00 0.36 C ATOM 263 C ASP A 18 -3.837 -0.020 15.238 1.00 0.34 C ATOM 264 O ASP A 18 -3.810 1.155 15.604 1.00 0.41 O ATOM 265 CB ASP A 18 -2.979 -1.487 17.108 1.00 0.42 C ATOM 266 CG ASP A 18 -2.352 -0.265 17.759 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.914 0.239 18.757 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.299 0.207 17.275 1.00 0.59 O ATOM 0 H ASP A 18 -5.658 -2.486 15.559 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.981 -0.799 16.861 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.301 -2.180 17.885 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.224 -2.002 16.514 1.00 0.42 H new ATOM 273 N HIS A 19 -3.596 -0.386 13.990 1.00 0.29 N ATOM 274 CA HIS A 19 -3.452 0.593 12.932 1.00 0.32 C ATOM 275 C HIS A 19 -4.832 1.051 12.505 1.00 0.43 C ATOM 276 O HIS A 19 -4.985 2.072 11.843 1.00 0.63 O ATOM 277 CB HIS A 19 -2.702 0.018 11.730 1.00 0.29 C ATOM 278 CG HIS A 19 -1.329 -0.475 12.048 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.422 -0.737 11.058 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.764 -0.736 13.248 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.670 -1.150 11.673 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.508 -1.166 12.999 1.00 0.24 N ATOM 0 H HIS A 19 -3.496 -1.355 13.687 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.870 1.433 13.310 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.284 -0.803 11.311 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.632 0.785 10.958 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -1.229 -0.626 14.217 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.580 -1.439 11.168 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.202 -1.446 13.693 1.00 0.24 H new ATOM 290 N GLY A 20 -5.837 0.271 12.894 1.00 0.42 N ATOM 291 CA GLY A 20 -7.204 0.658 12.646 1.00 0.54 C ATOM 292 C GLY A 20 -7.963 -0.295 11.759 1.00 0.57 C ATOM 293 O GLY A 20 -8.422 0.097 10.691 1.00 0.79 O ATOM 0 H GLY A 20 -5.723 -0.621 13.376 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.725 0.743 13.600 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.213 1.648 12.189 1.00 0.54 H new ATOM 297 N LYS A 21 -8.098 -1.542 12.175 1.00 0.61 N ATOM 298 CA LYS A 21 -8.919 -2.474 11.420 1.00 0.95 C ATOM 299 C LYS A 21 -10.386 -2.033 11.406 1.00 0.89 C ATOM 300 O LYS A 21 -10.925 -1.679 10.359 1.00 1.05 O ATOM 301 CB LYS A 21 -8.793 -3.875 12.001 1.00 1.36 C ATOM 302 CG LYS A 21 -9.560 -4.922 11.206 1.00 1.79 C ATOM 303 CD LYS A 21 -9.031 -5.041 9.783 1.00 2.30 C ATOM 304 CE LYS A 21 -7.662 -5.702 9.749 1.00 2.66 C ATOM 305 NZ LYS A 21 -7.700 -7.092 10.280 1.00 3.31 N ATOM 0 H LYS A 21 -7.661 -1.927 13.012 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.561 -2.484 10.390 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.740 -4.154 12.036 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.156 -3.870 13.029 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -9.483 -5.888 11.706 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -10.617 -4.659 11.181 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.731 -5.621 9.181 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.969 -4.050 9.333 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -7.291 -5.716 8.724 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -6.959 -5.110 10.334 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -6.747 -7.506 10.239 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -8.029 -7.078 11.267 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -8.351 -7.665 9.706 1.00 3.31 H new ATOM 319 N THR A 22 -11.029 -2.046 12.566 1.00 0.84 N ATOM 320 CA THR A 22 -12.434 -1.672 12.661 1.00 0.87 C ATOM 321 C THR A 22 -12.590 -0.157 12.813 1.00 0.79 C ATOM 322 O THR A 22 -13.540 0.440 12.297 1.00 0.79 O ATOM 323 CB THR A 22 -13.109 -2.381 13.850 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.777 -3.777 13.848 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.624 -2.226 13.786 1.00 1.18 C ATOM 0 H THR A 22 -10.601 -2.311 13.453 1.00 0.84 H new ATOM 0 HA THR A 22 -12.920 -1.985 11.737 1.00 0.87 H new ATOM 0 HB THR A 22 -12.744 -1.919 14.767 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.847 -3.892 14.134 1.00 1.21 H new ATOM 0 HG21 THR A 22 -15.078 -2.735 14.636 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.883 -1.168 13.816 1.00 1.18 H new ATOM 0 HG23 THR A 22 -14.996 -2.664 12.860 1.00 1.18 H new ATOM 333 N THR A 23 -11.637 0.463 13.502 1.00 0.75 N ATOM 334 CA THR A 23 -11.682 1.893 13.777 1.00 0.75 C ATOM 335 C THR A 23 -11.681 2.739 12.506 1.00 0.67 C ATOM 336 O THR A 23 -12.173 3.861 12.513 1.00 0.66 O ATOM 337 CB THR A 23 -10.505 2.316 14.666 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.460 1.336 14.580 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.950 2.486 16.110 1.00 1.17 C ATOM 0 H THR A 23 -10.817 -0.009 13.883 1.00 0.75 H new ATOM 0 HA THR A 23 -12.623 2.072 14.298 1.00 0.75 H new ATOM 0 HB THR A 23 -10.129 3.277 14.314 1.00 0.82 H new ATOM 0 HG1 THR A 23 -9.145 1.114 15.481 1.00 1.25 H new ATOM 0 HG21 THR A 23 -10.098 2.786 16.720 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.723 3.252 16.165 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.348 1.542 16.482 1.00 1.17 H new ATOM 347 N LEU A 24 -11.151 2.206 11.416 1.00 0.65 N ATOM 348 CA LEU A 24 -11.137 2.935 10.154 1.00 0.63 C ATOM 349 C LEU A 24 -12.531 3.012 9.568 1.00 0.64 C ATOM 350 O LEU A 24 -12.929 4.043 9.046 1.00 0.65 O ATOM 351 CB LEU A 24 -10.197 2.276 9.179 1.00 0.67 C ATOM 352 CG LEU A 24 -8.914 3.055 8.862 1.00 0.84 C ATOM 353 CD1 LEU A 24 -9.244 4.363 8.157 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.116 3.325 10.129 1.00 1.30 C ATOM 0 H LEU A 24 -10.728 1.279 11.378 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.787 3.949 10.347 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.919 1.299 9.575 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.734 2.101 8.247 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.304 2.444 8.197 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -8.322 4.902 7.940 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -9.769 4.152 7.225 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -9.878 4.973 8.800 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.211 3.878 9.878 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.720 3.912 10.821 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.845 2.379 10.597 1.00 1.30 H new ATOM 366 N LEU A 25 -13.283 1.925 9.685 1.00 0.68 N ATOM 367 CA LEU A 25 -14.669 1.912 9.231 1.00 0.75 C ATOM 368 C LEU A 25 -15.526 2.758 10.165 1.00 0.74 C ATOM 369 O LEU A 25 -16.652 3.120 9.831 1.00 0.82 O ATOM 370 CB LEU A 25 -15.218 0.485 9.183 1.00 0.85 C ATOM 371 CG LEU A 25 -14.502 -0.461 8.220 1.00 0.92 C ATOM 372 CD1 LEU A 25 -15.234 -1.790 8.146 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.387 0.166 6.839 1.00 1.69 C ATOM 0 H LEU A 25 -12.960 1.045 10.088 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.702 2.328 8.224 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -15.169 0.061 10.186 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -16.272 0.528 8.907 1.00 0.85 H new ATOM 0 HG LEU A 25 -13.495 -0.641 8.596 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -14.713 -2.454 7.456 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.263 -2.245 9.136 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.252 -1.626 7.792 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -13.874 -0.523 6.168 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.384 0.376 6.451 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.821 1.095 6.907 1.00 1.69 H new ATOM 385 N ASP A 26 -14.970 3.079 11.326 1.00 0.71 N ATOM 386 CA ASP A 26 -15.652 3.904 12.312 1.00 0.75 C ATOM 387 C ASP A 26 -15.319 5.350 12.046 1.00 0.70 C ATOM 388 O ASP A 26 -16.175 6.238 12.087 1.00 0.76 O ATOM 389 CB ASP A 26 -15.195 3.538 13.712 1.00 0.81 C ATOM 390 CG ASP A 26 -15.936 4.298 14.795 1.00 1.01 C ATOM 391 OD1 ASP A 26 -15.533 5.439 15.113 1.00 1.23 O ATOM 392 OD2 ASP A 26 -16.937 3.769 15.326 1.00 1.13 O ATOM 0 H ASP A 26 -14.038 2.776 11.609 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.727 3.740 12.238 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.335 2.468 13.866 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.127 3.736 13.803 1.00 0.81 H new ATOM 397 N ALA A 27 -14.054 5.564 11.751 1.00 0.63 N ATOM 398 CA ALA A 27 -13.545 6.882 11.441 1.00 0.61 C ATOM 399 C ALA A 27 -14.102 7.355 10.107 1.00 0.58 C ATOM 400 O ALA A 27 -14.505 8.513 9.952 1.00 0.62 O ATOM 401 CB ALA A 27 -12.031 6.829 11.403 1.00 0.61 C ATOM 0 H ALA A 27 -13.349 4.827 11.720 1.00 0.63 H new ATOM 0 HA ALA A 27 -13.858 7.590 12.208 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.638 7.819 11.170 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.654 6.508 12.374 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.711 6.122 10.638 1.00 0.61 H new ATOM 407 N ILE A 28 -14.160 6.429 9.163 1.00 0.56 N ATOM 408 CA ILE A 28 -14.594 6.714 7.808 1.00 0.57 C ATOM 409 C ILE A 28 -16.078 7.080 7.774 1.00 0.64 C ATOM 410 O ILE A 28 -16.548 7.717 6.833 1.00 0.71 O ATOM 411 CB ILE A 28 -14.304 5.501 6.896 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.946 5.947 5.485 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.480 4.532 6.858 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.245 4.863 4.702 1.00 0.85 C ATOM 0 H ILE A 28 -13.905 5.454 9.318 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.034 7.572 7.436 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.448 4.978 7.323 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.853 6.243 4.959 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.305 6.827 5.536 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.239 3.692 6.207 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.681 4.165 7.864 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.362 5.045 6.476 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.011 5.230 3.703 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.323 4.584 5.212 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.895 3.991 4.625 1.00 0.85 H new ATOM 426 N ARG A 29 -16.805 6.686 8.820 1.00 0.70 N ATOM 427 CA ARG A 29 -18.211 7.048 8.958 1.00 0.82 C ATOM 428 C ARG A 29 -18.364 8.561 8.950 1.00 0.86 C ATOM 429 O ARG A 29 -19.098 9.121 8.138 1.00 1.07 O ATOM 430 CB ARG A 29 -18.786 6.496 10.269 1.00 0.99 C ATOM 431 CG ARG A 29 -18.922 4.981 10.308 1.00 1.06 C ATOM 432 CD ARG A 29 -20.096 4.496 9.469 1.00 1.06 C ATOM 433 NE ARG A 29 -21.373 4.960 10.005 1.00 1.62 N ATOM 434 CZ ARG A 29 -22.551 4.776 9.413 1.00 2.19 C ATOM 435 NH1 ARG A 29 -22.633 4.107 8.267 1.00 2.49 N ATOM 436 NH2 ARG A 29 -23.648 5.262 9.974 1.00 3.04 N ATOM 0 H ARG A 29 -16.441 6.116 9.583 1.00 0.70 H new ATOM 0 HA ARG A 29 -18.755 6.617 8.118 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -18.147 6.812 11.093 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -19.767 6.941 10.437 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -18.002 4.524 9.944 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -19.053 4.654 11.340 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -19.982 4.850 8.444 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -20.091 3.407 9.432 1.00 1.06 H new ATOM 0 HE ARG A 29 -21.361 5.459 10.894 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -21.789 3.730 7.835 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -23.540 3.970 7.820 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -23.587 5.774 10.854 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -24.554 5.125 9.526 1.00 3.04 H new ATOM 450 N HIS A 30 -17.603 9.211 9.823 1.00 0.83 N ATOM 451 CA HIS A 30 -17.768 10.632 10.089 1.00 0.98 C ATOM 452 C HIS A 30 -16.708 11.459 9.386 1.00 0.95 C ATOM 453 O HIS A 30 -16.342 12.545 9.825 1.00 1.10 O ATOM 454 CB HIS A 30 -17.676 10.878 11.574 1.00 1.15 C ATOM 455 CG HIS A 30 -18.559 11.963 12.078 1.00 1.60 C ATOM 456 ND1 HIS A 30 -19.718 11.735 12.782 1.00 2.04 N ATOM 457 CD2 HIS A 30 -18.432 13.288 11.979 1.00 2.10 C ATOM 458 CE1 HIS A 30 -20.273 12.891 13.093 1.00 2.61 C ATOM 459 NE2 HIS A 30 -19.507 13.852 12.617 1.00 2.65 N ATOM 0 H HIS A 30 -16.859 8.769 10.363 1.00 0.83 H new ATOM 0 HA HIS A 30 -18.745 10.932 9.710 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -17.922 9.954 12.098 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -16.644 11.121 11.825 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -17.630 13.818 11.487 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -21.194 13.026 13.641 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -19.685 14.852 12.708 1.00 2.65 H new ATOM 468 N SER A 31 -16.200 10.914 8.318 1.00 0.82 N ATOM 469 CA SER A 31 -15.248 11.627 7.466 1.00 0.84 C ATOM 470 C SER A 31 -16.002 12.340 6.349 1.00 1.00 C ATOM 471 O SER A 31 -15.430 13.095 5.564 1.00 1.38 O ATOM 472 CB SER A 31 -14.219 10.658 6.882 1.00 0.78 C ATOM 473 OG SER A 31 -13.571 9.926 7.905 1.00 1.46 O ATOM 0 H SER A 31 -16.422 9.970 8.001 1.00 0.82 H new ATOM 0 HA SER A 31 -14.715 12.364 8.066 1.00 0.84 H new ATOM 0 HB2 SER A 31 -14.712 9.970 6.195 1.00 0.78 H new ATOM 0 HB3 SER A 31 -13.480 11.212 6.303 1.00 0.78 H new ATOM 0 HG SER A 31 -14.241 9.463 8.450 1.00 1.46 H new ATOM 479 N LYS A 32 -17.301 12.080 6.312 1.00 0.91 N ATOM 480 CA LYS A 32 -18.210 12.651 5.336 1.00 1.09 C ATOM 481 C LYS A 32 -19.611 12.177 5.694 1.00 1.10 C ATOM 482 O LYS A 32 -19.784 11.500 6.704 1.00 1.37 O ATOM 483 CB LYS A 32 -17.860 12.220 3.901 1.00 1.39 C ATOM 484 CG LYS A 32 -18.266 10.792 3.572 1.00 1.56 C ATOM 485 CD LYS A 32 -17.362 9.762 4.224 1.00 2.24 C ATOM 486 CE LYS A 32 -18.055 8.414 4.319 1.00 3.10 C ATOM 487 NZ LYS A 32 -19.280 8.482 5.166 1.00 3.92 N ATOM 0 H LYS A 32 -17.759 11.453 6.974 1.00 0.91 H new ATOM 0 HA LYS A 32 -18.136 13.738 5.363 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -18.347 12.897 3.199 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -16.785 12.326 3.752 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -19.293 10.626 3.898 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -18.248 10.653 2.491 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -16.442 9.663 3.647 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -17.078 10.100 5.221 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -18.322 8.071 3.319 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -17.366 7.679 4.734 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -19.582 7.519 5.418 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -19.073 9.018 6.033 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -20.041 8.957 4.639 1.00 3.92 H new ATOM 501 N VAL A 33 -20.593 12.492 4.872 1.00 1.17 N ATOM 502 CA VAL A 33 -21.953 12.042 5.126 1.00 1.39 C ATOM 503 C VAL A 33 -22.086 10.552 4.806 1.00 1.51 C ATOM 504 O VAL A 33 -21.332 10.012 3.992 1.00 2.31 O ATOM 505 CB VAL A 33 -22.981 12.828 4.287 1.00 2.16 C ATOM 506 CG1 VAL A 33 -24.403 12.499 4.718 1.00 3.10 C ATOM 507 CG2 VAL A 33 -22.722 14.326 4.381 1.00 3.06 C ATOM 0 H VAL A 33 -20.479 13.053 4.028 1.00 1.17 H new ATOM 0 HA VAL A 33 -22.159 12.218 6.182 1.00 1.39 H new ATOM 0 HB VAL A 33 -22.866 12.526 3.246 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -25.108 13.067 4.111 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -24.586 11.433 4.585 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -24.535 12.762 5.768 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -23.459 14.861 3.782 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -22.800 14.644 5.421 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -21.722 14.546 4.008 1.00 3.06 H new ATOM 517 N THR A 34 -22.993 9.880 5.486 1.00 1.46 N ATOM 518 CA THR A 34 -23.368 8.531 5.113 1.00 1.91 C ATOM 519 C THR A 34 -24.754 8.205 5.657 1.00 2.50 C ATOM 520 O THR A 34 -25.424 9.076 6.213 1.00 2.78 O ATOM 521 CB THR A 34 -22.333 7.481 5.585 1.00 1.83 C ATOM 522 OG1 THR A 34 -22.613 6.202 4.999 1.00 2.42 O ATOM 523 CG2 THR A 34 -22.316 7.365 7.100 1.00 1.73 C ATOM 0 H THR A 34 -23.485 10.247 6.301 1.00 1.46 H new ATOM 0 HA THR A 34 -23.389 8.485 4.024 1.00 1.91 H new ATOM 0 HB THR A 34 -21.349 7.815 5.258 1.00 1.83 H new ATOM 0 HG1 THR A 34 -22.935 6.326 4.082 1.00 2.42 H new ATOM 0 HG21 THR A 34 -21.579 6.620 7.400 1.00 1.73 H new ATOM 0 HG22 THR A 34 -22.055 8.329 7.536 1.00 1.73 H new ATOM 0 HG23 THR A 34 -23.302 7.063 7.453 1.00 1.73 H new ATOM 531 N GLU A 35 -25.169 6.960 5.491 1.00 3.15 N ATOM 532 CA GLU A 35 -26.472 6.516 5.952 1.00 3.98 C ATOM 533 C GLU A 35 -26.495 6.507 7.477 1.00 4.05 C ATOM 534 O GLU A 35 -25.461 6.308 8.117 1.00 4.33 O ATOM 535 CB GLU A 35 -26.769 5.113 5.414 1.00 4.75 C ATOM 536 CG GLU A 35 -26.271 4.873 3.992 1.00 5.08 C ATOM 537 CD GLU A 35 -26.817 5.866 2.981 1.00 5.84 C ATOM 538 OE1 GLU A 35 -28.042 5.854 2.729 1.00 6.34 O ATOM 539 OE2 GLU A 35 -26.035 6.686 2.464 1.00 6.16 O ATOM 0 H GLU A 35 -24.616 6.234 5.036 1.00 3.15 H new ATOM 0 HA GLU A 35 -27.237 7.200 5.584 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -26.313 4.377 6.076 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -27.845 4.944 5.444 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -25.182 4.921 3.984 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -26.548 3.865 3.684 1.00 5.08 H new ATOM 546 N GLN A 36 -27.671 6.700 8.058 1.00 4.07 N ATOM 547 CA GLN A 36 -27.810 6.778 9.512 1.00 4.38 C ATOM 548 C GLN A 36 -27.801 5.395 10.164 1.00 4.02 C ATOM 549 O GLN A 36 -28.277 5.220 11.288 1.00 4.41 O ATOM 550 CB GLN A 36 -29.079 7.548 9.906 1.00 5.16 C ATOM 551 CG GLN A 36 -30.282 7.340 8.981 1.00 5.59 C ATOM 552 CD GLN A 36 -30.629 5.883 8.741 1.00 6.26 C ATOM 553 OE1 GLN A 36 -30.168 5.281 7.771 1.00 6.59 O ATOM 554 NE2 GLN A 36 -31.426 5.303 9.620 1.00 6.79 N ATOM 0 H GLN A 36 -28.547 6.806 7.546 1.00 4.07 H new ATOM 0 HA GLN A 36 -26.943 7.324 9.884 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -29.363 7.255 10.917 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -28.844 8.612 9.937 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -31.148 7.844 9.409 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -30.078 7.817 8.023 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -31.787 5.837 10.411 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -31.680 4.322 9.508 1.00 6.79 H new ATOM 563 N GLU A 37 -27.261 4.420 9.453 1.00 3.65 N ATOM 564 CA GLU A 37 -27.135 3.073 9.973 1.00 3.72 C ATOM 565 C GLU A 37 -25.764 2.513 9.618 1.00 3.46 C ATOM 566 O GLU A 37 -25.398 2.443 8.443 1.00 3.48 O ATOM 567 CB GLU A 37 -28.242 2.180 9.408 1.00 4.27 C ATOM 568 CG GLU A 37 -28.237 0.769 9.972 1.00 4.95 C ATOM 569 CD GLU A 37 -29.408 -0.051 9.482 1.00 5.60 C ATOM 570 OE1 GLU A 37 -29.299 -0.660 8.399 1.00 6.24 O ATOM 571 OE2 GLU A 37 -30.449 -0.092 10.177 1.00 5.76 O ATOM 0 H GLU A 37 -26.901 4.540 8.506 1.00 3.65 H new ATOM 0 HA GLU A 37 -27.237 3.098 11.058 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -29.208 2.640 9.614 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -28.138 2.129 8.324 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -27.307 0.273 9.694 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -28.260 0.816 11.061 1.00 4.95 H new ATOM 578 N ALA A 38 -24.996 2.161 10.638 1.00 3.77 N ATOM 579 CA ALA A 38 -23.666 1.600 10.444 1.00 4.17 C ATOM 580 C ALA A 38 -23.742 0.218 9.811 1.00 4.07 C ATOM 581 O ALA A 38 -24.631 -0.573 10.126 1.00 4.46 O ATOM 582 CB ALA A 38 -22.921 1.534 11.767 1.00 4.95 C ATOM 0 H ALA A 38 -25.273 2.255 11.615 1.00 3.77 H new ATOM 0 HA ALA A 38 -23.120 2.254 9.765 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -21.929 1.113 11.605 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -22.826 2.538 12.181 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -23.473 0.904 12.465 1.00 4.95 H new ATOM 588 N GLY A 39 -22.810 -0.060 8.912 1.00 4.00 N ATOM 589 CA GLY A 39 -22.761 -1.354 8.263 1.00 4.22 C ATOM 590 C GLY A 39 -22.201 -2.419 9.181 1.00 4.22 C ATOM 591 O GLY A 39 -20.984 -2.533 9.348 1.00 4.68 O ATOM 0 H GLY A 39 -22.082 0.592 8.619 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -23.763 -1.639 7.943 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -22.147 -1.288 7.365 1.00 4.22 H new ATOM 595 N GLY A 40 -23.087 -3.195 9.790 1.00 4.14 N ATOM 596 CA GLY A 40 -22.656 -4.215 10.719 1.00 4.55 C ATOM 597 C GLY A 40 -23.230 -5.578 10.407 1.00 4.28 C ATOM 598 O GLY A 40 -24.416 -5.825 10.623 1.00 4.37 O ATOM 0 H GLY A 40 -24.096 -3.135 9.656 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -21.568 -4.274 10.707 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -22.948 -3.926 11.729 1.00 4.55 H new ATOM 602 N ILE A 41 -22.389 -6.462 9.884 1.00 4.35 N ATOM 603 CA ILE A 41 -22.792 -7.838 9.651 1.00 4.40 C ATOM 604 C ILE A 41 -22.813 -8.590 10.969 1.00 4.54 C ATOM 605 O ILE A 41 -21.831 -8.565 11.718 1.00 5.04 O ATOM 606 CB ILE A 41 -21.853 -8.574 8.668 1.00 4.99 C ATOM 607 CG1 ILE A 41 -21.858 -7.883 7.299 1.00 5.27 C ATOM 608 CG2 ILE A 41 -22.267 -10.035 8.537 1.00 5.57 C ATOM 609 CD1 ILE A 41 -23.230 -7.787 6.664 1.00 5.56 C ATOM 0 H ILE A 41 -21.428 -6.249 9.615 1.00 4.35 H new ATOM 0 HA ILE A 41 -23.785 -7.810 9.203 1.00 4.40 H new ATOM 0 HB ILE A 41 -20.838 -8.537 9.063 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -21.448 -6.879 7.408 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -21.194 -8.427 6.626 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -21.598 -10.542 7.842 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -22.211 -10.518 9.513 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -23.289 -10.091 8.163 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -23.150 -7.286 5.699 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -23.635 -8.789 6.521 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -23.893 -7.217 7.315 1.00 5.56 H new ATOM 621 N THR A 42 -23.932 -9.247 11.238 1.00 4.43 N ATOM 622 CA THR A 42 -24.153 -9.954 12.486 1.00 4.86 C ATOM 623 C THR A 42 -24.215 -8.977 13.669 1.00 4.64 C ATOM 624 O THR A 42 -25.295 -8.695 14.190 1.00 4.68 O ATOM 625 CB THR A 42 -23.066 -11.018 12.729 1.00 5.21 C ATOM 626 OG1 THR A 42 -23.030 -11.933 11.625 1.00 5.55 O ATOM 627 CG2 THR A 42 -23.325 -11.781 14.020 1.00 5.93 C ATOM 0 H THR A 42 -24.717 -9.303 10.589 1.00 4.43 H new ATOM 0 HA THR A 42 -25.114 -10.462 12.406 1.00 4.86 H new ATOM 0 HB THR A 42 -22.105 -10.511 12.818 1.00 5.21 H new ATOM 0 HG1 THR A 42 -22.337 -12.608 11.782 1.00 5.55 H new ATOM 0 HG21 THR A 42 -22.542 -12.525 14.166 1.00 5.93 H new ATOM 0 HG22 THR A 42 -23.326 -11.086 14.860 1.00 5.93 H new ATOM 0 HG23 THR A 42 -24.293 -12.279 13.960 1.00 5.93 H new ATOM 635 N GLN A 43 -23.059 -8.450 14.066 1.00 4.73 N ATOM 636 CA GLN A 43 -22.986 -7.499 15.168 1.00 4.79 C ATOM 637 C GLN A 43 -21.618 -6.821 15.227 1.00 4.45 C ATOM 638 O GLN A 43 -21.519 -5.647 15.574 1.00 4.74 O ATOM 639 CB GLN A 43 -23.283 -8.179 16.512 1.00 5.52 C ATOM 640 CG GLN A 43 -22.360 -9.344 16.834 1.00 5.96 C ATOM 641 CD GLN A 43 -22.434 -9.757 18.289 1.00 6.23 C ATOM 642 OE1 GLN A 43 -21.687 -9.251 19.125 1.00 6.39 O ATOM 643 NE2 GLN A 43 -23.322 -10.685 18.602 1.00 6.63 N ATOM 0 H GLN A 43 -22.159 -8.667 13.638 1.00 4.73 H new ATOM 0 HA GLN A 43 -23.746 -6.739 14.984 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -23.206 -7.438 17.307 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -24.313 -8.536 16.507 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -22.621 -10.195 16.204 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -21.334 -9.069 16.589 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -23.923 -11.080 17.879 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -23.406 -11.006 19.567 1.00 6.63 H new ATOM 652 N HIS A 44 -20.563 -7.549 14.859 1.00 4.15 N ATOM 653 CA HIS A 44 -19.199 -7.030 14.993 1.00 4.05 C ATOM 654 C HIS A 44 -18.785 -6.227 13.766 1.00 3.55 C ATOM 655 O HIS A 44 -17.640 -6.317 13.316 1.00 3.72 O ATOM 656 CB HIS A 44 -18.196 -8.164 15.223 1.00 4.61 C ATOM 657 CG HIS A 44 -18.377 -8.889 16.517 1.00 5.23 C ATOM 658 ND1 HIS A 44 -17.867 -8.430 17.710 1.00 5.76 N ATOM 659 CD2 HIS A 44 -19.013 -10.048 16.804 1.00 5.72 C ATOM 660 CE1 HIS A 44 -18.184 -9.273 18.673 1.00 6.54 C ATOM 661 NE2 HIS A 44 -18.878 -10.264 18.149 1.00 6.49 N ATOM 0 H HIS A 44 -20.624 -8.490 14.470 1.00 4.15 H new ATOM 0 HA HIS A 44 -19.194 -6.370 15.861 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -18.279 -8.879 14.404 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -17.187 -7.754 15.187 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -19.531 -10.685 16.102 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -17.920 -9.169 19.715 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -19.253 -11.062 18.662 1.00 6.49 H new ATOM 670 N ILE A 45 -19.720 -5.432 13.250 1.00 3.31 N ATOM 671 CA ILE A 45 -19.494 -4.616 12.057 1.00 3.06 C ATOM 672 C ILE A 45 -19.264 -5.497 10.822 1.00 2.33 C ATOM 673 O ILE A 45 -18.909 -6.672 10.928 1.00 2.50 O ATOM 674 CB ILE A 45 -18.299 -3.648 12.262 1.00 3.87 C ATOM 675 CG1 ILE A 45 -18.526 -2.779 13.501 1.00 4.51 C ATOM 676 CG2 ILE A 45 -18.062 -2.763 11.044 1.00 4.43 C ATOM 677 CD1 ILE A 45 -19.784 -1.935 13.427 1.00 5.17 C ATOM 0 H ILE A 45 -20.655 -5.335 13.646 1.00 3.31 H new ATOM 0 HA ILE A 45 -20.391 -4.020 11.890 1.00 3.06 H new ATOM 0 HB ILE A 45 -17.408 -4.260 12.404 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -18.580 -3.421 14.380 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -17.666 -2.123 13.638 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -17.216 -2.102 11.233 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -17.848 -3.387 10.177 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -18.953 -2.166 10.850 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -19.881 -1.345 14.339 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -19.724 -1.267 12.567 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -20.653 -2.585 13.322 1.00 5.17 H new ATOM 689 N GLY A 46 -19.502 -4.935 9.656 1.00 2.18 N ATOM 690 CA GLY A 46 -19.346 -5.683 8.428 1.00 2.10 C ATOM 691 C GLY A 46 -19.143 -4.784 7.230 1.00 1.86 C ATOM 692 O GLY A 46 -19.475 -5.167 6.107 1.00 2.51 O ATOM 0 H GLY A 46 -19.803 -3.968 9.533 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -18.495 -6.357 8.522 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -20.228 -6.303 8.269 1.00 2.10 H new ATOM 696 N ALA A 47 -18.617 -3.584 7.484 1.00 1.36 N ATOM 697 CA ALA A 47 -18.324 -2.615 6.428 1.00 1.12 C ATOM 698 C ALA A 47 -19.595 -2.151 5.722 1.00 1.01 C ATOM 699 O ALA A 47 -20.703 -2.481 6.151 1.00 1.17 O ATOM 700 CB ALA A 47 -17.337 -3.202 5.444 1.00 1.29 C ATOM 0 H ALA A 47 -18.384 -3.259 8.422 1.00 1.36 H new ATOM 0 HA ALA A 47 -17.876 -1.735 6.889 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -17.126 -2.473 4.662 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -16.413 -3.456 5.963 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -17.760 -4.101 4.997 1.00 1.29 H new ATOM 706 N TYR A 48 -19.434 -1.381 4.640 1.00 0.85 N ATOM 707 CA TYR A 48 -20.577 -0.765 3.973 1.00 0.89 C ATOM 708 C TYR A 48 -20.125 0.056 2.774 1.00 0.81 C ATOM 709 O TYR A 48 -18.941 0.359 2.621 1.00 0.73 O ATOM 710 CB TYR A 48 -21.353 0.136 4.947 1.00 0.97 C ATOM 711 CG TYR A 48 -20.619 1.395 5.364 1.00 0.94 C ATOM 712 CD1 TYR A 48 -19.429 1.337 6.085 1.00 0.92 C ATOM 713 CD2 TYR A 48 -21.124 2.650 5.039 1.00 1.20 C ATOM 714 CE1 TYR A 48 -18.771 2.491 6.470 1.00 1.15 C ATOM 715 CE2 TYR A 48 -20.471 3.803 5.418 1.00 1.40 C ATOM 716 CZ TYR A 48 -19.296 3.720 6.132 1.00 1.37 C ATOM 717 OH TYR A 48 -18.647 4.874 6.507 1.00 1.70 O ATOM 0 H TYR A 48 -18.531 -1.173 4.214 1.00 0.85 H new ATOM 0 HA TYR A 48 -21.231 -1.566 3.629 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -22.299 0.419 4.484 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -21.595 -0.440 5.840 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -19.013 0.375 6.348 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -22.045 2.722 4.479 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -17.851 2.430 7.032 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -20.879 4.768 5.156 1.00 1.40 H new ATOM 0 HH TYR A 48 -19.151 5.651 6.188 1.00 1.70 H new ATOM 727 N GLN A 49 -21.083 0.406 1.922 1.00 0.91 N ATOM 728 CA GLN A 49 -20.831 1.323 0.824 1.00 0.89 C ATOM 729 C GLN A 49 -20.844 2.739 1.369 1.00 0.90 C ATOM 730 O GLN A 49 -21.872 3.205 1.862 1.00 1.02 O ATOM 731 CB GLN A 49 -21.891 1.195 -0.280 1.00 1.02 C ATOM 732 CG GLN A 49 -22.043 -0.206 -0.850 1.00 1.09 C ATOM 733 CD GLN A 49 -22.930 -1.106 -0.009 1.00 1.45 C ATOM 734 OE1 GLN A 49 -22.725 -2.318 0.048 1.00 1.87 O ATOM 735 NE2 GLN A 49 -23.927 -0.522 0.643 1.00 1.91 N ATOM 0 H GLN A 49 -22.043 0.065 1.974 1.00 0.91 H new ATOM 0 HA GLN A 49 -19.863 1.081 0.384 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -22.853 1.518 0.119 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -21.637 1.878 -1.091 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -22.457 -0.138 -1.856 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -21.057 -0.662 -0.941 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -24.063 0.486 0.570 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -24.557 -1.081 1.218 1.00 1.91 H new ATOM 744 N VAL A 50 -19.714 3.422 1.296 1.00 0.85 N ATOM 745 CA VAL A 50 -19.612 4.749 1.873 1.00 0.91 C ATOM 746 C VAL A 50 -20.295 5.790 1.000 1.00 0.96 C ATOM 747 O VAL A 50 -20.221 5.749 -0.228 1.00 1.01 O ATOM 748 CB VAL A 50 -18.147 5.163 2.116 1.00 0.93 C ATOM 749 CG1 VAL A 50 -17.524 4.301 3.197 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.331 5.089 0.833 1.00 1.34 C ATOM 0 H VAL A 50 -18.863 3.083 0.847 1.00 0.85 H new ATOM 0 HA VAL A 50 -20.121 4.704 2.836 1.00 0.91 H new ATOM 0 HB VAL A 50 -18.143 6.200 2.453 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -16.490 4.607 3.355 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -18.084 4.420 4.125 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -17.550 3.256 2.889 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.303 5.387 1.038 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.344 4.068 0.452 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.761 5.759 0.089 1.00 1.34 H new ATOM 760 N THR A 51 -20.989 6.710 1.636 1.00 1.09 N ATOM 761 CA THR A 51 -21.655 7.769 0.918 1.00 1.16 C ATOM 762 C THR A 51 -20.667 8.873 0.565 1.00 1.19 C ATOM 763 O THR A 51 -20.547 9.872 1.269 1.00 1.28 O ATOM 764 CB THR A 51 -22.812 8.343 1.745 1.00 1.29 C ATOM 765 OG1 THR A 51 -23.466 7.265 2.439 1.00 1.51 O ATOM 766 CG2 THR A 51 -23.805 9.053 0.839 1.00 1.42 C ATOM 0 H THR A 51 -21.105 6.744 2.649 1.00 1.09 H new ATOM 0 HA THR A 51 -22.062 7.352 -0.003 1.00 1.16 H new ATOM 0 HB THR A 51 -22.423 9.065 2.463 1.00 1.29 H new ATOM 0 HG1 THR A 51 -24.437 7.382 2.383 1.00 1.51 H new ATOM 0 HG21 THR A 51 -24.621 9.456 1.439 1.00 1.42 H new ATOM 0 HG22 THR A 51 -23.303 9.867 0.316 1.00 1.42 H new ATOM 0 HG23 THR A 51 -24.204 8.346 0.112 1.00 1.42 H new ATOM 774 N VAL A 52 -19.943 8.663 -0.520 1.00 1.36 N ATOM 775 CA VAL A 52 -19.051 9.684 -1.054 1.00 1.62 C ATOM 776 C VAL A 52 -19.874 10.609 -1.923 1.00 1.81 C ATOM 777 O VAL A 52 -19.585 11.793 -2.080 1.00 2.11 O ATOM 778 CB VAL A 52 -17.898 9.073 -1.893 1.00 1.88 C ATOM 779 CG1 VAL A 52 -18.427 8.403 -3.157 1.00 1.98 C ATOM 780 CG2 VAL A 52 -16.861 10.132 -2.242 1.00 2.27 C ATOM 0 H VAL A 52 -19.954 7.793 -1.052 1.00 1.36 H new ATOM 0 HA VAL A 52 -18.593 10.220 -0.223 1.00 1.62 H new ATOM 0 HB VAL A 52 -17.416 8.308 -1.284 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -17.594 7.985 -3.723 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -19.117 7.605 -2.884 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -18.948 9.140 -3.769 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -16.063 9.680 -2.830 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -17.333 10.926 -2.821 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -16.444 10.549 -1.325 1.00 2.27 H new ATOM 790 N ASN A 53 -20.927 10.025 -2.460 1.00 1.81 N ATOM 791 CA ASN A 53 -21.848 10.690 -3.314 1.00 1.99 C ATOM 792 C ASN A 53 -23.243 10.152 -3.036 1.00 1.80 C ATOM 793 O ASN A 53 -24.175 10.906 -2.771 1.00 1.82 O ATOM 794 CB ASN A 53 -21.409 10.482 -4.766 1.00 2.39 C ATOM 795 CG ASN A 53 -21.280 9.035 -5.214 1.00 3.10 C ATOM 796 OD1 ASN A 53 -21.258 8.098 -4.412 1.00 3.68 O ATOM 797 ND2 ASN A 53 -21.125 8.852 -6.508 1.00 3.42 N ATOM 0 H ASN A 53 -21.158 9.045 -2.299 1.00 1.81 H new ATOM 0 HA ASN A 53 -21.868 11.764 -3.129 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -22.125 10.983 -5.418 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -20.448 10.975 -4.910 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -20.981 7.912 -6.876 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -21.149 9.650 -7.142 1.00 3.42 H new ATOM 804 N ASP A 54 -23.347 8.829 -3.066 1.00 1.81 N ATOM 805 CA ASP A 54 -24.542 8.115 -2.628 1.00 1.82 C ATOM 806 C ASP A 54 -24.299 6.608 -2.637 1.00 2.08 C ATOM 807 O ASP A 54 -24.588 5.933 -3.626 1.00 2.23 O ATOM 808 CB ASP A 54 -25.742 8.454 -3.493 1.00 2.01 C ATOM 809 CG ASP A 54 -27.003 7.736 -3.042 1.00 2.47 C ATOM 810 OD1 ASP A 54 -27.476 8.007 -1.919 1.00 2.99 O ATOM 811 OD2 ASP A 54 -27.518 6.894 -3.806 1.00 2.69 O ATOM 0 H ASP A 54 -22.601 8.217 -3.397 1.00 1.81 H new ATOM 0 HA ASP A 54 -24.760 8.434 -1.609 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -25.912 9.530 -3.468 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -25.527 8.189 -4.528 1.00 2.01 H new ATOM 816 N LYS A 55 -23.728 6.102 -1.541 1.00 2.27 N ATOM 817 CA LYS A 55 -23.558 4.658 -1.333 1.00 2.75 C ATOM 818 C LYS A 55 -22.750 4.000 -2.446 1.00 1.92 C ATOM 819 O LYS A 55 -23.301 3.348 -3.333 1.00 2.45 O ATOM 820 CB LYS A 55 -24.921 3.973 -1.203 1.00 4.02 C ATOM 821 CG LYS A 55 -25.570 4.166 0.157 1.00 5.04 C ATOM 822 CD LYS A 55 -27.055 3.842 0.119 1.00 5.92 C ATOM 823 CE LYS A 55 -27.831 4.905 -0.643 1.00 6.66 C ATOM 824 NZ LYS A 55 -27.724 6.236 0.016 1.00 7.36 N ATOM 0 H LYS A 55 -23.372 6.676 -0.776 1.00 2.27 H new ATOM 0 HA LYS A 55 -22.997 4.535 -0.406 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -25.588 4.360 -1.973 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -24.802 2.906 -1.392 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -25.076 3.528 0.890 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -25.430 5.196 0.485 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -27.206 2.871 -0.352 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -27.439 3.767 1.136 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -27.453 4.972 -1.663 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -28.879 4.614 -0.710 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -28.102 6.969 -0.618 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -28.269 6.230 0.902 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -26.726 6.440 0.225 1.00 7.36 H new ATOM 838 N LYS A 56 -21.439 4.157 -2.387 1.00 1.27 N ATOM 839 CA LYS A 56 -20.557 3.519 -3.344 1.00 1.10 C ATOM 840 C LYS A 56 -19.219 3.242 -2.674 1.00 1.03 C ATOM 841 O LYS A 56 -18.974 3.731 -1.577 1.00 1.91 O ATOM 842 CB LYS A 56 -20.390 4.404 -4.587 1.00 1.91 C ATOM 843 CG LYS A 56 -19.811 3.672 -5.793 1.00 2.63 C ATOM 844 CD LYS A 56 -20.619 2.428 -6.140 1.00 3.33 C ATOM 845 CE LYS A 56 -22.041 2.760 -6.578 1.00 3.92 C ATOM 846 NZ LYS A 56 -22.069 3.516 -7.860 1.00 4.46 N ATOM 0 H LYS A 56 -20.963 4.722 -1.684 1.00 1.27 H new ATOM 0 HA LYS A 56 -20.987 2.573 -3.673 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -21.360 4.820 -4.858 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -19.742 5.244 -4.338 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -19.791 4.344 -6.651 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -18.779 3.389 -5.586 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -20.115 1.882 -6.937 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -20.654 1.768 -5.273 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -22.611 1.837 -6.689 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -22.532 3.346 -5.801 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -23.050 3.589 -8.199 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -21.683 4.470 -7.709 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -21.494 3.018 -8.569 1.00 4.46 H new ATOM 860 N ILE A 57 -18.366 2.452 -3.323 1.00 0.92 N ATOM 861 CA ILE A 57 -17.078 2.080 -2.752 1.00 0.72 C ATOM 862 C ILE A 57 -17.297 1.213 -1.522 1.00 0.69 C ATOM 863 O ILE A 57 -17.172 1.661 -0.381 1.00 0.80 O ATOM 864 CB ILE A 57 -16.222 3.317 -2.378 1.00 0.65 C ATOM 865 CG1 ILE A 57 -16.123 4.286 -3.561 1.00 0.73 C ATOM 866 CG2 ILE A 57 -14.830 2.889 -1.939 1.00 0.71 C ATOM 867 CD1 ILE A 57 -15.433 5.591 -3.221 1.00 0.75 C ATOM 0 H ILE A 57 -18.546 2.058 -4.246 1.00 0.92 H new ATOM 0 HA ILE A 57 -16.529 1.523 -3.511 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.711 3.828 -1.549 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -15.583 3.800 -4.373 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -17.126 4.500 -3.929 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.243 3.770 -1.680 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -14.907 2.236 -1.069 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -14.341 2.353 -2.752 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -15.400 6.226 -4.106 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.985 6.099 -2.430 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.417 5.388 -2.882 1.00 0.75 H new ATOM 879 N THR A 58 -17.670 -0.032 -1.767 1.00 0.71 N ATOM 880 CA THR A 58 -17.907 -0.971 -0.696 1.00 0.71 C ATOM 881 C THR A 58 -16.586 -1.464 -0.132 1.00 0.71 C ATOM 882 O THR A 58 -15.939 -2.343 -0.711 1.00 0.82 O ATOM 883 CB THR A 58 -18.713 -2.190 -1.178 1.00 0.85 C ATOM 884 OG1 THR A 58 -19.733 -1.778 -2.104 1.00 0.96 O ATOM 885 CG2 THR A 58 -19.356 -2.901 0.006 1.00 0.86 C ATOM 0 H THR A 58 -17.814 -0.412 -2.703 1.00 0.71 H new ATOM 0 HA THR A 58 -18.479 -0.448 0.070 1.00 0.71 H new ATOM 0 HB THR A 58 -18.031 -2.877 -1.679 1.00 0.85 H new ATOM 0 HG1 THR A 58 -20.238 -2.562 -2.405 1.00 0.96 H new ATOM 0 HG21 THR A 58 -19.923 -3.761 -0.350 1.00 0.86 H new ATOM 0 HG22 THR A 58 -18.580 -3.237 0.694 1.00 0.86 H new ATOM 0 HG23 THR A 58 -20.026 -2.214 0.523 1.00 0.86 H new ATOM 893 N PHE A 59 -16.170 -0.878 0.973 1.00 0.67 N ATOM 894 CA PHE A 59 -14.968 -1.324 1.647 1.00 0.77 C ATOM 895 C PHE A 59 -15.201 -2.682 2.291 1.00 0.96 C ATOM 896 O PHE A 59 -16.280 -2.927 2.809 1.00 1.57 O ATOM 897 CB PHE A 59 -14.535 -0.316 2.709 1.00 0.80 C ATOM 898 CG PHE A 59 -14.140 1.020 2.155 1.00 0.72 C ATOM 899 CD1 PHE A 59 -12.947 1.174 1.469 1.00 1.07 C ATOM 900 CD2 PHE A 59 -14.953 2.120 2.331 1.00 1.04 C ATOM 901 CE1 PHE A 59 -12.575 2.406 0.970 1.00 1.10 C ATOM 902 CE2 PHE A 59 -14.586 3.356 1.834 1.00 1.06 C ATOM 903 CZ PHE A 59 -13.396 3.500 1.152 1.00 0.80 C ATOM 0 H PHE A 59 -16.645 -0.095 1.422 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.174 -1.409 0.905 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.351 -0.177 3.418 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -13.695 -0.730 3.267 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -12.301 0.321 1.323 1.00 1.07 H new ATOM 0 HD2 PHE A 59 -15.887 2.014 2.863 1.00 1.04 H new ATOM 0 HE1 PHE A 59 -11.642 2.514 0.437 1.00 1.10 H new ATOM 0 HE2 PHE A 59 -15.231 4.210 1.980 1.00 1.06 H new ATOM 0 HZ PHE A 59 -13.108 4.465 0.762 1.00 0.80 H new ATOM 913 N LEU A 60 -14.197 -3.558 2.204 1.00 1.19 N ATOM 914 CA LEU A 60 -14.187 -4.844 2.920 1.00 1.38 C ATOM 915 C LEU A 60 -15.486 -5.632 2.729 1.00 1.95 C ATOM 916 O LEU A 60 -16.380 -5.597 3.573 1.00 2.65 O ATOM 917 CB LEU A 60 -13.928 -4.605 4.413 1.00 1.84 C ATOM 918 CG LEU A 60 -13.844 -5.867 5.277 1.00 2.35 C ATOM 919 CD1 LEU A 60 -12.666 -6.724 4.853 1.00 2.89 C ATOM 920 CD2 LEU A 60 -13.739 -5.499 6.749 1.00 3.21 C ATOM 0 H LEU A 60 -13.365 -3.399 1.635 1.00 1.19 H new ATOM 0 HA LEU A 60 -13.384 -5.447 2.496 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -12.995 -4.051 4.518 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -14.722 -3.970 4.805 1.00 1.84 H new ATOM 0 HG LEU A 60 -14.757 -6.445 5.134 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -12.622 -7.616 5.478 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -12.786 -7.017 3.810 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -11.743 -6.156 4.967 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -13.680 -6.408 7.348 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -12.843 -4.899 6.911 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -14.618 -4.926 7.044 1.00 3.21 H new ATOM 932 N ASP A 61 -15.581 -6.358 1.626 1.00 2.43 N ATOM 933 CA ASP A 61 -16.774 -7.150 1.339 1.00 3.40 C ATOM 934 C ASP A 61 -16.940 -8.298 2.332 1.00 3.45 C ATOM 935 O ASP A 61 -18.033 -8.529 2.848 1.00 3.73 O ATOM 936 CB ASP A 61 -16.728 -7.707 -0.084 1.00 4.36 C ATOM 937 CG ASP A 61 -17.815 -8.738 -0.331 1.00 5.14 C ATOM 938 OD1 ASP A 61 -18.930 -8.356 -0.735 1.00 5.61 O ATOM 939 OD2 ASP A 61 -17.555 -9.943 -0.111 1.00 5.55 O ATOM 0 H ASP A 61 -14.851 -6.417 0.916 1.00 2.43 H new ATOM 0 HA ASP A 61 -17.631 -6.484 1.436 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -16.837 -6.889 -0.796 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -15.753 -8.159 -0.264 1.00 4.36 H new ATOM 944 N THR A 62 -15.855 -9.020 2.590 1.00 3.65 N ATOM 945 CA THR A 62 -15.909 -10.179 3.468 1.00 4.03 C ATOM 946 C THR A 62 -15.159 -9.923 4.780 1.00 4.27 C ATOM 947 O THR A 62 -13.931 -9.981 4.830 1.00 4.71 O ATOM 948 CB THR A 62 -15.324 -11.427 2.773 1.00 4.83 C ATOM 949 OG1 THR A 62 -15.994 -11.636 1.520 1.00 5.19 O ATOM 950 CG2 THR A 62 -15.483 -12.666 3.641 1.00 5.45 C ATOM 0 H THR A 62 -14.932 -8.823 2.204 1.00 3.65 H new ATOM 0 HA THR A 62 -16.959 -10.359 3.697 1.00 4.03 H new ATOM 0 HB THR A 62 -14.260 -11.257 2.607 1.00 4.83 H new ATOM 0 HG1 THR A 62 -16.549 -10.856 1.312 1.00 5.19 H new ATOM 0 HG21 THR A 62 -15.062 -13.529 3.125 1.00 5.45 H new ATOM 0 HG22 THR A 62 -14.960 -12.518 4.586 1.00 5.45 H new ATOM 0 HG23 THR A 62 -16.541 -12.841 3.835 1.00 5.45 H new ATOM 958 N PRO A 63 -15.898 -9.615 5.860 1.00 4.49 N ATOM 959 CA PRO A 63 -15.317 -9.435 7.187 1.00 5.20 C ATOM 960 C PRO A 63 -15.058 -10.773 7.885 1.00 5.56 C ATOM 961 O PRO A 63 -15.967 -11.367 8.468 1.00 6.11 O ATOM 962 CB PRO A 63 -16.385 -8.631 7.924 1.00 5.69 C ATOM 963 CG PRO A 63 -17.674 -9.025 7.285 1.00 5.34 C ATOM 964 CD PRO A 63 -17.355 -9.398 5.858 1.00 4.58 C ATOM 0 HA PRO A 63 -14.345 -8.943 7.156 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -16.386 -8.860 8.990 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -16.208 -7.560 7.829 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -18.127 -9.865 7.812 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -18.390 -8.204 7.319 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -17.891 -10.296 5.551 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -17.639 -8.605 5.166 1.00 4.58 H new ATOM 972 N GLY A 64 -13.824 -11.253 7.799 1.00 5.49 N ATOM 973 CA GLY A 64 -13.461 -12.501 8.440 1.00 6.04 C ATOM 974 C GLY A 64 -11.966 -12.737 8.423 1.00 5.99 C ATOM 975 O GLY A 64 -11.182 -11.813 8.652 1.00 6.36 O ATOM 0 H GLY A 64 -13.064 -10.797 7.294 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -13.815 -12.495 9.471 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -13.963 -13.326 7.936 1.00 6.04 H new ATOM 979 N HIS A 65 -11.564 -13.972 8.141 1.00 5.85 N ATOM 980 CA HIS A 65 -10.144 -14.316 8.076 1.00 6.04 C ATOM 981 C HIS A 65 -9.587 -13.921 6.719 1.00 5.42 C ATOM 982 O HIS A 65 -8.502 -13.348 6.617 1.00 5.51 O ATOM 983 CB HIS A 65 -9.922 -15.813 8.315 1.00 6.53 C ATOM 984 CG HIS A 65 -10.266 -16.264 9.700 1.00 7.30 C ATOM 985 ND1 HIS A 65 -9.322 -16.682 10.614 1.00 8.05 N ATOM 986 CD2 HIS A 65 -11.461 -16.378 10.319 1.00 7.71 C ATOM 987 CE1 HIS A 65 -9.925 -17.028 11.736 1.00 8.78 C ATOM 988 NE2 HIS A 65 -11.221 -16.854 11.581 1.00 8.61 N ATOM 0 H HIS A 65 -12.197 -14.750 7.954 1.00 5.85 H new ATOM 0 HA HIS A 65 -9.623 -13.769 8.862 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -10.521 -16.378 7.600 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -8.878 -16.052 8.115 1.00 6.53 H new ATOM 0 HD2 HIS A 65 -12.426 -16.138 9.898 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -9.438 -17.392 12.629 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -11.932 -17.043 12.287 1.00 8.61 H new ATOM 997 N GLU A 66 -10.342 -14.230 5.681 1.00 5.13 N ATOM 998 CA GLU A 66 -9.999 -13.792 4.344 1.00 4.83 C ATOM 999 C GLU A 66 -10.852 -12.594 3.980 1.00 4.30 C ATOM 1000 O GLU A 66 -12.039 -12.733 3.681 1.00 4.72 O ATOM 1001 CB GLU A 66 -10.202 -14.908 3.323 1.00 5.31 C ATOM 1002 CG GLU A 66 -9.307 -16.115 3.543 1.00 5.97 C ATOM 1003 CD GLU A 66 -9.491 -17.173 2.475 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -10.354 -18.058 2.651 1.00 6.87 O ATOM 1005 OE2 GLU A 66 -8.768 -17.131 1.460 1.00 7.05 O ATOM 0 H GLU A 66 -11.197 -14.783 5.740 1.00 5.13 H new ATOM 0 HA GLU A 66 -8.944 -13.517 4.328 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -11.243 -15.230 3.354 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -10.020 -14.511 2.324 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -8.265 -15.794 3.557 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -9.520 -16.548 4.520 1.00 5.97 H new ATOM 1012 N ALA A 67 -10.244 -11.419 4.039 1.00 3.82 N ATOM 1013 CA ALA A 67 -10.931 -10.179 3.705 1.00 3.70 C ATOM 1014 C ALA A 67 -11.324 -10.176 2.233 1.00 2.58 C ATOM 1015 O ALA A 67 -12.357 -9.625 1.854 1.00 2.95 O ATOM 1016 CB ALA A 67 -10.046 -8.987 4.035 1.00 4.55 C ATOM 0 H ALA A 67 -9.270 -11.297 4.317 1.00 3.82 H new ATOM 0 HA ALA A 67 -11.841 -10.104 4.300 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -10.569 -8.065 3.782 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -9.812 -8.991 5.100 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -9.122 -9.050 3.461 1.00 4.55 H new ATOM 1022 N PHE A 68 -10.477 -10.781 1.411 1.00 1.79 N ATOM 1023 CA PHE A 68 -10.786 -10.990 0.009 1.00 1.15 C ATOM 1024 C PHE A 68 -11.945 -11.963 -0.126 1.00 1.77 C ATOM 1025 O PHE A 68 -11.891 -13.076 0.400 1.00 2.37 O ATOM 1026 CB PHE A 68 -9.572 -11.557 -0.721 1.00 1.18 C ATOM 1027 CG PHE A 68 -9.044 -10.676 -1.813 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -9.856 -10.315 -2.872 1.00 1.67 C ATOM 1029 CD2 PHE A 68 -7.743 -10.210 -1.778 1.00 1.08 C ATOM 1030 CE1 PHE A 68 -9.379 -9.499 -3.879 1.00 2.10 C ATOM 1031 CE2 PHE A 68 -7.258 -9.396 -2.781 1.00 1.52 C ATOM 1032 CZ PHE A 68 -8.059 -9.052 -3.836 1.00 2.00 C ATOM 0 H PHE A 68 -9.565 -11.137 1.697 1.00 1.79 H new ATOM 0 HA PHE A 68 -11.058 -10.031 -0.432 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -8.777 -11.735 0.003 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -9.837 -12.525 -1.147 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -10.874 -10.675 -2.912 1.00 1.67 H new ATOM 0 HD2 PHE A 68 -7.099 -10.486 -0.956 1.00 1.08 H new ATOM 0 HE1 PHE A 68 -10.025 -9.209 -4.695 1.00 2.10 H new ATOM 0 HE2 PHE A 68 -6.243 -9.029 -2.733 1.00 1.52 H new ATOM 0 HZ PHE A 68 -7.670 -8.436 -4.633 1.00 2.00 H new ATOM 1042 N THR A 69 -12.985 -11.535 -0.822 1.00 2.35 N ATOM 1043 CA THR A 69 -14.138 -12.376 -1.062 1.00 3.31 C ATOM 1044 C THR A 69 -13.725 -13.673 -1.752 1.00 3.54 C ATOM 1045 O THR A 69 -13.079 -13.648 -2.802 1.00 3.89 O ATOM 1046 CB THR A 69 -15.160 -11.649 -1.949 1.00 4.11 C ATOM 1047 OG1 THR A 69 -15.329 -10.301 -1.491 1.00 4.46 O ATOM 1048 CG2 THR A 69 -16.501 -12.369 -1.931 1.00 4.90 C ATOM 0 H THR A 69 -13.051 -10.603 -1.232 1.00 2.35 H new ATOM 0 HA THR A 69 -14.588 -12.605 -0.096 1.00 3.31 H new ATOM 0 HB THR A 69 -14.784 -11.642 -2.972 1.00 4.11 H new ATOM 0 HG1 THR A 69 -15.916 -10.293 -0.706 1.00 4.46 H new ATOM 0 HG21 THR A 69 -17.209 -11.836 -2.566 1.00 4.90 H new ATOM 0 HG22 THR A 69 -16.373 -13.385 -2.303 1.00 4.90 H new ATOM 0 HG23 THR A 69 -16.883 -12.402 -0.911 1.00 4.90 H new ATOM 1056 N THR A 70 -14.067 -14.798 -1.143 1.00 3.82 N ATOM 1057 CA THR A 70 -13.854 -16.082 -1.772 1.00 4.35 C ATOM 1058 C THR A 70 -14.677 -16.161 -3.051 1.00 4.41 C ATOM 1059 O THR A 70 -15.892 -15.944 -3.027 1.00 4.95 O ATOM 1060 CB THR A 70 -14.219 -17.235 -0.816 1.00 5.16 C ATOM 1061 OG1 THR A 70 -15.343 -16.860 0.001 1.00 5.40 O ATOM 1062 CG2 THR A 70 -13.038 -17.593 0.070 1.00 5.84 C ATOM 0 H THR A 70 -14.492 -14.843 -0.217 1.00 3.82 H new ATOM 0 HA THR A 70 -12.797 -16.183 -2.018 1.00 4.35 H new ATOM 0 HB THR A 70 -14.482 -18.107 -1.415 1.00 5.16 H new ATOM 0 HG1 THR A 70 -15.570 -17.598 0.604 1.00 5.40 H new ATOM 0 HG21 THR A 70 -13.317 -18.409 0.737 1.00 5.84 H new ATOM 0 HG22 THR A 70 -12.198 -17.904 -0.551 1.00 5.84 H new ATOM 0 HG23 THR A 70 -12.750 -16.724 0.661 1.00 5.84 H new ATOM 1070 N MET A 71 -14.009 -16.432 -4.165 1.00 4.19 N ATOM 1071 CA MET A 71 -14.648 -16.401 -5.470 1.00 4.50 C ATOM 1072 C MET A 71 -15.719 -17.475 -5.568 1.00 4.86 C ATOM 1073 O MET A 71 -15.429 -18.654 -5.774 1.00 5.21 O ATOM 1074 CB MET A 71 -13.610 -16.567 -6.581 1.00 4.42 C ATOM 1075 CG MET A 71 -12.599 -15.432 -6.638 1.00 4.38 C ATOM 1076 SD MET A 71 -13.371 -13.834 -6.963 1.00 4.69 S ATOM 1077 CE MET A 71 -11.942 -12.753 -6.917 1.00 4.34 C ATOM 0 H MET A 71 -13.019 -16.677 -4.188 1.00 4.19 H new ATOM 0 HA MET A 71 -15.128 -15.430 -5.594 1.00 4.50 H new ATOM 0 HB2 MET A 71 -13.080 -17.508 -6.435 1.00 4.42 H new ATOM 0 HB3 MET A 71 -14.123 -16.635 -7.540 1.00 4.42 H new ATOM 0 HG2 MET A 71 -12.057 -15.385 -5.693 1.00 4.38 H new ATOM 0 HG3 MET A 71 -11.865 -15.642 -7.416 1.00 4.38 H new ATOM 0 HE1 MET A 71 -12.155 -11.844 -7.480 1.00 4.34 H new ATOM 0 HE2 MET A 71 -11.715 -12.494 -5.883 1.00 4.34 H new ATOM 0 HE3 MET A 71 -11.086 -13.262 -7.360 1.00 4.34 H new ATOM 1087 N ARG A 72 -16.964 -17.052 -5.411 1.00 5.04 N ATOM 1088 CA ARG A 72 -18.089 -17.966 -5.403 1.00 5.54 C ATOM 1089 C ARG A 72 -18.726 -18.034 -6.782 1.00 5.80 C ATOM 1090 O ARG A 72 -19.187 -19.089 -7.213 1.00 6.36 O ATOM 1091 CB ARG A 72 -19.120 -17.511 -4.362 1.00 5.95 C ATOM 1092 CG ARG A 72 -20.217 -18.531 -4.091 1.00 6.36 C ATOM 1093 CD ARG A 72 -19.642 -19.838 -3.570 1.00 6.73 C ATOM 1094 NE ARG A 72 -18.836 -19.643 -2.365 1.00 7.09 N ATOM 1095 CZ ARG A 72 -17.562 -20.018 -2.253 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -16.966 -20.673 -3.247 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -16.891 -19.755 -1.139 1.00 8.21 N ATOM 0 H ARG A 72 -17.219 -16.072 -5.287 1.00 5.04 H new ATOM 0 HA ARG A 72 -17.734 -18.962 -5.139 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -18.604 -17.290 -3.427 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -19.578 -16.582 -4.701 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -20.921 -18.126 -3.364 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -20.777 -18.718 -5.007 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -20.455 -20.531 -3.353 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -19.029 -20.298 -4.345 1.00 6.73 H new ATOM 0 HE ARG A 72 -19.275 -19.193 -1.562 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -17.485 -20.890 -4.098 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -15.991 -20.958 -3.157 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -17.350 -19.267 -0.370 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -15.916 -20.041 -1.051 1.00 8.21 H new ATOM 1111 N ALA A 73 -18.736 -16.904 -7.478 1.00 5.58 N ATOM 1112 CA ALA A 73 -19.375 -16.826 -8.783 1.00 6.01 C ATOM 1113 C ALA A 73 -18.493 -16.116 -9.802 1.00 5.86 C ATOM 1114 O ALA A 73 -18.956 -15.736 -10.879 1.00 6.36 O ATOM 1115 CB ALA A 73 -20.712 -16.112 -8.665 1.00 6.36 C ATOM 0 H ALA A 73 -18.310 -16.033 -7.161 1.00 5.58 H new ATOM 0 HA ALA A 73 -19.535 -17.845 -9.136 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -21.183 -16.058 -9.646 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -21.359 -16.662 -7.981 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -20.553 -15.104 -8.283 1.00 6.36 H new ATOM 1121 N ARG A 74 -17.224 -15.930 -9.465 1.00 5.40 N ATOM 1122 CA ARG A 74 -16.302 -15.245 -10.365 1.00 5.50 C ATOM 1123 C ARG A 74 -15.044 -16.067 -10.585 1.00 5.18 C ATOM 1124 O ARG A 74 -14.521 -16.683 -9.655 1.00 5.49 O ATOM 1125 CB ARG A 74 -15.920 -13.865 -9.822 1.00 6.12 C ATOM 1126 CG ARG A 74 -17.068 -12.869 -9.795 1.00 6.76 C ATOM 1127 CD ARG A 74 -16.571 -11.453 -9.547 1.00 7.55 C ATOM 1128 NE ARG A 74 -15.877 -11.323 -8.265 1.00 8.14 N ATOM 1129 CZ ARG A 74 -14.912 -10.433 -8.024 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -14.496 -9.615 -8.977 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -14.355 -10.369 -6.828 1.00 9.65 N ATOM 0 H ARG A 74 -16.811 -16.239 -8.585 1.00 5.40 H new ATOM 0 HA ARG A 74 -16.816 -15.119 -11.318 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -15.529 -13.980 -8.811 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -15.114 -13.457 -10.431 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -17.606 -12.906 -10.742 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -17.776 -13.149 -9.015 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -15.898 -11.160 -10.353 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -17.416 -10.765 -9.571 1.00 7.55 H new ATOM 0 HE ARG A 74 -16.148 -11.952 -7.509 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -14.913 -9.661 -9.907 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -13.758 -8.939 -8.782 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -14.662 -11.000 -6.088 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -13.618 -9.689 -6.645 1.00 9.65 H new ATOM 1145 N GLY A 75 -14.575 -16.087 -11.819 1.00 4.93 N ATOM 1146 CA GLY A 75 -13.316 -16.725 -12.136 1.00 4.87 C ATOM 1147 C GLY A 75 -12.306 -15.720 -12.640 1.00 4.49 C ATOM 1148 O GLY A 75 -11.105 -15.848 -12.395 1.00 4.54 O ATOM 0 H GLY A 75 -15.050 -15.667 -12.618 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -12.925 -17.224 -11.250 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -13.475 -17.495 -12.891 1.00 4.87 H new ATOM 1152 N ALA A 76 -12.803 -14.707 -13.337 1.00 4.53 N ATOM 1153 CA ALA A 76 -11.966 -13.627 -13.826 1.00 4.52 C ATOM 1154 C ALA A 76 -11.917 -12.501 -12.806 1.00 3.91 C ATOM 1155 O ALA A 76 -12.915 -12.212 -12.143 1.00 4.15 O ATOM 1156 CB ALA A 76 -12.498 -13.110 -15.155 1.00 5.47 C ATOM 0 H ALA A 76 -13.790 -14.613 -13.576 1.00 4.53 H new ATOM 0 HA ALA A 76 -10.956 -14.007 -13.978 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -11.862 -12.300 -15.511 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -12.499 -13.919 -15.886 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -13.515 -12.740 -15.021 1.00 5.47 H new ATOM 1162 N GLN A 77 -10.757 -11.879 -12.669 1.00 3.61 N ATOM 1163 CA GLN A 77 -10.601 -10.775 -11.737 1.00 3.40 C ATOM 1164 C GLN A 77 -11.028 -9.470 -12.398 1.00 2.90 C ATOM 1165 O GLN A 77 -10.596 -9.160 -13.510 1.00 3.33 O ATOM 1166 CB GLN A 77 -9.151 -10.672 -11.259 1.00 4.25 C ATOM 1167 CG GLN A 77 -8.945 -9.630 -10.173 1.00 4.87 C ATOM 1168 CD GLN A 77 -7.495 -9.508 -9.747 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -7.040 -10.207 -8.843 1.00 6.14 O ATOM 1170 NE2 GLN A 77 -6.761 -8.618 -10.396 1.00 6.26 N ATOM 0 H GLN A 77 -9.913 -12.119 -13.189 1.00 3.61 H new ATOM 0 HA GLN A 77 -11.237 -10.961 -10.871 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -8.830 -11.644 -10.885 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -8.513 -10.431 -12.109 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -9.297 -8.663 -10.532 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -9.553 -9.889 -9.307 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -7.178 -8.058 -11.140 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -5.779 -8.492 -10.152 1.00 6.26 H new ATOM 1179 N VAL A 78 -11.892 -8.723 -11.722 1.00 2.65 N ATOM 1180 CA VAL A 78 -12.367 -7.450 -12.241 1.00 2.75 C ATOM 1181 C VAL A 78 -11.612 -6.319 -11.532 1.00 2.21 C ATOM 1182 O VAL A 78 -10.431 -6.466 -11.214 1.00 2.72 O ATOM 1183 CB VAL A 78 -13.899 -7.291 -12.044 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -14.469 -6.239 -12.991 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -14.615 -8.621 -12.244 1.00 4.21 C ATOM 0 H VAL A 78 -12.277 -8.978 -10.813 1.00 2.65 H new ATOM 0 HA VAL A 78 -12.177 -7.410 -13.314 1.00 2.75 H new ATOM 0 HB VAL A 78 -14.066 -6.958 -11.020 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -15.543 -6.149 -12.831 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -13.992 -5.278 -12.798 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -14.280 -6.537 -14.022 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -15.687 -8.483 -12.101 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -14.428 -8.986 -13.254 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -14.243 -9.347 -11.521 1.00 4.21 H new ATOM 1195 N THR A 79 -12.271 -5.202 -11.279 1.00 1.82 N ATOM 1196 CA THR A 79 -11.640 -4.102 -10.579 1.00 1.90 C ATOM 1197 C THR A 79 -11.768 -4.281 -9.069 1.00 1.53 C ATOM 1198 O THR A 79 -12.433 -3.505 -8.376 1.00 1.82 O ATOM 1199 CB THR A 79 -12.233 -2.752 -11.010 1.00 2.70 C ATOM 1200 OG1 THR A 79 -12.305 -2.716 -12.441 1.00 3.20 O ATOM 1201 CG2 THR A 79 -11.374 -1.591 -10.519 1.00 3.41 C ATOM 0 H THR A 79 -13.241 -5.035 -11.548 1.00 1.82 H new ATOM 0 HA THR A 79 -10.582 -4.104 -10.843 1.00 1.90 H new ATOM 0 HB THR A 79 -13.226 -2.650 -10.573 1.00 2.70 H new ATOM 0 HG1 THR A 79 -11.908 -1.882 -12.768 1.00 3.20 H new ATOM 0 HG21 THR A 79 -11.819 -0.649 -10.839 1.00 3.41 H new ATOM 0 HG22 THR A 79 -11.318 -1.615 -9.431 1.00 3.41 H new ATOM 0 HG23 THR A 79 -10.371 -1.679 -10.936 1.00 3.41 H new ATOM 1209 N ASP A 80 -11.152 -5.340 -8.577 1.00 1.21 N ATOM 1210 CA ASP A 80 -11.041 -5.564 -7.150 1.00 1.14 C ATOM 1211 C ASP A 80 -9.844 -4.784 -6.636 1.00 0.88 C ATOM 1212 O ASP A 80 -8.768 -4.832 -7.232 1.00 1.12 O ATOM 1213 CB ASP A 80 -10.882 -7.061 -6.844 1.00 1.60 C ATOM 1214 CG ASP A 80 -12.119 -7.876 -7.191 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -12.345 -8.141 -8.393 1.00 2.60 O ATOM 1216 OD2 ASP A 80 -12.878 -8.249 -6.263 1.00 2.66 O ATOM 0 H ASP A 80 -10.718 -6.063 -9.151 1.00 1.21 H new ATOM 0 HA ASP A 80 -11.949 -5.223 -6.652 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -10.030 -7.451 -7.400 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -10.656 -7.187 -5.785 1.00 1.60 H new ATOM 1221 N ILE A 81 -10.036 -4.034 -5.564 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.986 -3.175 -5.038 1.00 0.42 C ATOM 1223 C ILE A 81 -8.759 -3.470 -3.563 1.00 0.38 C ATOM 1224 O ILE A 81 -9.713 -3.744 -2.831 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.353 -1.680 -5.210 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.709 -1.379 -6.670 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.205 -0.790 -4.752 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -10.185 0.040 -6.903 1.00 0.71 C ATOM 0 H ILE A 81 -10.910 -4.002 -5.039 1.00 0.63 H new ATOM 0 HA ILE A 81 -8.074 -3.379 -5.598 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.224 -1.468 -4.589 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.835 -1.566 -7.293 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.486 -2.071 -6.995 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.482 0.256 -4.881 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.993 -0.982 -3.700 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.317 -1.006 -5.347 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -10.418 0.177 -7.959 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -11.079 0.226 -6.307 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.402 0.739 -6.611 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.510 -3.430 -3.112 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.234 -3.670 -1.705 1.00 0.28 C ATOM 1242 C VAL A 82 -6.545 -2.494 -1.056 1.00 0.23 C ATOM 1243 O VAL A 82 -5.475 -2.064 -1.482 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.403 -4.952 -1.472 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.776 -4.961 -0.077 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.300 -6.158 -1.647 1.00 1.17 C ATOM 0 H VAL A 82 -6.690 -3.238 -3.688 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.208 -3.809 -1.236 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.592 -4.982 -2.199 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.198 -5.875 0.056 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.120 -4.098 0.032 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -6.563 -4.916 0.676 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.722 -7.068 -1.484 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -8.116 -6.112 -0.926 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.709 -6.164 -2.657 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.183 -1.977 -0.028 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.575 -0.984 0.821 1.00 0.19 C ATOM 1258 C ILE A 83 -5.713 -1.666 1.845 1.00 0.19 C ATOM 1259 O ILE A 83 -6.088 -2.691 2.397 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.620 -0.104 1.538 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.248 0.821 0.520 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -6.992 0.691 2.683 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.107 1.912 1.125 1.00 0.37 C ATOM 0 H ILE A 83 -8.133 -2.234 0.239 1.00 0.22 H new ATOM 0 HA ILE A 83 -5.976 -0.331 0.186 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.385 -0.742 1.980 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.458 1.282 -0.073 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.857 0.231 -0.165 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.757 1.300 3.166 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.563 0.003 3.411 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.208 1.338 2.290 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.521 2.532 0.330 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.920 1.461 1.694 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.499 2.529 1.787 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.552 -1.114 2.084 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.673 -1.655 3.074 1.00 0.23 C ATOM 1277 C LEU A 84 -3.349 -0.555 4.082 1.00 0.24 C ATOM 1278 O LEU A 84 -2.612 0.385 3.784 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.430 -2.248 2.396 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.355 -2.818 3.325 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.469 -1.700 3.818 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -1.972 -3.577 4.498 1.00 1.01 C ATOM 0 H LEU A 84 -4.197 -0.288 1.602 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.142 -2.475 3.619 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.754 -3.041 1.722 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -1.974 -1.473 1.781 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.754 -3.531 2.760 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.296 -2.107 4.479 1.00 0.91 H new ATOM 0 HD12 LEU A 84 0.008 -1.212 2.968 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.070 -0.973 4.363 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.179 -3.967 5.136 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.604 -2.902 5.076 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.574 -4.404 4.120 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.952 -0.656 5.250 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.779 0.329 6.299 1.00 0.27 C ATOM 1296 C VAL A 85 -2.573 -0.006 7.168 1.00 0.25 C ATOM 1297 O VAL A 85 -2.575 -0.988 7.913 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.042 0.413 7.179 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.835 1.392 8.317 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.248 0.814 6.344 1.00 0.40 C ATOM 0 H VAL A 85 -4.576 -1.424 5.499 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.611 1.295 5.822 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.230 -0.573 7.604 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.737 1.437 8.927 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.998 1.063 8.932 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.621 2.381 7.912 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.130 0.868 6.982 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.068 1.788 5.890 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.411 0.073 5.561 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.532 0.802 7.042 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.366 0.683 7.887 1.00 0.20 C ATOM 1312 C VAL A 86 -0.126 1.968 8.657 1.00 0.17 C ATOM 1313 O VAL A 86 0.052 3.037 8.075 1.00 0.22 O ATOM 1314 CB VAL A 86 0.901 0.340 7.085 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.994 -1.154 6.849 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.933 1.092 5.762 1.00 0.64 C ATOM 0 H VAL A 86 -1.476 1.553 6.354 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.568 -0.134 8.579 1.00 0.20 H new ATOM 0 HB VAL A 86 1.765 0.653 7.672 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.897 -1.377 6.280 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.032 -1.672 7.807 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.121 -1.489 6.290 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.840 0.830 5.216 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.061 0.820 5.168 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.922 2.165 5.953 1.00 0.64 H new ATOM 1326 N ALA A 87 -0.142 1.865 9.970 1.00 0.17 N ATOM 1327 CA ALA A 87 0.193 2.990 10.816 1.00 0.18 C ATOM 1328 C ALA A 87 1.674 3.294 10.668 1.00 0.16 C ATOM 1329 O ALA A 87 2.510 2.402 10.814 1.00 0.24 O ATOM 1330 CB ALA A 87 -0.167 2.688 12.257 1.00 0.28 C ATOM 0 H ALA A 87 -0.384 1.012 10.474 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.378 3.867 10.513 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.090 3.542 12.883 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -1.237 2.492 12.331 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.386 1.812 12.594 1.00 0.28 H new ATOM 1336 N ALA A 88 2.003 4.545 10.378 1.00 0.12 N ATOM 1337 CA ALA A 88 3.370 4.908 10.033 1.00 0.14 C ATOM 1338 C ALA A 88 4.281 4.832 11.234 1.00 0.16 C ATOM 1339 O ALA A 88 5.500 4.906 11.107 1.00 0.22 O ATOM 1340 CB ALA A 88 3.423 6.300 9.440 1.00 0.17 C ATOM 0 H ALA A 88 1.344 5.324 10.375 1.00 0.12 H new ATOM 0 HA ALA A 88 3.718 4.190 9.290 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.454 6.550 9.190 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.812 6.335 8.538 1.00 0.17 H new ATOM 0 HB3 ALA A 88 3.041 7.019 10.165 1.00 0.17 H new ATOM 1346 N ASP A 89 3.689 4.697 12.400 1.00 0.16 N ATOM 1347 CA ASP A 89 4.478 4.627 13.622 1.00 0.21 C ATOM 1348 C ASP A 89 4.745 3.173 14.016 1.00 0.22 C ATOM 1349 O ASP A 89 5.382 2.901 15.034 1.00 0.37 O ATOM 1350 CB ASP A 89 3.781 5.375 14.765 1.00 0.30 C ATOM 1351 CG ASP A 89 2.728 4.547 15.470 1.00 0.39 C ATOM 1352 OD1 ASP A 89 1.922 3.895 14.785 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.697 4.560 16.722 1.00 0.58 O ATOM 0 H ASP A 89 2.680 4.634 12.534 1.00 0.16 H new ATOM 0 HA ASP A 89 5.436 5.110 13.431 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.529 5.693 15.491 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.317 6.278 14.369 1.00 0.30 H new ATOM 1358 N ASP A 90 4.271 2.240 13.191 1.00 0.19 N ATOM 1359 CA ASP A 90 4.439 0.815 13.471 1.00 0.23 C ATOM 1360 C ASP A 90 4.898 0.064 12.225 1.00 0.25 C ATOM 1361 O ASP A 90 5.898 -0.653 12.255 1.00 0.42 O ATOM 1362 CB ASP A 90 3.141 0.224 14.008 1.00 0.26 C ATOM 1363 CG ASP A 90 3.353 -1.098 14.716 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.388 -1.244 15.400 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.478 -1.981 14.607 1.00 0.46 O ATOM 0 H ASP A 90 3.770 2.444 12.327 1.00 0.19 H new ATOM 0 HA ASP A 90 5.212 0.705 14.232 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.682 0.932 14.698 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.442 0.083 13.184 1.00 0.26 H new ATOM 1370 N GLY A 91 4.172 0.245 11.126 1.00 0.20 N ATOM 1371 CA GLY A 91 4.590 -0.310 9.852 1.00 0.21 C ATOM 1372 C GLY A 91 3.919 -1.628 9.517 1.00 0.22 C ATOM 1373 O GLY A 91 2.853 -1.936 10.035 1.00 0.37 O ATOM 0 H GLY A 91 3.297 0.769 11.096 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.374 0.410 9.063 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.670 -0.454 9.864 1.00 0.21 H new ATOM 1377 N VAL A 92 4.536 -2.407 8.639 1.00 0.26 N ATOM 1378 CA VAL A 92 3.979 -3.696 8.249 1.00 0.26 C ATOM 1379 C VAL A 92 4.283 -4.734 9.327 1.00 0.24 C ATOM 1380 O VAL A 92 5.388 -4.791 9.878 1.00 0.28 O ATOM 1381 CB VAL A 92 4.504 -4.162 6.870 1.00 0.32 C ATOM 1382 CG1 VAL A 92 5.947 -4.629 6.953 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.613 -5.252 6.295 1.00 1.03 C ATOM 0 H VAL A 92 5.418 -2.171 8.185 1.00 0.26 H new ATOM 0 HA VAL A 92 2.899 -3.583 8.152 1.00 0.26 H new ATOM 0 HB VAL A 92 4.475 -3.305 6.197 1.00 0.32 H new ATOM 0 HG11 VAL A 92 6.283 -4.949 5.967 1.00 0.96 H new ATOM 0 HG12 VAL A 92 6.575 -3.809 7.302 1.00 0.96 H new ATOM 0 HG13 VAL A 92 6.020 -5.464 7.650 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.000 -5.565 5.325 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.599 -6.106 6.973 1.00 1.03 H new ATOM 0 HG23 VAL A 92 2.600 -4.868 6.174 1.00 1.03 H new ATOM 1393 N MET A 93 3.283 -5.533 9.630 1.00 0.22 N ATOM 1394 CA MET A 93 3.320 -6.468 10.745 1.00 0.22 C ATOM 1395 C MET A 93 2.727 -7.806 10.288 1.00 0.22 C ATOM 1396 O MET A 93 2.298 -7.910 9.138 1.00 0.23 O ATOM 1397 CB MET A 93 2.520 -5.868 11.906 1.00 0.21 C ATOM 1398 CG MET A 93 3.023 -4.506 12.351 1.00 0.23 C ATOM 1399 SD MET A 93 4.510 -4.614 13.357 1.00 0.28 S ATOM 1400 CE MET A 93 3.793 -5.190 14.889 1.00 0.27 C ATOM 0 H MET A 93 2.408 -5.556 9.105 1.00 0.22 H new ATOM 0 HA MET A 93 4.342 -6.644 11.080 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.475 -5.781 11.609 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.555 -6.553 12.753 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.226 -3.893 11.473 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.241 -4.001 12.918 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.057 -4.504 15.694 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.708 -5.233 14.790 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.176 -6.184 15.119 1.00 0.27 H new ATOM 1410 N PRO A 94 2.699 -8.844 11.156 1.00 0.25 N ATOM 1411 CA PRO A 94 2.181 -10.179 10.805 1.00 0.30 C ATOM 1412 C PRO A 94 0.908 -10.171 9.950 1.00 0.28 C ATOM 1413 O PRO A 94 0.937 -10.598 8.790 1.00 0.31 O ATOM 1414 CB PRO A 94 1.904 -10.798 12.169 1.00 0.37 C ATOM 1415 CG PRO A 94 2.949 -10.215 13.055 1.00 0.58 C ATOM 1416 CD PRO A 94 3.209 -8.820 12.545 1.00 0.30 C ATOM 0 HA PRO A 94 2.893 -10.723 10.184 1.00 0.30 H new ATOM 0 HB2 PRO A 94 0.902 -10.553 12.521 1.00 0.37 H new ATOM 0 HB3 PRO A 94 1.973 -11.885 12.134 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.612 -10.193 14.091 1.00 0.58 H new ATOM 0 HG3 PRO A 94 3.859 -10.814 13.029 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.692 -8.073 13.147 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.271 -8.575 12.576 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.202 -9.679 10.498 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.474 -9.749 9.792 1.00 0.32 C ATOM 1426 C GLN A 95 -1.524 -8.738 8.651 1.00 0.31 C ATOM 1427 O GLN A 95 -2.347 -8.836 7.746 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.656 -9.541 10.742 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.869 -8.108 11.192 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.255 -7.888 11.781 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.202 -7.603 11.051 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.395 -7.988 13.100 1.00 0.34 N ATOM 0 H GLN A 95 -0.244 -9.234 11.415 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.555 -10.750 9.369 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.564 -9.891 10.251 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.509 -10.165 11.623 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.115 -7.847 11.935 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.726 -7.438 10.344 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.592 -8.226 13.682 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.306 -7.827 13.530 1.00 0.34 H new ATOM 1441 N THR A 96 -0.622 -7.774 8.704 1.00 0.26 N ATOM 1442 CA THR A 96 -0.505 -6.772 7.662 1.00 0.25 C ATOM 1443 C THR A 96 0.035 -7.418 6.402 1.00 0.25 C ATOM 1444 O THR A 96 -0.456 -7.182 5.294 1.00 0.31 O ATOM 1445 CB THR A 96 0.442 -5.653 8.096 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.550 -5.661 9.514 1.00 0.24 O ATOM 1447 CG2 THR A 96 -0.067 -4.301 7.638 1.00 0.28 C ATOM 0 H THR A 96 0.046 -7.665 9.467 1.00 0.26 H new ATOM 0 HA THR A 96 -1.491 -6.348 7.474 1.00 0.25 H new ATOM 0 HB THR A 96 1.417 -5.824 7.640 1.00 0.25 H new ATOM 0 HG1 THR A 96 0.982 -4.834 9.814 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.626 -3.523 7.960 1.00 0.28 H new ATOM 0 HG22 THR A 96 -0.144 -4.291 6.551 1.00 0.28 H new ATOM 0 HG23 THR A 96 -1.049 -4.115 8.073 1.00 0.28 H new ATOM 1455 N VAL A 97 1.046 -8.255 6.581 1.00 0.25 N ATOM 1456 CA VAL A 97 1.628 -8.970 5.476 1.00 0.31 C ATOM 1457 C VAL A 97 0.668 -9.993 4.919 1.00 0.23 C ATOM 1458 O VAL A 97 0.595 -10.180 3.714 1.00 0.24 O ATOM 1459 CB VAL A 97 2.909 -9.705 5.852 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.535 -10.233 4.595 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.868 -8.803 6.587 1.00 1.38 C ATOM 0 H VAL A 97 1.475 -8.450 7.486 1.00 0.25 H new ATOM 0 HA VAL A 97 1.858 -8.207 4.733 1.00 0.31 H new ATOM 0 HB VAL A 97 2.669 -10.527 6.526 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.455 -10.763 4.842 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.843 -10.916 4.103 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.763 -9.403 3.926 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.770 -9.360 6.840 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.130 -7.956 5.953 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.398 -8.440 7.501 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.063 -10.662 5.803 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.041 -11.667 5.378 1.00 0.29 C ATOM 1473 C GLU A 98 -2.016 -11.062 4.374 1.00 0.31 C ATOM 1474 O GLU A 98 -2.540 -11.754 3.503 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.815 -12.231 6.578 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.971 -13.054 7.538 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.794 -13.677 8.654 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.462 -14.706 8.406 1.00 1.97 O ATOM 1479 OE2 GLU A 98 -1.777 -13.144 9.782 1.00 2.35 O ATOM 0 H GLU A 98 -0.001 -10.531 6.813 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.497 -12.485 4.906 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.265 -11.403 7.126 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.632 -12.851 6.209 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.462 -13.842 6.984 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -0.198 -12.419 7.972 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.237 -9.760 4.496 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.072 -9.031 3.561 1.00 0.35 C ATOM 1488 C ALA A 99 -2.368 -8.854 2.223 1.00 0.34 C ATOM 1489 O ALA A 99 -2.970 -9.049 1.168 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.455 -7.685 4.150 1.00 0.39 C ATOM 0 H ALA A 99 -1.844 -9.186 5.242 1.00 0.31 H new ATOM 0 HA ALA A 99 -3.979 -9.608 3.384 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.082 -7.143 3.442 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.005 -7.837 5.079 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.554 -7.107 4.353 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.076 -8.531 2.266 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.306 -8.312 1.059 1.00 0.29 C ATOM 1498 C ILE A 100 -0.075 -9.637 0.355 1.00 0.29 C ATOM 1499 O ILE A 100 -0.173 -9.749 -0.868 1.00 0.34 O ATOM 1500 CB ILE A 100 1.063 -7.706 1.387 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.901 -6.346 2.073 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.880 -7.596 0.114 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.175 -5.828 2.708 1.00 0.41 C ATOM 0 H ILE A 100 -0.546 -8.417 3.130 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.866 -7.627 0.423 1.00 0.29 H new ATOM 0 HB ILE A 100 1.593 -8.356 2.084 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.549 -5.619 1.341 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.130 -6.425 2.839 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.855 -7.165 0.343 1.00 0.36 H new ATOM 0 HG22 ILE A 100 2.014 -8.587 -0.319 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.359 -6.956 -0.598 1.00 0.36 H new ATOM 0 HD11 ILE A 100 1.982 -4.862 3.174 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.517 -6.534 3.465 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.943 -5.715 1.943 1.00 0.41 H new ATOM 1515 N ASN A 101 0.238 -10.630 1.160 1.00 0.29 N ATOM 1516 CA ASN A 101 0.499 -11.972 0.691 1.00 0.34 C ATOM 1517 C ASN A 101 -0.739 -12.571 0.053 1.00 0.36 C ATOM 1518 O ASN A 101 -0.643 -13.401 -0.843 1.00 0.43 O ATOM 1519 CB ASN A 101 0.994 -12.823 1.866 1.00 0.44 C ATOM 1520 CG ASN A 101 2.497 -12.805 1.995 1.00 0.53 C ATOM 1521 OD1 ASN A 101 3.219 -12.680 1.004 1.00 0.67 O ATOM 1522 ND2 ASN A 101 2.983 -12.925 3.213 1.00 0.64 N ATOM 0 H ASN A 101 0.319 -10.525 2.171 1.00 0.29 H new ATOM 0 HA ASN A 101 1.272 -11.947 -0.077 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.548 -12.456 2.790 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.655 -13.851 1.735 1.00 0.44 H new ATOM 0 HD21 ASN A 101 3.992 -12.916 3.363 1.00 0.64 H new ATOM 0 HD22 ASN A 101 2.351 -13.026 4.007 1.00 0.64 H new ATOM 1529 N HIS A 102 -1.906 -12.125 0.500 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.154 -12.533 -0.114 1.00 0.43 C ATOM 1531 C HIS A 102 -3.423 -11.686 -1.356 1.00 0.37 C ATOM 1532 O HIS A 102 -4.013 -12.156 -2.330 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.305 -12.398 0.883 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.529 -13.146 0.465 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.058 -14.198 1.177 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.326 -12.981 -0.607 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.134 -14.648 0.560 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.318 -13.925 -0.527 1.00 1.91 N ATOM 0 H HIS A 102 -2.010 -11.482 1.285 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.077 -13.579 -0.411 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -3.979 -12.761 1.858 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.553 -11.343 1.003 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.207 -12.242 -1.386 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -7.756 -15.467 0.889 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.075 -14.048 -1.199 1.00 1.91 H new ATOM 1547 N ALA A 103 -2.984 -10.437 -1.319 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.166 -9.527 -2.441 1.00 0.41 C ATOM 1549 C ALA A 103 -2.338 -9.973 -3.644 1.00 0.40 C ATOM 1550 O ALA A 103 -2.841 -10.026 -4.761 1.00 0.44 O ATOM 1551 CB ALA A 103 -2.806 -8.099 -2.046 1.00 0.47 C ATOM 0 H ALA A 103 -2.497 -10.029 -0.521 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.219 -9.550 -2.723 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -2.950 -7.438 -2.901 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.447 -7.776 -1.225 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -1.764 -8.061 -1.729 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.073 -10.309 -3.416 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.206 -10.782 -4.491 1.00 0.49 C ATOM 1559 C LYS A 104 -0.642 -12.151 -4.940 1.00 0.54 C ATOM 1560 O LYS A 104 -0.530 -12.513 -6.111 1.00 0.66 O ATOM 1561 CB LYS A 104 1.236 -10.828 -4.018 1.00 0.61 C ATOM 1562 CG LYS A 104 1.742 -9.475 -3.613 1.00 0.70 C ATOM 1563 CD LYS A 104 1.655 -8.502 -4.782 1.00 0.84 C ATOM 1564 CE LYS A 104 2.325 -7.173 -4.481 1.00 0.99 C ATOM 1565 NZ LYS A 104 3.795 -7.315 -4.327 1.00 1.66 N ATOM 0 H LYS A 104 -0.626 -10.263 -2.500 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.280 -10.092 -5.331 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.318 -11.513 -3.174 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.865 -11.226 -4.814 1.00 0.61 H new ATOM 0 HG2 LYS A 104 1.158 -9.098 -2.774 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.775 -9.553 -3.273 1.00 0.70 H new ATOM 0 HD2 LYS A 104 2.121 -8.950 -5.659 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.608 -8.330 -5.030 1.00 0.84 H new ATOM 0 HE2 LYS A 104 2.111 -6.468 -5.285 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.903 -6.753 -3.568 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 4.276 -6.630 -4.944 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 4.059 -7.135 -3.337 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 4.080 -8.279 -4.592 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.128 -12.903 -3.976 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.723 -14.218 -4.245 1.00 0.61 C ATOM 1581 C ALA A 105 -2.832 -14.127 -5.298 1.00 0.62 C ATOM 1582 O ALA A 105 -3.082 -15.084 -6.032 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.268 -14.837 -2.967 1.00 0.65 C ATOM 0 H ALA A 105 -1.128 -12.635 -2.992 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.933 -14.858 -4.637 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -2.704 -15.811 -3.191 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -1.458 -14.959 -2.248 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.033 -14.186 -2.545 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.498 -12.976 -5.366 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.545 -12.755 -6.359 1.00 0.64 C ATOM 1591 C ALA A 106 -4.026 -11.934 -7.544 1.00 0.64 C ATOM 1592 O ALA A 106 -4.391 -12.196 -8.691 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.745 -12.073 -5.721 1.00 0.68 C ATOM 0 H ALA A 106 -3.331 -12.184 -4.746 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.856 -13.728 -6.740 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.517 -11.915 -6.474 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.140 -12.702 -4.923 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.440 -11.112 -5.307 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.187 -10.938 -7.227 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.543 -10.044 -8.200 1.00 0.65 C ATOM 1601 C ASN A 107 -3.450 -8.856 -8.462 1.00 0.60 C ATOM 1602 O ASN A 107 -4.109 -8.755 -9.495 1.00 0.85 O ATOM 1603 CB ASN A 107 -2.156 -10.741 -9.502 1.00 0.85 C ATOM 1604 CG ASN A 107 -1.162 -9.950 -10.325 1.00 1.04 C ATOM 1605 OD1 ASN A 107 -1.073 -8.728 -10.220 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.415 -10.641 -11.161 1.00 1.41 N ATOM 0 H ASN A 107 -2.931 -10.726 -6.263 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.603 -9.706 -7.763 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.732 -11.719 -9.272 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -3.054 -10.914 -10.095 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.267 -10.163 -11.750 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -0.518 -11.654 -11.219 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.473 -7.964 -7.492 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.373 -6.839 -7.488 1.00 0.42 C ATOM 1615 C VAL A 108 -3.628 -5.563 -7.105 1.00 0.37 C ATOM 1616 O VAL A 108 -2.726 -5.596 -6.264 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.525 -7.093 -6.489 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.033 -7.869 -5.280 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.129 -5.788 -6.034 1.00 1.35 C ATOM 0 H VAL A 108 -2.859 -8.004 -6.678 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.785 -6.717 -8.490 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.285 -7.682 -7.002 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -5.862 -8.035 -4.592 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.632 -8.830 -5.603 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.252 -7.300 -4.776 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -6.938 -5.987 -5.331 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.364 -5.184 -5.545 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.521 -5.249 -6.896 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.976 -4.428 -7.738 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.443 -3.120 -7.361 1.00 0.33 C ATOM 1631 C PRO A 109 -3.875 -2.712 -5.958 1.00 0.28 C ATOM 1632 O PRO A 109 -5.017 -2.961 -5.542 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.032 -2.160 -8.394 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.508 -3.026 -9.509 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.894 -4.333 -8.881 1.00 0.40 C ATOM 0 HA PRO A 109 -2.353 -3.121 -7.347 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.851 -1.580 -7.969 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.283 -1.448 -8.741 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.357 -2.573 -10.020 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.726 -3.167 -10.255 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.937 -4.337 -8.564 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.768 -5.167 -9.572 1.00 0.40 H new ATOM 1643 N ILE A 110 -2.980 -2.069 -5.232 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.234 -1.787 -3.834 1.00 0.21 C ATOM 1645 C ILE A 110 -3.498 -0.298 -3.612 1.00 0.19 C ATOM 1646 O ILE A 110 -3.083 0.556 -4.397 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.041 -2.254 -2.954 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -1.822 -3.771 -3.079 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.222 -1.867 -1.490 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.906 -4.606 -2.433 1.00 0.60 C ATOM 0 H ILE A 110 -2.082 -1.736 -5.582 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.125 -2.341 -3.540 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.155 -1.739 -3.326 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -1.758 -4.032 -4.135 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -0.863 -4.027 -2.628 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.365 -2.214 -0.913 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.301 -0.783 -1.407 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.131 -2.327 -1.102 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.678 -5.664 -2.565 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -2.957 -4.376 -1.369 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.865 -4.381 -2.899 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.210 -0.023 -2.544 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.451 1.318 -2.052 1.00 0.18 C ATOM 1664 C ILE A 111 -3.948 1.377 -0.626 1.00 0.16 C ATOM 1665 O ILE A 111 -4.691 1.154 0.326 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.956 1.699 -2.082 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.446 1.857 -3.515 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.211 2.995 -1.310 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.955 3.124 -4.161 1.00 0.37 C ATOM 0 H ILE A 111 -4.651 -0.746 -1.975 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.931 2.027 -2.697 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.507 0.890 -1.603 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.115 1.002 -4.104 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.536 1.848 -3.525 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.273 3.238 -1.348 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.905 2.866 -0.272 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.637 3.805 -1.760 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.335 3.183 -5.181 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.308 3.983 -3.591 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.865 3.124 -4.180 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.666 1.599 -0.470 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.113 1.684 0.844 1.00 0.18 C ATOM 1683 C VAL A 112 -2.523 2.978 1.470 1.00 0.20 C ATOM 1684 O VAL A 112 -2.625 4.008 0.812 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.592 1.592 0.863 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.081 1.669 2.273 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.134 0.309 0.230 1.00 0.19 C ATOM 0 H VAL A 112 -1.999 1.722 -1.232 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.498 0.831 1.403 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.193 2.431 0.292 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.007 1.602 2.270 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.385 2.616 2.719 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.494 0.845 2.855 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.955 0.261 0.252 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.546 -0.536 0.781 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.478 0.270 -0.804 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.743 2.903 2.734 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.170 4.042 3.486 1.00 0.24 C ATOM 1699 C ALA A 113 -2.498 4.052 4.831 1.00 0.25 C ATOM 1700 O ALA A 113 -2.850 3.302 5.741 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.680 4.069 3.598 1.00 0.29 C ATOM 0 H ALA A 113 -2.633 2.050 3.283 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.873 4.952 2.964 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.987 4.942 4.173 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.118 4.119 2.601 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -5.024 3.165 4.100 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.489 4.888 4.913 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.756 5.087 6.124 1.00 0.27 C ATOM 1709 C ILE A 114 -1.646 5.783 7.125 1.00 0.30 C ATOM 1710 O ILE A 114 -2.379 6.684 6.770 1.00 0.50 O ATOM 1711 CB ILE A 114 0.511 5.927 5.865 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.548 5.110 5.091 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.099 6.445 7.162 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.306 5.053 3.596 1.00 0.59 C ATOM 0 H ILE A 114 -1.157 5.450 4.129 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.443 4.120 6.517 1.00 0.27 H new ATOM 0 HB ILE A 114 0.226 6.788 5.260 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.536 5.534 5.272 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.560 4.094 5.485 1.00 0.38 H new ATOM 0 HG21 ILE A 114 1.991 7.034 6.948 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.365 7.071 7.670 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.364 5.604 7.803 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.086 4.455 3.124 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.334 4.600 3.402 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.325 6.063 3.186 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.591 5.353 8.357 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.397 5.935 9.407 1.00 0.22 C ATOM 1728 C ASN A 115 -1.463 6.419 10.460 1.00 0.20 C ATOM 1729 O ASN A 115 -0.271 6.101 10.427 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.368 4.896 9.964 1.00 0.33 C ATOM 1731 CG ASN A 115 -4.324 5.504 10.957 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -4.656 6.688 10.869 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.778 4.708 11.902 1.00 0.56 N ATOM 0 H ASN A 115 -0.988 4.590 8.665 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.997 6.763 9.029 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -3.930 4.447 9.145 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -2.807 4.093 10.443 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -5.431 5.065 12.599 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.476 3.734 11.937 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.988 7.210 11.357 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.224 7.717 12.450 1.00 0.20 C ATOM 1742 C LYS A 116 -0.218 8.766 11.990 1.00 0.21 C ATOM 1743 O LYS A 116 0.877 8.884 12.536 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.582 6.543 13.192 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.557 5.846 14.118 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.872 4.864 15.052 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.879 4.049 15.851 1.00 0.51 C ATOM 1748 NZ LYS A 116 -1.215 3.087 16.771 1.00 0.59 N ATOM 0 H LYS A 116 -2.960 7.518 11.345 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.877 8.239 13.150 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.196 5.826 12.468 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.270 6.903 13.769 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -2.090 6.592 14.708 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.303 5.318 13.524 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.239 4.192 14.473 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.219 5.407 15.736 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.514 4.722 16.427 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.530 3.505 15.166 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.570 2.127 16.585 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.187 3.112 16.616 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -1.423 3.349 17.756 1.00 0.59 H new ATOM 1762 N MET A 117 -0.614 9.520 10.965 1.00 0.21 N ATOM 1763 CA MET A 117 0.083 10.750 10.585 1.00 0.28 C ATOM 1764 C MET A 117 -0.239 11.846 11.583 1.00 0.29 C ATOM 1765 O MET A 117 0.386 12.906 11.600 1.00 0.37 O ATOM 1766 CB MET A 117 -0.316 11.192 9.178 1.00 0.38 C ATOM 1767 CG MET A 117 0.420 10.437 8.093 1.00 0.48 C ATOM 1768 SD MET A 117 2.114 10.990 7.908 1.00 0.77 S ATOM 1769 CE MET A 117 2.885 9.405 7.700 1.00 0.92 C ATOM 0 H MET A 117 -1.419 9.299 10.379 1.00 0.21 H new ATOM 0 HA MET A 117 1.156 10.556 10.589 1.00 0.28 H new ATOM 0 HB2 MET A 117 -1.389 11.050 9.049 1.00 0.38 H new ATOM 0 HB3 MET A 117 -0.120 12.259 9.068 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.411 9.372 8.325 1.00 0.48 H new ATOM 0 HG3 MET A 117 -0.106 10.561 7.146 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.967 9.513 7.781 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.529 8.723 8.472 1.00 0.92 H new ATOM 0 HE3 MET A 117 2.633 9.004 6.718 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.237 11.570 12.411 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.572 12.445 13.533 1.00 0.34 C ATOM 1781 C ASP A 118 -0.485 12.342 14.573 1.00 0.33 C ATOM 1782 O ASP A 118 -0.338 13.205 15.443 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.907 12.049 14.167 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.893 10.652 14.749 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.783 9.682 13.965 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -3.033 10.511 15.982 1.00 0.76 O ATOM 0 H ASP A 118 -1.832 10.746 12.329 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.658 13.466 13.162 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -3.155 12.762 14.953 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.694 12.116 13.416 1.00 0.39 H new ATOM 1791 N LYS A 119 0.265 11.264 14.482 1.00 0.23 N ATOM 1792 CA LYS A 119 1.356 11.015 15.392 1.00 0.26 C ATOM 1793 C LYS A 119 2.666 11.500 14.796 1.00 0.28 C ATOM 1794 O LYS A 119 2.984 11.207 13.648 1.00 0.26 O ATOM 1795 CB LYS A 119 1.447 9.525 15.706 1.00 0.29 C ATOM 1796 CG LYS A 119 0.200 8.973 16.370 1.00 0.36 C ATOM 1797 CD LYS A 119 0.422 7.568 16.902 1.00 0.72 C ATOM 1798 CE LYS A 119 1.475 7.538 18.000 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.664 6.169 18.545 1.00 1.17 N ATOM 0 H LYS A 119 0.134 10.539 13.776 1.00 0.23 H new ATOM 0 HA LYS A 119 1.169 11.563 16.316 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.631 8.977 14.782 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.304 9.350 16.356 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.097 9.629 17.188 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.621 8.965 15.653 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.518 7.173 17.289 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.730 6.915 16.085 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.422 7.906 17.606 1.00 0.87 H new ATOM 0 HE3 LYS A 119 1.181 8.212 18.804 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 1.967 6.229 19.538 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 0.767 5.646 18.488 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 2.391 5.672 17.991 1.00 1.17 H new ATOM 1813 N PRO A 120 3.449 12.254 15.583 1.00 0.38 N ATOM 1814 CA PRO A 120 4.773 12.737 15.166 1.00 0.45 C ATOM 1815 C PRO A 120 5.745 11.586 14.927 1.00 0.40 C ATOM 1816 O PRO A 120 6.795 11.755 14.313 1.00 0.45 O ATOM 1817 CB PRO A 120 5.244 13.586 16.347 1.00 0.57 C ATOM 1818 CG PRO A 120 4.418 13.141 17.505 1.00 0.58 C ATOM 1819 CD PRO A 120 3.098 12.713 16.936 1.00 0.48 C ATOM 0 HA PRO A 120 4.727 13.288 14.227 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.306 13.436 16.541 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.103 14.649 16.149 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.899 12.318 18.034 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.288 13.949 18.224 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.644 11.917 17.526 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.385 13.537 16.910 1.00 0.48 H new ATOM 1827 N GLU A 121 5.373 10.413 15.423 1.00 0.35 N ATOM 1828 CA GLU A 121 6.170 9.206 15.253 1.00 0.37 C ATOM 1829 C GLU A 121 5.889 8.572 13.893 1.00 0.30 C ATOM 1830 O GLU A 121 6.324 7.452 13.613 1.00 0.37 O ATOM 1831 CB GLU A 121 5.855 8.222 16.375 1.00 0.48 C ATOM 1832 CG GLU A 121 5.993 8.838 17.751 1.00 0.62 C ATOM 1833 CD GLU A 121 5.732 7.849 18.863 1.00 1.04 C ATOM 1834 OE1 GLU A 121 6.662 7.105 19.228 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.598 7.822 19.377 1.00 1.45 O ATOM 0 H GLU A 121 4.513 10.272 15.953 1.00 0.35 H new ATOM 0 HA GLU A 121 7.227 9.467 15.296 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.839 7.848 16.250 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.522 7.364 16.297 1.00 0.48 H new ATOM 0 HG2 GLU A 121 6.997 9.246 17.862 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.298 9.672 17.842 1.00 0.62 H new ATOM 1842 N ALA A 122 5.132 9.292 13.079 1.00 0.24 N ATOM 1843 CA ALA A 122 4.863 8.904 11.704 1.00 0.22 C ATOM 1844 C ALA A 122 6.161 8.719 10.935 1.00 0.21 C ATOM 1845 O ALA A 122 6.928 9.669 10.751 1.00 0.26 O ATOM 1846 CB ALA A 122 3.990 9.952 11.030 1.00 0.27 C ATOM 0 H ALA A 122 4.685 10.166 13.356 1.00 0.24 H new ATOM 0 HA ALA A 122 4.332 7.952 11.708 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.793 9.654 10.000 1.00 0.27 H new ATOM 0 HB2 ALA A 122 3.047 10.041 11.569 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.504 10.913 11.037 1.00 0.27 H new ATOM 1852 N ASN A 123 6.411 7.491 10.503 1.00 0.21 N ATOM 1853 CA ASN A 123 7.545 7.197 9.645 1.00 0.23 C ATOM 1854 C ASN A 123 6.995 6.611 8.368 1.00 0.23 C ATOM 1855 O ASN A 123 7.080 5.407 8.123 1.00 0.25 O ATOM 1856 CB ASN A 123 8.498 6.196 10.297 1.00 0.26 C ATOM 1857 CG ASN A 123 9.938 6.479 10.025 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.812 6.142 10.822 1.00 0.95 O ATOM 1859 ND2 ASN A 123 10.210 7.095 8.912 1.00 0.52 N ATOM 0 H ASN A 123 5.839 6.679 10.736 1.00 0.21 H new ATOM 0 HA ASN A 123 8.111 8.110 9.459 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.333 6.198 11.374 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.259 5.194 9.940 1.00 0.26 H new ATOM 0 HD21 ASN A 123 11.177 7.315 8.674 1.00 0.52 H new ATOM 0 HD22 ASN A 123 9.456 7.358 8.277 1.00 0.52 H new ATOM 1866 N PRO A 124 6.437 7.476 7.534 1.00 0.25 N ATOM 1867 CA PRO A 124 5.659 7.071 6.373 1.00 0.32 C ATOM 1868 C PRO A 124 6.451 6.278 5.375 1.00 0.33 C ATOM 1869 O PRO A 124 6.168 5.114 5.139 1.00 0.35 O ATOM 1870 CB PRO A 124 5.225 8.389 5.760 1.00 0.40 C ATOM 1871 CG PRO A 124 6.171 9.407 6.290 1.00 0.32 C ATOM 1872 CD PRO A 124 6.518 8.938 7.664 1.00 0.27 C ATOM 0 HA PRO A 124 4.837 6.416 6.660 1.00 0.32 H new ATOM 0 HB2 PRO A 124 5.264 8.347 4.672 1.00 0.40 H new ATOM 0 HB3 PRO A 124 4.197 8.629 6.033 1.00 0.40 H new ATOM 0 HG2 PRO A 124 7.060 9.483 5.663 1.00 0.32 H new ATOM 0 HG3 PRO A 124 5.713 10.396 6.315 1.00 0.32 H new ATOM 0 HD2 PRO A 124 7.514 9.264 7.964 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.820 9.318 8.410 1.00 0.27 H new ATOM 1880 N ASP A 125 7.450 6.914 4.812 1.00 0.37 N ATOM 1881 CA ASP A 125 8.269 6.305 3.783 1.00 0.44 C ATOM 1882 C ASP A 125 9.025 5.108 4.336 1.00 0.34 C ATOM 1883 O ASP A 125 9.522 4.276 3.584 1.00 0.33 O ATOM 1884 CB ASP A 125 9.241 7.330 3.220 1.00 0.61 C ATOM 1885 CG ASP A 125 8.561 8.648 2.918 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.952 8.759 1.832 1.00 1.13 O ATOM 1887 OD2 ASP A 125 8.664 9.591 3.735 1.00 1.44 O ATOM 0 H ASP A 125 7.721 7.868 5.052 1.00 0.37 H new ATOM 0 HA ASP A 125 7.618 5.956 2.982 1.00 0.44 H new ATOM 0 HB2 ASP A 125 10.049 7.494 3.933 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.694 6.938 2.309 1.00 0.61 H new ATOM 1892 N ARG A 126 9.081 5.005 5.657 1.00 0.31 N ATOM 1893 CA ARG A 126 9.727 3.860 6.286 1.00 0.31 C ATOM 1894 C ARG A 126 8.823 2.657 6.135 1.00 0.27 C ATOM 1895 O ARG A 126 9.215 1.636 5.576 1.00 0.30 O ATOM 1896 CB ARG A 126 10.011 4.150 7.763 1.00 0.35 C ATOM 1897 CG ARG A 126 10.705 3.032 8.549 1.00 0.51 C ATOM 1898 CD ARG A 126 9.729 1.970 9.050 1.00 1.24 C ATOM 1899 NE ARG A 126 10.235 1.266 10.230 1.00 1.92 N ATOM 1900 CZ ARG A 126 9.466 0.561 11.069 1.00 2.94 C ATOM 1901 NH1 ARG A 126 8.204 0.284 10.752 1.00 3.49 N ATOM 1902 NH2 ARG A 126 9.968 0.099 12.209 1.00 3.79 N ATOM 0 H ARG A 126 8.693 5.689 6.306 1.00 0.31 H new ATOM 0 HA ARG A 126 10.683 3.659 5.802 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.628 5.046 7.824 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.066 4.380 8.255 1.00 0.35 H new ATOM 0 HG2 ARG A 126 11.455 2.560 7.915 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.233 3.465 9.399 1.00 0.51 H new ATOM 0 HD2 ARG A 126 8.775 2.440 9.291 1.00 1.24 H new ATOM 0 HD3 ARG A 126 9.538 1.250 8.254 1.00 1.24 H new ATOM 0 HE ARG A 126 11.235 1.316 10.425 1.00 1.92 H new ATOM 0 HH11 ARG A 126 7.818 0.609 9.866 1.00 3.49 H new ATOM 0 HH12 ARG A 126 7.623 -0.254 11.395 1.00 3.49 H new ATOM 0 HH21 ARG A 126 10.943 0.281 12.448 1.00 3.79 H new ATOM 0 HH22 ARG A 126 9.379 -0.438 12.845 1.00 3.79 H new ATOM 1916 N VAL A 127 7.600 2.814 6.607 1.00 0.25 N ATOM 1917 CA VAL A 127 6.602 1.748 6.564 1.00 0.28 C ATOM 1918 C VAL A 127 6.140 1.509 5.125 1.00 0.28 C ATOM 1919 O VAL A 127 5.736 0.410 4.740 1.00 0.33 O ATOM 1920 CB VAL A 127 5.416 2.079 7.508 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.974 2.482 8.854 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.498 3.181 6.974 1.00 0.44 C ATOM 0 H VAL A 127 7.266 3.679 7.031 1.00 0.25 H new ATOM 0 HA VAL A 127 7.053 0.822 6.920 1.00 0.28 H new ATOM 0 HB VAL A 127 4.798 1.184 7.586 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.154 2.719 9.532 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.560 1.660 9.266 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.612 3.358 8.736 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.692 3.359 7.685 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.071 4.098 6.838 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.076 2.872 6.018 1.00 0.44 H new ATOM 1932 N MET A 128 6.272 2.556 4.340 1.00 0.27 N ATOM 1933 CA MET A 128 5.993 2.547 2.913 1.00 0.31 C ATOM 1934 C MET A 128 6.990 1.652 2.174 1.00 0.26 C ATOM 1935 O MET A 128 6.624 0.870 1.293 1.00 0.35 O ATOM 1936 CB MET A 128 6.090 3.998 2.448 1.00 0.52 C ATOM 1937 CG MET A 128 5.777 4.269 1.002 1.00 0.81 C ATOM 1938 SD MET A 128 5.799 6.048 0.675 1.00 0.67 S ATOM 1939 CE MET A 128 4.614 6.206 -0.655 1.00 0.46 C ATOM 0 H MET A 128 6.585 3.464 4.683 1.00 0.27 H new ATOM 0 HA MET A 128 5.004 2.142 2.702 1.00 0.31 H new ATOM 0 HB2 MET A 128 5.415 4.597 3.060 1.00 0.52 H new ATOM 0 HB3 MET A 128 7.101 4.352 2.649 1.00 0.52 H new ATOM 0 HG2 MET A 128 6.505 3.767 0.365 1.00 0.81 H new ATOM 0 HG3 MET A 128 4.799 3.859 0.752 1.00 0.81 H new ATOM 0 HE1 MET A 128 5.126 6.527 -1.562 1.00 0.46 H new ATOM 0 HE2 MET A 128 4.134 5.243 -0.831 1.00 0.46 H new ATOM 0 HE3 MET A 128 3.859 6.944 -0.384 1.00 0.46 H new ATOM 1949 N GLN A 129 8.254 1.764 2.558 1.00 0.24 N ATOM 1950 CA GLN A 129 9.317 0.944 1.971 1.00 0.27 C ATOM 1951 C GLN A 129 9.240 -0.514 2.422 1.00 0.30 C ATOM 1952 O GLN A 129 9.722 -1.405 1.725 1.00 0.33 O ATOM 1953 CB GLN A 129 10.694 1.514 2.306 1.00 0.32 C ATOM 1954 CG GLN A 129 11.118 2.654 1.396 1.00 0.42 C ATOM 1955 CD GLN A 129 12.380 3.348 1.875 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.149 3.880 1.076 1.00 1.17 O ATOM 1957 NE2 GLN A 129 12.610 3.334 3.180 1.00 1.31 N ATOM 0 H GLN A 129 8.574 2.415 3.275 1.00 0.24 H new ATOM 0 HA GLN A 129 9.169 0.969 0.891 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.691 1.866 3.338 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.434 0.716 2.243 1.00 0.32 H new ATOM 0 HG2 GLN A 129 11.280 2.269 0.389 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.310 3.382 1.332 1.00 0.42 H new ATOM 0 HE21 GLN A 129 11.947 2.882 3.810 1.00 1.31 H new ATOM 0 HE22 GLN A 129 13.450 3.775 3.555 1.00 1.31 H new ATOM 1966 N GLU A 130 8.643 -0.768 3.582 1.00 0.37 N ATOM 1967 CA GLU A 130 8.453 -2.144 4.031 1.00 0.43 C ATOM 1968 C GLU A 130 7.491 -2.842 3.093 1.00 0.36 C ATOM 1969 O GLU A 130 7.598 -4.042 2.829 1.00 0.35 O ATOM 1970 CB GLU A 130 7.901 -2.196 5.448 1.00 0.61 C ATOM 1971 CG GLU A 130 8.527 -1.180 6.368 1.00 0.63 C ATOM 1972 CD GLU A 130 8.113 -1.367 7.810 1.00 1.04 C ATOM 1973 OE1 GLU A 130 8.720 -2.207 8.504 1.00 1.64 O ATOM 1974 OE2 GLU A 130 7.176 -0.670 8.253 1.00 1.63 O ATOM 0 H GLU A 130 8.288 -0.054 4.219 1.00 0.37 H new ATOM 0 HA GLU A 130 9.422 -2.643 4.026 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.824 -2.033 5.417 1.00 0.61 H new ATOM 0 HB3 GLU A 130 8.061 -3.194 5.857 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.612 -1.248 6.294 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.248 -0.178 6.041 1.00 0.63 H new ATOM 1981 N LEU A 131 6.549 -2.071 2.585 1.00 0.36 N ATOM 1982 CA LEU A 131 5.619 -2.584 1.603 1.00 0.37 C ATOM 1983 C LEU A 131 6.353 -2.933 0.326 1.00 0.29 C ATOM 1984 O LEU A 131 6.050 -3.939 -0.312 1.00 0.32 O ATOM 1985 CB LEU A 131 4.522 -1.569 1.324 1.00 0.49 C ATOM 1986 CG LEU A 131 3.270 -1.696 2.195 1.00 0.71 C ATOM 1987 CD1 LEU A 131 3.611 -1.916 3.655 1.00 1.36 C ATOM 1988 CD2 LEU A 131 2.436 -0.452 2.070 1.00 1.18 C ATOM 0 H LEU A 131 6.409 -1.092 2.836 1.00 0.36 H new ATOM 0 HA LEU A 131 5.156 -3.487 2.000 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.935 -0.569 1.455 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.227 -1.657 0.279 1.00 0.49 H new ATOM 0 HG LEU A 131 2.716 -2.565 1.842 1.00 0.71 H new ATOM 0 HD11 LEU A 131 2.692 -2.000 4.235 1.00 1.36 H new ATOM 0 HD12 LEU A 131 4.191 -2.833 3.759 1.00 1.36 H new ATOM 0 HD13 LEU A 131 4.196 -1.073 4.023 1.00 1.36 H new ATOM 0 HD21 LEU A 131 1.546 -0.547 2.692 1.00 1.18 H new ATOM 0 HD22 LEU A 131 3.017 0.410 2.397 1.00 1.18 H new ATOM 0 HD23 LEU A 131 2.139 -0.316 1.030 1.00 1.18 H new ATOM 2000 N MET A 132 7.347 -2.125 -0.040 1.00 0.25 N ATOM 2001 CA MET A 132 8.096 -2.400 -1.256 1.00 0.26 C ATOM 2002 C MET A 132 9.055 -3.572 -1.049 1.00 0.30 C ATOM 2003 O MET A 132 9.597 -4.113 -2.010 1.00 0.37 O ATOM 2004 CB MET A 132 8.851 -1.169 -1.779 1.00 0.32 C ATOM 2005 CG MET A 132 10.232 -0.966 -1.176 1.00 0.88 C ATOM 2006 SD MET A 132 11.085 0.465 -1.864 1.00 1.60 S ATOM 2007 CE MET A 132 10.925 0.140 -3.620 1.00 1.61 C ATOM 0 H MET A 132 7.644 -1.296 0.475 1.00 0.25 H new ATOM 0 HA MET A 132 7.366 -2.671 -2.019 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.951 -1.254 -2.861 1.00 0.32 H new ATOM 0 HB3 MET A 132 8.250 -0.281 -1.583 1.00 0.32 H new ATOM 0 HG2 MET A 132 10.139 -0.845 -0.097 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.833 -1.859 -1.346 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.689 0.696 -4.164 1.00 1.61 H new ATOM 0 HE2 MET A 132 11.051 -0.927 -3.806 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.938 0.453 -3.959 1.00 1.61 H new ATOM 2017 N GLU A 133 9.236 -3.975 0.208 1.00 0.32 N ATOM 2018 CA GLU A 133 9.964 -5.193 0.518 1.00 0.40 C ATOM 2019 C GLU A 133 9.129 -6.367 0.062 1.00 0.38 C ATOM 2020 O GLU A 133 9.638 -7.382 -0.411 1.00 0.45 O ATOM 2021 CB GLU A 133 10.225 -5.291 2.015 1.00 0.54 C ATOM 2022 CG GLU A 133 11.277 -4.323 2.511 1.00 0.79 C ATOM 2023 CD GLU A 133 12.675 -4.775 2.151 1.00 1.07 C ATOM 2024 OE1 GLU A 133 13.114 -5.823 2.674 1.00 1.53 O ATOM 2025 OE2 GLU A 133 13.335 -4.101 1.336 1.00 1.67 O ATOM 0 H GLU A 133 8.887 -3.472 1.024 1.00 0.32 H new ATOM 0 HA GLU A 133 10.927 -5.190 0.007 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.293 -5.108 2.551 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.536 -6.308 2.255 1.00 0.54 H new ATOM 0 HG2 GLU A 133 11.093 -3.337 2.084 1.00 0.79 H new ATOM 0 HG3 GLU A 133 11.196 -4.222 3.593 1.00 0.79 H new ATOM 2032 N TYR A 134 7.824 -6.197 0.199 1.00 0.35 N ATOM 2033 CA TYR A 134 6.868 -7.143 -0.331 1.00 0.40 C ATOM 2034 C TYR A 134 6.471 -6.737 -1.747 1.00 0.41 C ATOM 2035 O TYR A 134 5.405 -7.099 -2.244 1.00 0.50 O ATOM 2036 CB TYR A 134 5.666 -7.213 0.597 1.00 0.46 C ATOM 2037 CG TYR A 134 6.052 -7.630 2.000 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.730 -8.822 2.219 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.783 -6.816 3.092 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.123 -9.193 3.489 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.184 -7.177 4.365 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.850 -8.368 4.557 1.00 0.80 C ATOM 2043 OH TYR A 134 7.257 -8.730 5.822 1.00 0.95 O ATOM 0 H TYR A 134 7.403 -5.401 0.679 1.00 0.35 H new ATOM 0 HA TYR A 134 7.311 -8.137 -0.387 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.177 -6.239 0.630 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.940 -7.920 0.196 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.953 -9.468 1.383 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.253 -5.887 2.945 1.00 0.88 H new ATOM 0 HE1 TYR A 134 7.643 -10.127 3.644 1.00 1.08 H new ATOM 0 HE2 TYR A 134 5.976 -6.529 5.204 1.00 0.95 H new ATOM 0 HH TYR A 134 6.988 -8.039 6.463 1.00 0.95 H new ATOM 2053 N ASN A 135 7.371 -5.970 -2.373 1.00 0.36 N ATOM 2054 CA ASN A 135 7.241 -5.504 -3.748 1.00 0.43 C ATOM 2055 C ASN A 135 5.927 -4.759 -3.976 1.00 0.48 C ATOM 2056 O ASN A 135 5.169 -5.059 -4.896 1.00 0.64 O ATOM 2057 CB ASN A 135 7.403 -6.677 -4.723 1.00 0.58 C ATOM 2058 CG ASN A 135 7.532 -6.249 -6.167 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.915 -5.116 -6.470 1.00 0.89 O ATOM 2060 ND2 ASN A 135 7.249 -7.169 -7.069 1.00 1.10 N ATOM 0 H ASN A 135 8.229 -5.651 -1.922 1.00 0.36 H new ATOM 0 HA ASN A 135 8.040 -4.787 -3.938 1.00 0.43 H new ATOM 0 HB2 ASN A 135 8.285 -7.252 -4.443 1.00 0.58 H new ATOM 0 HB3 ASN A 135 6.545 -7.342 -4.625 1.00 0.58 H new ATOM 0 HD21 ASN A 135 7.344 -6.956 -8.062 1.00 1.10 H new ATOM 0 HD22 ASN A 135 6.935 -8.093 -6.773 1.00 1.10 H new ATOM 2067 N LEU A 136 5.651 -3.810 -3.098 1.00 0.44 N ATOM 2068 CA LEU A 136 4.555 -2.889 -3.286 1.00 0.54 C ATOM 2069 C LEU A 136 5.101 -1.513 -3.576 1.00 0.41 C ATOM 2070 O LEU A 136 5.688 -0.872 -2.704 1.00 0.47 O ATOM 2071 CB LEU A 136 3.691 -2.849 -2.049 1.00 0.78 C ATOM 2072 CG LEU A 136 2.913 -4.120 -1.770 1.00 0.64 C ATOM 2073 CD1 LEU A 136 2.451 -4.135 -0.328 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.732 -4.225 -2.719 1.00 1.17 C ATOM 0 H LEU A 136 6.181 -3.661 -2.239 1.00 0.44 H new ATOM 0 HA LEU A 136 3.946 -3.223 -4.126 1.00 0.54 H new ATOM 0 HB2 LEU A 136 4.324 -2.632 -1.189 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.986 -2.023 -2.143 1.00 0.78 H new ATOM 0 HG LEU A 136 3.560 -4.982 -1.933 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.893 -5.051 -0.134 1.00 1.36 H new ATOM 0 HD12 LEU A 136 3.317 -4.092 0.332 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.810 -3.273 -0.142 1.00 1.36 H new ATOM 0 HD21 LEU A 136 1.179 -5.141 -2.511 1.00 1.17 H new ATOM 0 HD22 LEU A 136 1.076 -3.366 -2.580 1.00 1.17 H new ATOM 0 HD23 LEU A 136 2.092 -4.244 -3.748 1.00 1.17 H new ATOM 2086 N VAL A 137 4.922 -1.062 -4.795 1.00 0.31 N ATOM 2087 CA VAL A 137 5.531 0.178 -5.215 1.00 0.27 C ATOM 2088 C VAL A 137 4.509 1.282 -5.394 1.00 0.29 C ATOM 2089 O VAL A 137 3.618 1.208 -6.244 1.00 0.33 O ATOM 2090 CB VAL A 137 6.359 0.000 -6.489 1.00 0.29 C ATOM 2091 CG1 VAL A 137 6.851 1.351 -6.998 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.517 -0.936 -6.200 1.00 0.41 C ATOM 0 H VAL A 137 4.364 -1.531 -5.509 1.00 0.31 H new ATOM 0 HA VAL A 137 6.206 0.477 -4.413 1.00 0.27 H new ATOM 0 HB VAL A 137 5.740 -0.437 -7.272 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.438 1.206 -7.905 1.00 0.43 H new ATOM 0 HG12 VAL A 137 5.996 1.990 -7.218 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.471 1.823 -6.236 1.00 0.43 H new ATOM 0 HG21 VAL A 137 8.112 -1.068 -7.103 1.00 0.41 H new ATOM 0 HG22 VAL A 137 8.141 -0.511 -5.413 1.00 0.41 H new ATOM 0 HG23 VAL A 137 7.131 -1.902 -5.875 1.00 0.41 H new ATOM 2102 N PRO A 138 4.632 2.294 -4.532 1.00 0.34 N ATOM 2103 CA PRO A 138 3.859 3.517 -4.570 1.00 0.43 C ATOM 2104 C PRO A 138 3.723 4.094 -5.956 1.00 0.43 C ATOM 2105 O PRO A 138 4.585 3.925 -6.824 1.00 0.45 O ATOM 2106 CB PRO A 138 4.682 4.469 -3.717 1.00 0.53 C ATOM 2107 CG PRO A 138 5.366 3.605 -2.733 1.00 0.54 C ATOM 2108 CD PRO A 138 5.545 2.276 -3.394 1.00 0.39 C ATOM 0 HA PRO A 138 2.839 3.347 -4.226 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.400 5.022 -4.323 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.048 5.205 -3.223 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.328 4.029 -2.446 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.775 3.510 -1.822 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.576 2.132 -3.717 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.308 1.460 -2.711 1.00 0.39 H new ATOM 2116 N GLU A 139 2.651 4.809 -6.127 1.00 0.48 N ATOM 2117 CA GLU A 139 2.374 5.479 -7.387 1.00 0.56 C ATOM 2118 C GLU A 139 3.248 6.717 -7.513 1.00 0.56 C ATOM 2119 O GLU A 139 3.465 7.229 -8.609 1.00 0.64 O ATOM 2120 CB GLU A 139 0.891 5.824 -7.509 1.00 0.71 C ATOM 2121 CG GLU A 139 0.311 6.501 -6.285 1.00 1.35 C ATOM 2122 CD GLU A 139 0.251 8.013 -6.407 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.231 8.693 -6.045 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.783 8.534 -6.868 1.00 2.78 O ATOM 0 H GLU A 139 1.941 4.951 -5.409 1.00 0.48 H new ATOM 0 HA GLU A 139 2.614 4.804 -8.208 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.750 6.475 -8.372 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.331 4.909 -7.705 1.00 0.71 H new ATOM 0 HG2 GLU A 139 -0.694 6.118 -6.108 1.00 1.35 H new ATOM 0 HG3 GLU A 139 0.911 6.237 -5.414 1.00 1.35 H new ATOM 2131 N GLU A 140 3.749 7.183 -6.376 1.00 0.54 N ATOM 2132 CA GLU A 140 4.739 8.247 -6.353 1.00 0.60 C ATOM 2133 C GLU A 140 6.091 7.735 -6.840 1.00 0.56 C ATOM 2134 O GLU A 140 6.933 8.514 -7.278 1.00 0.65 O ATOM 2135 CB GLU A 140 4.884 8.842 -4.941 1.00 0.67 C ATOM 2136 CG GLU A 140 4.793 7.826 -3.822 1.00 0.63 C ATOM 2137 CD GLU A 140 3.375 7.608 -3.344 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.694 6.717 -3.900 1.00 1.57 O ATOM 2139 OE2 GLU A 140 2.934 8.331 -2.428 1.00 1.27 O ATOM 0 H GLU A 140 3.483 6.837 -5.454 1.00 0.54 H new ATOM 0 HA GLU A 140 4.394 9.033 -7.025 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.843 9.355 -4.873 1.00 0.67 H new ATOM 0 HB3 GLU A 140 4.109 9.595 -4.796 1.00 0.67 H new ATOM 0 HG2 GLU A 140 5.206 6.877 -4.164 1.00 0.63 H new ATOM 0 HG3 GLU A 140 5.407 8.158 -2.985 1.00 0.63 H new ATOM 2146 N TRP A 141 6.300 6.421 -6.762 1.00 0.47 N ATOM 2147 CA TRP A 141 7.566 5.837 -7.159 1.00 0.49 C ATOM 2148 C TRP A 141 7.448 5.185 -8.531 1.00 0.51 C ATOM 2149 O TRP A 141 8.445 4.816 -9.145 1.00 0.66 O ATOM 2150 CB TRP A 141 8.030 4.832 -6.121 1.00 0.45 C ATOM 2151 CG TRP A 141 8.148 5.401 -4.735 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.990 6.705 -4.354 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.452 4.676 -3.546 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.139 6.824 -2.995 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.433 5.592 -2.476 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.728 3.339 -3.281 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.675 5.207 -1.164 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 8.972 2.954 -1.979 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.942 3.886 -0.933 1.00 0.52 C ATOM 0 H TRP A 141 5.608 5.750 -6.428 1.00 0.47 H new ATOM 0 HA TRP A 141 8.310 6.630 -7.225 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.332 3.995 -6.102 1.00 0.45 H new ATOM 0 HB3 TRP A 141 8.998 4.433 -6.423 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.778 7.523 -5.026 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.046 7.688 -2.460 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.751 2.614 -4.081 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.653 5.924 -0.357 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.189 1.919 -1.763 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.134 3.554 0.077 1.00 0.52 H new ATOM 2170 N GLY A 142 6.217 5.034 -9.000 1.00 0.45 N ATOM 2171 CA GLY A 142 5.997 4.581 -10.357 1.00 0.50 C ATOM 2172 C GLY A 142 5.580 3.127 -10.468 1.00 0.45 C ATOM 2173 O GLY A 142 5.752 2.517 -11.522 1.00 0.53 O ATOM 0 H GLY A 142 5.368 5.217 -8.465 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.229 5.204 -10.816 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.912 4.730 -10.930 1.00 0.50 H new ATOM 2177 N GLY A 143 5.036 2.555 -9.401 1.00 0.39 N ATOM 2178 CA GLY A 143 4.517 1.210 -9.498 1.00 0.41 C ATOM 2179 C GLY A 143 3.030 1.214 -9.759 1.00 0.45 C ATOM 2180 O GLY A 143 2.565 1.820 -10.726 1.00 0.60 O ATOM 0 H GLY A 143 4.947 2.993 -8.484 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.028 0.678 -10.300 1.00 0.41 H new ATOM 0 HA3 GLY A 143 4.725 0.670 -8.574 1.00 0.41 H new ATOM 2184 N ASP A 144 2.287 0.564 -8.882 1.00 0.40 N ATOM 2185 CA ASP A 144 0.833 0.534 -8.985 1.00 0.45 C ATOM 2186 C ASP A 144 0.188 0.221 -7.639 1.00 0.33 C ATOM 2187 O ASP A 144 -0.512 -0.786 -7.417 1.00 0.35 O ATOM 2188 CB ASP A 144 0.359 -0.441 -10.075 1.00 0.64 C ATOM 2189 CG ASP A 144 0.975 -1.826 -9.970 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.043 -2.045 -10.589 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.391 -2.704 -9.308 1.00 1.91 O ATOM 0 H ASP A 144 2.664 0.048 -8.087 1.00 0.40 H new ATOM 0 HA ASP A 144 0.509 1.531 -9.282 1.00 0.45 H new ATOM 0 HB2 ASP A 144 -0.726 -0.531 -10.022 1.00 0.64 H new ATOM 0 HB3 ASP A 144 0.596 -0.021 -11.053 1.00 0.64 H new ATOM 2196 N THR A 145 0.410 1.138 -6.742 1.00 0.26 N ATOM 2197 CA THR A 145 -0.218 1.120 -5.459 1.00 0.24 C ATOM 2198 C THR A 145 -0.415 2.547 -4.998 1.00 0.27 C ATOM 2199 O THR A 145 0.555 3.264 -4.758 1.00 0.37 O ATOM 2200 CB THR A 145 0.620 0.350 -4.431 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.788 -1.013 -4.849 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.048 0.396 -3.075 1.00 0.30 C ATOM 0 H THR A 145 1.040 1.927 -6.886 1.00 0.26 H new ATOM 0 HA THR A 145 -1.178 0.611 -5.545 1.00 0.24 H new ATOM 0 HB THR A 145 1.601 0.820 -4.358 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.270 -1.171 -5.666 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.556 -0.154 -2.353 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.145 1.433 -2.752 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.037 -0.057 -3.141 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.661 2.972 -4.922 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.959 4.310 -4.496 1.00 0.28 C ATOM 2212 C ILE A 146 -1.736 4.424 -3.006 1.00 0.23 C ATOM 2213 O ILE A 146 -2.573 4.023 -2.197 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.392 4.721 -4.848 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.624 4.600 -6.358 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.653 6.134 -4.377 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.670 5.434 -7.178 1.00 0.63 C ATOM 0 H ILE A 146 -2.477 2.405 -5.151 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.290 4.988 -5.026 1.00 0.28 H new ATOM 0 HB ILE A 146 -4.088 4.052 -4.342 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -3.526 3.555 -6.651 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.647 4.900 -6.587 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.674 6.419 -4.631 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.519 6.188 -3.297 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.954 6.815 -4.864 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.889 5.302 -8.237 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.784 6.485 -6.912 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.646 5.118 -6.977 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.572 4.917 -2.665 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.208 5.146 -1.286 1.00 0.30 C ATOM 2231 C PHE A 147 -0.790 6.458 -0.791 1.00 0.32 C ATOM 2232 O PHE A 147 -0.512 7.519 -1.341 1.00 0.50 O ATOM 2233 CB PHE A 147 1.304 5.190 -1.141 1.00 0.41 C ATOM 2234 CG PHE A 147 1.952 3.850 -0.971 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.999 2.955 -2.017 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.526 3.494 0.237 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.607 1.727 -1.870 1.00 0.33 C ATOM 2238 CE2 PHE A 147 3.137 2.267 0.390 1.00 0.36 C ATOM 2239 CZ PHE A 147 3.181 1.383 -0.666 1.00 0.33 C ATOM 0 H PHE A 147 0.153 5.172 -3.336 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.610 4.326 -0.691 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.727 5.675 -2.021 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.556 5.813 -0.283 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.554 3.219 -2.965 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.495 4.184 1.068 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.633 1.035 -2.698 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.581 1.999 1.337 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.664 0.424 -0.550 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.616 6.377 0.225 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.104 7.556 0.901 1.00 0.27 C ATOM 2251 C CYS A 148 -1.575 7.608 2.332 1.00 0.31 C ATOM 2252 O CYS A 148 -1.935 6.790 3.166 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.624 7.564 0.906 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.366 7.672 -0.742 1.00 0.68 S ATOM 0 H CYS A 148 -1.967 5.498 0.605 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.747 8.436 0.366 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.980 6.657 1.395 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.971 8.406 1.505 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.107 6.625 -0.954 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.712 8.571 2.604 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.124 8.734 3.933 1.00 0.28 C ATOM 2262 C LYS A 149 -1.002 9.645 4.780 1.00 0.28 C ATOM 2263 O LYS A 149 -0.848 10.868 4.773 1.00 0.40 O ATOM 2264 CB LYS A 149 1.308 9.271 3.812 1.00 0.36 C ATOM 2265 CG LYS A 149 1.511 10.149 2.591 1.00 0.56 C ATOM 2266 CD LYS A 149 2.959 10.587 2.421 1.00 0.89 C ATOM 2267 CE LYS A 149 3.890 9.415 2.135 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.272 9.872 1.809 1.00 1.44 N ATOM 0 H LYS A 149 -0.398 9.259 1.920 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.072 7.766 4.432 1.00 0.28 H new ATOM 0 HB2 LYS A 149 1.553 9.842 4.708 1.00 0.36 H new ATOM 0 HB3 LYS A 149 2.002 8.432 3.769 1.00 0.36 H new ATOM 0 HG2 LYS A 149 1.192 9.607 1.701 1.00 0.56 H new ATOM 0 HG3 LYS A 149 0.875 11.031 2.672 1.00 0.56 H new ATOM 0 HD2 LYS A 149 3.025 11.307 1.605 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.290 11.098 3.325 1.00 0.89 H new ATOM 0 HE2 LYS A 149 3.920 8.755 3.002 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.495 8.831 1.304 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.944 9.098 1.985 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.319 10.150 0.808 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.518 10.687 2.407 1.00 1.44 H new ATOM 2282 N LEU A 150 -1.926 9.031 5.509 1.00 0.21 N ATOM 2283 CA LEU A 150 -2.979 9.751 6.189 1.00 0.22 C ATOM 2284 C LEU A 150 -2.984 9.491 7.696 1.00 0.19 C ATOM 2285 O LEU A 150 -2.079 8.890 8.265 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.327 9.326 5.602 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.704 7.859 5.752 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.659 7.646 6.914 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.303 7.331 4.458 1.00 0.84 C ATOM 0 H LEU A 150 -1.961 8.020 5.641 1.00 0.21 H new ATOM 0 HA LEU A 150 -2.804 10.817 6.041 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.107 9.928 6.069 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.329 9.571 4.540 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.794 7.300 5.969 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.907 6.587 6.992 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.186 7.977 7.839 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.570 8.221 6.746 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.567 6.281 4.581 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.197 7.904 4.211 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.575 7.430 3.653 1.00 0.84 H new ATOM 2301 N SER A 151 -4.042 9.959 8.303 1.00 0.26 N ATOM 2302 CA SER A 151 -4.361 9.707 9.689 1.00 0.29 C ATOM 2303 C SER A 151 -5.852 9.846 9.831 1.00 0.25 C ATOM 2304 O SER A 151 -6.421 10.882 9.467 1.00 0.29 O ATOM 2305 CB SER A 151 -3.689 10.668 10.646 1.00 0.46 C ATOM 2306 OG SER A 151 -4.214 10.496 11.953 1.00 1.77 O ATOM 0 H SER A 151 -4.731 10.546 7.833 1.00 0.26 H new ATOM 0 HA SER A 151 -4.001 8.711 9.946 1.00 0.29 H new ATOM 0 HB2 SER A 151 -2.613 10.496 10.652 1.00 0.46 H new ATOM 0 HB3 SER A 151 -3.846 11.694 10.314 1.00 0.46 H new ATOM 0 HG SER A 151 -3.612 9.926 12.475 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.495 8.811 10.305 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.912 8.881 10.564 1.00 0.31 C ATOM 2314 C ALA A 152 -8.155 9.588 11.886 1.00 0.33 C ATOM 2315 O ALA A 152 -9.287 9.911 12.244 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.514 7.498 10.562 1.00 0.41 C ATOM 0 H ALA A 152 -6.063 7.912 10.519 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.397 9.454 9.774 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.584 7.567 10.759 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.353 7.033 9.590 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -8.041 6.894 11.336 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.068 9.837 12.598 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.138 10.573 13.851 1.00 0.34 C ATOM 2324 C LYS A 153 -7.148 12.076 13.606 1.00 0.36 C ATOM 2325 O LYS A 153 -7.960 12.790 14.190 1.00 0.49 O ATOM 2326 CB LYS A 153 -6.002 10.183 14.772 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.421 9.231 15.883 1.00 0.60 C ATOM 2328 CD LYS A 153 -7.140 9.957 17.007 1.00 1.12 C ATOM 2329 CE LYS A 153 -6.178 10.404 18.098 1.00 1.65 C ATOM 2330 NZ LYS A 153 -5.120 11.325 17.600 1.00 2.30 N ATOM 0 H LYS A 153 -6.129 9.542 12.331 1.00 0.30 H new ATOM 0 HA LYS A 153 -8.075 10.309 14.340 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.212 9.717 14.184 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.579 11.084 15.217 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -7.073 8.459 15.474 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.540 8.727 16.281 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -7.661 10.825 16.604 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.898 9.302 17.437 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -6.740 10.900 18.889 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -5.708 9.526 18.542 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -4.613 11.740 18.408 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -4.450 10.796 17.006 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -5.556 12.083 17.038 1.00 2.30 H new ATOM 2344 N THR A 154 -6.257 12.567 12.746 1.00 0.30 N ATOM 2345 CA THR A 154 -6.285 13.981 12.389 1.00 0.39 C ATOM 2346 C THR A 154 -7.264 14.245 11.253 1.00 0.36 C ATOM 2347 O THR A 154 -7.536 15.393 10.900 1.00 0.41 O ATOM 2348 CB THR A 154 -4.893 14.521 12.016 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.113 13.484 11.411 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.177 15.065 13.241 1.00 0.70 C ATOM 0 H THR A 154 -5.524 12.021 12.294 1.00 0.30 H new ATOM 0 HA THR A 154 -6.621 14.514 13.279 1.00 0.39 H new ATOM 0 HB THR A 154 -5.020 15.337 11.304 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.384 13.883 10.892 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.196 15.441 12.952 1.00 0.70 H new ATOM 0 HG22 THR A 154 -4.763 15.876 13.675 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.059 14.269 13.976 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.782 13.153 10.683 1.00 0.30 N ATOM 2359 CA LYS A 155 -8.829 13.216 9.665 1.00 0.32 C ATOM 2360 C LYS A 155 -8.351 13.934 8.422 1.00 0.34 C ATOM 2361 O LYS A 155 -9.074 14.735 7.834 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.080 13.902 10.208 1.00 0.38 C ATOM 2363 CG LYS A 155 -10.984 12.970 10.978 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.356 11.767 10.133 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.535 11.022 10.726 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.698 11.920 10.949 1.00 1.36 N ATOM 0 H LYS A 155 -7.487 12.205 10.915 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.077 12.189 9.396 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -9.782 14.726 10.856 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.638 14.335 9.378 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.484 12.641 11.889 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -11.886 13.500 11.283 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.600 12.092 9.121 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.501 11.096 10.055 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -12.825 10.210 10.059 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.240 10.568 11.672 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.570 11.355 10.992 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.574 12.433 11.845 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.765 12.602 10.166 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.143 13.621 8.010 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.529 14.350 6.901 1.00 0.33 C ATOM 2382 C GLU A 156 -6.586 13.529 5.628 1.00 0.28 C ATOM 2383 O GLU A 156 -7.364 13.791 4.696 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.073 14.673 7.229 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.878 15.191 8.634 1.00 1.30 C ATOM 2386 CD GLU A 156 -3.423 15.386 8.994 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -2.733 14.385 9.277 1.00 2.48 O ATOM 2388 OE2 GLU A 156 -2.961 16.544 8.975 1.00 1.52 O ATOM 0 H GLU A 156 -6.567 12.881 8.412 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.084 15.276 6.752 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -4.469 13.776 7.093 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -4.704 15.415 6.521 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -5.404 16.140 8.742 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.331 14.494 9.339 1.00 1.30 H new ATOM 2395 N GLY A 157 -5.771 12.504 5.620 1.00 0.29 N ATOM 2396 CA GLY A 157 -5.644 11.668 4.463 1.00 0.28 C ATOM 2397 C GLY A 157 -6.911 10.901 4.138 1.00 0.27 C ATOM 2398 O GLY A 157 -7.002 10.300 3.079 1.00 0.29 O ATOM 0 H GLY A 157 -5.185 12.231 6.409 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.370 12.284 3.606 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -4.830 10.961 4.621 1.00 0.28 H new ATOM 2402 N LEU A 158 -7.884 10.905 5.053 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.146 10.227 4.809 1.00 0.28 C ATOM 2404 C LEU A 158 -9.916 10.961 3.737 1.00 0.30 C ATOM 2405 O LEU A 158 -10.532 10.347 2.870 1.00 0.33 O ATOM 2406 CB LEU A 158 -9.983 10.135 6.082 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.530 9.073 7.084 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.534 8.962 8.218 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.358 7.725 6.395 1.00 0.80 C ATOM 0 H LEU A 158 -7.817 11.368 5.960 1.00 0.26 H new ATOM 0 HA LEU A 158 -8.930 9.212 4.477 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -9.971 11.106 6.576 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.017 9.931 5.804 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.566 9.373 7.496 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.201 8.203 8.926 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -10.615 9.922 8.727 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.507 8.681 7.816 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.035 6.982 7.124 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.308 7.416 5.958 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.608 7.811 5.609 1.00 0.80 H new ATOM 2421 N ASP A 159 -9.850 12.283 3.790 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.450 13.106 2.761 1.00 0.38 C ATOM 2423 C ASP A 159 -9.763 12.823 1.442 1.00 0.32 C ATOM 2424 O ASP A 159 -10.408 12.607 0.419 1.00 0.33 O ATOM 2425 CB ASP A 159 -10.328 14.595 3.090 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.071 14.999 4.346 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -12.283 14.709 4.440 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -10.443 15.578 5.260 1.00 2.20 O ATOM 0 H ASP A 159 -9.387 12.804 4.535 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.511 12.862 2.700 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -9.274 14.849 3.203 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.707 15.177 2.250 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.431 12.792 1.484 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.637 12.517 0.286 1.00 0.30 C ATOM 2435 C HIS A 160 -7.858 11.086 -0.206 1.00 0.28 C ATOM 2436 O HIS A 160 -7.737 10.809 -1.398 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.147 12.762 0.572 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.233 12.460 -0.584 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.915 13.381 -1.558 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.553 11.333 -0.902 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.084 12.835 -2.425 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.847 11.595 -2.048 1.00 0.54 N ATOM 0 H HIS A 160 -7.882 12.953 2.328 1.00 0.30 H new ATOM 0 HA HIS A 160 -7.963 13.196 -0.502 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.012 13.804 0.863 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -5.848 12.152 1.424 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.565 10.402 -0.355 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.669 13.321 -3.295 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -3.237 10.936 -2.531 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.192 10.191 0.711 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.375 8.782 0.382 1.00 0.28 C ATOM 2453 C LEU A 161 -9.566 8.608 -0.538 1.00 0.29 C ATOM 2454 O LEU A 161 -9.443 8.060 -1.629 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.582 7.964 1.658 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.599 6.443 1.471 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.258 5.952 0.950 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -8.948 5.752 2.779 1.00 1.16 C ATOM 0 H LEU A 161 -8.343 10.415 1.695 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.479 8.426 -0.127 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.790 8.217 2.363 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.524 8.267 2.114 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.363 6.196 0.734 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.291 4.870 0.824 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.046 6.423 -0.010 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.474 6.211 1.662 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -8.956 4.672 2.629 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.206 6.008 3.535 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -9.933 6.079 3.112 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.710 9.100 -0.090 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.946 9.019 -0.862 1.00 0.37 C ATOM 2472 C LEU A 162 -11.758 9.688 -2.209 1.00 0.38 C ATOM 2473 O LEU A 162 -12.163 9.158 -3.238 1.00 0.45 O ATOM 2474 CB LEU A 162 -13.074 9.715 -0.107 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.089 9.461 1.397 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -14.183 10.274 2.067 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.263 7.977 1.695 1.00 1.51 C ATOM 0 H LEU A 162 -10.811 9.564 0.813 1.00 0.31 H new ATOM 0 HA LEU A 162 -12.201 7.970 -1.011 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -12.999 10.789 -0.279 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -14.027 9.391 -0.526 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.129 9.778 1.804 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -14.177 10.078 3.139 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -14.007 11.335 1.891 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -15.151 9.993 1.653 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.271 7.821 2.774 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.205 7.629 1.271 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -12.438 7.418 1.253 1.00 1.51 H new ATOM 2489 N GLU A 163 -11.126 10.854 -2.186 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.859 11.604 -3.408 1.00 0.44 C ATOM 2491 C GLU A 163 -10.004 10.797 -4.381 1.00 0.41 C ATOM 2492 O GLU A 163 -10.289 10.749 -5.577 1.00 0.50 O ATOM 2493 CB GLU A 163 -10.161 12.917 -3.072 1.00 0.56 C ATOM 2494 CG GLU A 163 -11.023 13.872 -2.266 1.00 1.03 C ATOM 2495 CD GLU A 163 -12.225 14.369 -3.040 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -12.048 15.232 -3.927 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -13.352 13.913 -2.764 1.00 2.57 O ATOM 0 H GLU A 163 -10.788 11.302 -1.334 1.00 0.37 H new ATOM 0 HA GLU A 163 -11.815 11.812 -3.889 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -9.250 12.702 -2.513 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -9.859 13.406 -3.998 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -11.362 13.372 -1.359 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.419 14.724 -1.954 1.00 1.03 H new ATOM 2504 N MET A 164 -8.962 10.153 -3.865 1.00 0.37 N ATOM 2505 CA MET A 164 -8.045 9.397 -4.708 1.00 0.39 C ATOM 2506 C MET A 164 -8.698 8.100 -5.179 1.00 0.37 C ATOM 2507 O MET A 164 -8.537 7.690 -6.328 1.00 0.43 O ATOM 2508 CB MET A 164 -6.751 9.095 -3.951 1.00 0.43 C ATOM 2509 CG MET A 164 -5.534 8.958 -4.854 1.00 0.64 C ATOM 2510 SD MET A 164 -4.692 10.529 -5.159 1.00 0.58 S ATOM 2511 CE MET A 164 -5.972 11.488 -5.971 1.00 0.53 C ATOM 0 H MET A 164 -8.733 10.140 -2.871 1.00 0.37 H new ATOM 0 HA MET A 164 -7.804 10.001 -5.583 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.569 9.890 -3.228 1.00 0.43 H new ATOM 0 HB3 MET A 164 -6.878 8.172 -3.385 1.00 0.43 H new ATOM 0 HG2 MET A 164 -4.831 8.258 -4.402 1.00 0.64 H new ATOM 0 HG3 MET A 164 -5.843 8.528 -5.807 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.516 12.311 -6.521 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.522 10.849 -6.663 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.657 11.887 -5.223 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.438 7.467 -4.280 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.182 6.256 -4.596 1.00 0.38 C ATOM 2523 C ILE A 165 -11.243 6.539 -5.654 1.00 0.44 C ATOM 2524 O ILE A 165 -11.407 5.780 -6.608 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.858 5.682 -3.336 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.810 5.045 -2.416 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.932 4.673 -3.711 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.380 4.510 -1.121 1.00 0.50 C ATOM 0 H ILE A 165 -9.540 7.777 -3.314 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.474 5.524 -4.983 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.339 6.499 -2.799 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.318 4.231 -2.949 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.043 5.785 -2.187 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.395 4.281 -2.805 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.690 5.160 -4.325 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.482 3.854 -4.272 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.579 4.075 -0.523 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -10.847 5.323 -0.565 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.126 3.746 -1.340 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.957 7.639 -5.478 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.989 8.045 -6.419 1.00 0.57 C ATOM 2542 C LEU A 166 -12.392 8.367 -7.780 1.00 0.61 C ATOM 2543 O LEU A 166 -12.998 8.080 -8.809 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.758 9.249 -5.875 1.00 0.66 C ATOM 2545 CG LEU A 166 -14.463 10.088 -6.931 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -15.952 10.180 -6.639 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.840 11.472 -7.001 1.00 1.38 C ATOM 0 H LEU A 166 -11.840 8.271 -4.686 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.682 7.213 -6.544 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.499 8.895 -5.158 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.065 9.888 -5.327 1.00 0.66 H new ATOM 0 HG LEU A 166 -14.340 9.603 -7.900 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -16.437 10.784 -7.406 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -16.385 9.180 -6.638 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -16.104 10.642 -5.664 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -14.352 12.064 -7.760 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -13.935 11.963 -6.033 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -12.785 11.383 -7.261 1.00 1.38 H new ATOM 2559 N LEU A 167 -11.218 8.977 -7.774 1.00 0.56 N ATOM 2560 CA LEU A 167 -10.460 9.193 -8.999 1.00 0.64 C ATOM 2561 C LEU A 167 -10.328 7.878 -9.752 1.00 0.66 C ATOM 2562 O LEU A 167 -10.617 7.791 -10.947 1.00 0.75 O ATOM 2563 CB LEU A 167 -9.070 9.737 -8.673 1.00 0.64 C ATOM 2564 CG LEU A 167 -8.250 10.201 -9.876 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -8.886 11.425 -10.510 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -6.814 10.492 -9.466 1.00 1.51 C ATOM 0 H LEU A 167 -10.766 9.333 -6.932 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.987 9.920 -9.618 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -9.178 10.574 -7.984 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -8.509 8.963 -8.149 1.00 0.64 H new ATOM 0 HG LEU A 167 -8.236 9.399 -10.614 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -8.290 11.743 -11.365 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -9.895 11.180 -10.842 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -8.930 12.232 -9.779 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -6.247 10.821 -10.337 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -6.804 11.276 -8.709 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -6.362 9.588 -9.059 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.920 6.852 -9.022 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.793 5.515 -9.566 1.00 0.69 C ATOM 2580 C VAL A 168 -11.166 4.947 -9.947 1.00 0.77 C ATOM 2581 O VAL A 168 -11.308 4.287 -10.978 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.094 4.582 -8.558 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.051 3.163 -9.075 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.688 5.081 -8.264 1.00 0.66 C ATOM 0 H VAL A 168 -9.668 6.926 -8.036 1.00 0.61 H new ATOM 0 HA VAL A 168 -9.183 5.576 -10.467 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.670 4.589 -7.633 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -8.553 2.525 -8.345 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.067 2.804 -9.237 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.502 3.135 -10.016 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.206 4.412 -7.551 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -7.110 5.104 -9.188 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.739 6.085 -7.843 1.00 0.66 H new ATOM 2594 N SER A 169 -12.179 5.224 -9.129 1.00 0.74 N ATOM 2595 CA SER A 169 -13.536 4.778 -9.423 1.00 0.87 C ATOM 2596 C SER A 169 -14.073 5.440 -10.697 1.00 0.96 C ATOM 2597 O SER A 169 -14.910 4.872 -11.398 1.00 1.12 O ATOM 2598 CB SER A 169 -14.452 5.088 -8.239 1.00 0.88 C ATOM 2599 OG SER A 169 -13.943 4.532 -7.037 1.00 1.35 O ATOM 0 H SER A 169 -12.085 5.753 -8.262 1.00 0.74 H new ATOM 0 HA SER A 169 -13.514 3.701 -9.589 1.00 0.87 H new ATOM 0 HB2 SER A 169 -14.555 6.167 -8.128 1.00 0.88 H new ATOM 0 HB3 SER A 169 -15.448 4.691 -8.433 1.00 0.88 H new ATOM 0 HG SER A 169 -13.114 4.992 -6.789 1.00 1.35 H new ATOM 2605 N GLU A 170 -13.584 6.637 -10.998 1.00 0.96 N ATOM 2606 CA GLU A 170 -14.027 7.376 -12.172 1.00 1.11 C ATOM 2607 C GLU A 170 -13.299 6.888 -13.423 1.00 1.17 C ATOM 2608 O GLU A 170 -13.916 6.638 -14.460 1.00 1.37 O ATOM 2609 CB GLU A 170 -13.776 8.873 -11.971 1.00 1.26 C ATOM 2610 CG GLU A 170 -14.379 9.750 -13.053 1.00 1.84 C ATOM 2611 CD GLU A 170 -13.969 11.198 -12.912 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -14.345 11.831 -11.903 1.00 2.73 O ATOM 2613 OE2 GLU A 170 -13.281 11.718 -13.819 1.00 2.56 O ATOM 0 H GLU A 170 -12.877 7.118 -10.442 1.00 0.96 H new ATOM 0 HA GLU A 170 -15.095 7.206 -12.306 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -14.183 9.173 -11.005 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -12.701 9.049 -11.932 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -14.070 9.381 -14.031 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -15.466 9.677 -13.013 1.00 1.84 H new ATOM 2620 N MET A 171 -11.983 6.733 -13.307 1.00 1.11 N ATOM 2621 CA MET A 171 -11.146 6.320 -14.435 1.00 1.28 C ATOM 2622 C MET A 171 -11.462 4.895 -14.892 1.00 1.54 C ATOM 2623 O MET A 171 -11.027 4.478 -15.962 1.00 1.88 O ATOM 2624 CB MET A 171 -9.663 6.446 -14.073 1.00 1.31 C ATOM 2625 CG MET A 171 -9.274 5.684 -12.818 1.00 1.43 C ATOM 2626 SD MET A 171 -7.629 6.106 -12.217 1.00 1.66 S ATOM 2627 CE MET A 171 -6.600 5.235 -13.394 1.00 1.68 C ATOM 0 H MET A 171 -11.469 6.888 -12.440 1.00 1.11 H new ATOM 0 HA MET A 171 -11.369 6.987 -15.268 1.00 1.28 H new ATOM 0 HB2 MET A 171 -9.062 6.085 -14.908 1.00 1.31 H new ATOM 0 HB3 MET A 171 -9.419 7.500 -13.938 1.00 1.31 H new ATOM 0 HG2 MET A 171 -10.004 5.889 -12.035 1.00 1.43 H new ATOM 0 HG3 MET A 171 -9.317 4.614 -13.022 1.00 1.43 H new ATOM 0 HE1 MET A 171 -5.550 5.401 -13.152 1.00 1.68 H new ATOM 0 HE2 MET A 171 -6.819 4.168 -13.349 1.00 1.68 H new ATOM 0 HE3 MET A 171 -6.804 5.605 -14.399 1.00 1.68 H new ATOM 2637 N GLU A 172 -12.231 4.167 -14.086 1.00 1.62 N ATOM 2638 CA GLU A 172 -12.643 2.797 -14.408 1.00 2.07 C ATOM 2639 C GLU A 172 -13.408 2.733 -15.736 1.00 2.05 C ATOM 2640 O GLU A 172 -13.405 1.711 -16.416 1.00 2.58 O ATOM 2641 CB GLU A 172 -13.505 2.233 -13.264 1.00 2.47 C ATOM 2642 CG GLU A 172 -14.164 0.883 -13.557 1.00 3.01 C ATOM 2643 CD GLU A 172 -13.176 -0.211 -13.917 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -12.064 -0.227 -13.352 1.00 4.27 O ATOM 2645 OE2 GLU A 172 -13.495 -1.065 -14.767 1.00 4.04 O ATOM 0 H GLU A 172 -12.587 4.506 -13.192 1.00 1.62 H new ATOM 0 HA GLU A 172 -11.745 2.189 -14.520 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -12.882 2.131 -12.376 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -14.284 2.957 -13.025 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -14.737 0.571 -12.684 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -14.873 1.005 -14.376 1.00 3.01 H new ATOM 2652 N GLU A 173 -14.035 3.832 -16.125 1.00 1.85 N ATOM 2653 CA GLU A 173 -14.837 3.842 -17.340 1.00 2.28 C ATOM 2654 C GLU A 173 -13.964 4.063 -18.583 1.00 2.77 C ATOM 2655 O GLU A 173 -14.454 4.040 -19.712 1.00 3.47 O ATOM 2656 CB GLU A 173 -15.919 4.918 -17.242 1.00 2.50 C ATOM 2657 CG GLU A 173 -17.057 4.730 -18.237 1.00 2.86 C ATOM 2658 CD GLU A 173 -18.211 5.678 -17.998 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -18.183 6.810 -18.535 1.00 3.82 O ATOM 2660 OE2 GLU A 173 -19.141 5.310 -17.255 1.00 3.91 O ATOM 0 H GLU A 173 -14.006 4.720 -15.624 1.00 1.85 H new ATOM 0 HA GLU A 173 -15.314 2.868 -17.443 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -16.328 4.920 -16.231 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -15.464 5.895 -17.404 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -16.677 4.876 -19.248 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -17.419 3.703 -18.178 1.00 2.86 H new ATOM 2667 N LEU A 174 -12.663 4.246 -18.376 1.00 2.83 N ATOM 2668 CA LEU A 174 -11.737 4.481 -19.488 1.00 3.69 C ATOM 2669 C LEU A 174 -10.494 3.601 -19.369 1.00 3.89 C ATOM 2670 O LEU A 174 -10.344 2.639 -20.118 1.00 4.73 O ATOM 2671 CB LEU A 174 -11.346 5.967 -19.601 1.00 4.31 C ATOM 2672 CG LEU A 174 -10.992 6.689 -18.292 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -9.991 7.801 -18.558 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -12.244 7.266 -17.643 1.00 5.72 C ATOM 0 H LEU A 174 -12.224 4.237 -17.455 1.00 2.83 H new ATOM 0 HA LEU A 174 -12.260 4.207 -20.404 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -10.492 6.044 -20.274 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -12.171 6.501 -20.072 1.00 4.31 H new ATOM 0 HG LEU A 174 -10.546 5.964 -17.611 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -9.749 8.304 -17.622 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -9.083 7.378 -18.988 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -10.422 8.519 -19.255 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -11.973 7.773 -16.717 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -12.712 7.978 -18.323 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -12.944 6.460 -17.423 1.00 5.72 H new ATOM 2686 N LYS A 175 -9.621 3.927 -18.412 1.00 3.42 N ATOM 2687 CA LYS A 175 -8.430 3.123 -18.107 1.00 3.88 C ATOM 2688 C LYS A 175 -7.471 3.019 -19.293 1.00 4.00 C ATOM 2689 O LYS A 175 -7.550 2.089 -20.095 1.00 4.36 O ATOM 2690 CB LYS A 175 -8.861 1.733 -17.643 1.00 4.27 C ATOM 2691 CG LYS A 175 -9.846 1.802 -16.497 1.00 4.29 C ATOM 2692 CD LYS A 175 -10.627 0.517 -16.323 1.00 4.24 C ATOM 2693 CE LYS A 175 -9.799 -0.586 -15.689 1.00 4.99 C ATOM 2694 NZ LYS A 175 -10.658 -1.721 -15.260 1.00 5.49 N ATOM 0 H LYS A 175 -9.718 4.756 -17.825 1.00 3.42 H new ATOM 0 HA LYS A 175 -7.884 3.628 -17.310 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -9.311 1.195 -18.477 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -7.984 1.165 -17.334 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -9.310 2.025 -15.575 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -10.540 2.625 -16.668 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -11.504 0.710 -15.705 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -10.990 0.182 -17.295 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -9.053 -0.939 -16.401 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -9.258 -0.190 -14.830 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -10.078 -2.579 -15.167 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -11.096 -1.498 -14.343 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -11.402 -1.881 -15.969 1.00 5.49 H new ATOM 2708 N ALA A 176 -6.562 3.979 -19.389 1.00 4.26 N ATOM 2709 CA ALA A 176 -5.503 3.943 -20.390 1.00 4.89 C ATOM 2710 C ALA A 176 -4.233 4.527 -19.793 1.00 5.36 C ATOM 2711 O ALA A 176 -3.358 5.032 -20.500 1.00 5.78 O ATOM 2712 CB ALA A 176 -5.914 4.709 -21.638 1.00 5.48 C ATOM 0 H ALA A 176 -6.536 4.798 -18.782 1.00 4.26 H new ATOM 0 HA ALA A 176 -5.320 2.909 -20.683 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -5.109 4.669 -22.371 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -6.813 4.260 -22.061 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -6.116 5.748 -21.377 1.00 5.48 H new ATOM 2718 N ASN A 177 -4.154 4.446 -18.473 1.00 5.66 N ATOM 2719 CA ASN A 177 -3.086 5.066 -17.707 1.00 6.40 C ATOM 2720 C ASN A 177 -3.015 4.441 -16.320 1.00 6.79 C ATOM 2721 O ASN A 177 -4.016 3.928 -15.814 1.00 6.94 O ATOM 2722 CB ASN A 177 -3.330 6.581 -17.582 1.00 6.79 C ATOM 2723 CG ASN A 177 -4.679 6.921 -16.957 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -5.668 6.203 -17.134 1.00 7.72 O ATOM 2725 ND2 ASN A 177 -4.733 8.021 -16.225 1.00 7.88 N ATOM 0 H ASN A 177 -4.834 3.945 -17.901 1.00 5.66 H new ATOM 0 HA ASN A 177 -2.141 4.902 -18.226 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -2.536 7.022 -16.980 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -3.270 7.035 -18.571 1.00 6.79 H new ATOM 0 HD21 ASN A 177 -5.611 8.299 -15.786 1.00 7.88 H new ATOM 0 HD22 ASN A 177 -3.897 8.591 -16.099 1.00 7.88 H new ATOM 2732 N PRO A 178 -1.825 4.432 -15.704 1.00 7.29 N ATOM 2733 CA PRO A 178 -1.637 3.958 -14.345 1.00 8.00 C ATOM 2734 C PRO A 178 -1.745 5.094 -13.329 1.00 8.71 C ATOM 2735 O PRO A 178 -0.705 5.718 -13.011 1.00 9.19 O ATOM 2736 CB PRO A 178 -0.219 3.381 -14.375 1.00 8.54 C ATOM 2737 CG PRO A 178 0.458 3.982 -15.578 1.00 8.16 C ATOM 2738 CD PRO A 178 -0.550 4.859 -16.283 1.00 7.54 C ATOM 2739 OXT PRO A 178 -2.870 5.383 -12.880 1.00 9.00 O ATOM 0 HA PRO A 178 -2.394 3.235 -14.042 1.00 8.00 H new ATOM 0 HB2 PRO A 178 0.321 3.629 -13.461 1.00 8.54 H new ATOM 0 HB3 PRO A 178 -0.243 2.294 -14.446 1.00 8.54 H new ATOM 0 HG2 PRO A 178 1.327 4.566 -15.276 1.00 8.16 H new ATOM 0 HG3 PRO A 178 0.817 3.199 -16.246 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -0.360 5.917 -16.103 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -0.528 4.711 -17.363 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.715 -3.219 15.681 1.00 0.68 P HETATM 2749 O1B GDP A 179 -8.605 -4.577 16.292 1.00 1.61 O HETATM 2750 O2B GDP A 179 -9.978 -3.018 14.855 1.00 1.63 O HETATM 2751 O3B GDP A 179 -7.437 -2.711 14.987 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.910 -2.203 16.989 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.735 -0.878 17.136 1.00 0.75 P HETATM 2754 O1A GDP A 179 -10.297 -0.733 18.503 1.00 0.87 O HETATM 2755 O2A GDP A 179 -10.672 -0.645 15.972 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.576 0.225 16.960 1.00 0.69 O HETATM 2757 C5' GDP A 179 -7.285 0.024 17.532 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.771 1.292 18.180 1.00 0.66 C HETATM 2759 O4' GDP A 179 -5.934 2.007 17.240 1.00 0.63 O HETATM 2760 C3' GDP A 179 -7.818 2.320 18.580 1.00 0.75 C HETATM 2761 O3' GDP A 179 -8.400 2.004 19.840 1.00 0.96 O HETATM 2762 C2' GDP A 179 -7.007 3.611 18.641 1.00 0.75 C HETATM 2763 O2' GDP A 179 -6.339 3.750 19.879 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.971 3.393 17.533 1.00 0.62 C HETATM 2765 N9 GDP A 179 -6.270 4.118 16.303 1.00 0.55 N HETATM 2766 C8 GDP A 179 -7.280 3.842 15.413 1.00 0.62 C HETATM 2767 N7 GDP A 179 -7.308 4.660 14.398 1.00 0.61 N HETATM 2768 C5 GDP A 179 -6.255 5.531 14.627 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.792 6.634 13.864 1.00 0.45 C HETATM 2770 O6 GDP A 179 -6.270 7.092 12.822 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.687 7.244 14.443 1.00 0.37 N HETATM 2772 C2 GDP A 179 -4.114 6.846 15.629 1.00 0.40 C HETATM 2773 N2 GDP A 179 -3.087 7.581 16.071 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.534 5.821 16.355 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.602 5.211 15.798 1.00 0.46 C HETATM 0 HO3' GDP A 179 -9.068 2.683 20.071 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -6.726 3.129 20.531 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.622 7.334 16.945 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.769 8.388 15.534 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.333 -0.773 18.274 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -4.273 8.039 13.957 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.986 3.022 15.542 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.588 -0.301 16.759 1.00 0.65 H new HETATM 0 H4' GDP A 179 -6.275 0.925 19.079 1.00 0.66 H new HETATM 0 H3' GDP A 179 -8.661 2.374 17.892 1.00 0.75 H new HETATM 0 H2' GDP A 179 -7.625 4.502 18.528 1.00 0.75 H new HETATM 0 H1' GDP A 179 -5.016 3.771 17.898 1.00 0.62 H new