USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 34:sc= 0.569 USER MOD Set 1.2: A 50 ASN : amide:sc= -1.13 K(o=-0.57,f=-4!) USER MOD Set 2.1: A 18 ASN : amide:sc= 0.00168 X(o=0.0017,f=0.02) USER MOD Set 2.2: A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -161:sc= -0.253 (180deg=-0.798) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.117 (180deg=-0.268) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 0.206 (180deg=0.0443) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 120:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 145:sc= 1.93 (180deg=0.628) USER MOD Single : A 47 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.39) USER MOD Single : A 54 ASN : amide:sc= -0.849 K(o=-0.85,f=-4.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -130:sc= 1.06 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -50:sc= 0.689 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -55:sc= 0.259 USER MOD Single : A 102 GLN : amide:sc= -0.0956 X(o=-0.096,f=0) USER MOD Single : A 103 SER OG : rot 121:sc= 0.0137 USER MOD Single : A 105 SER OG : rot 41:sc= 0.414 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0564 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.53 K(o=-0.53,f=-11!) USER MOD Single : A 117 LYS NZ :NH3+ 155:sc= -0.0537 (180deg=-0.415) USER MOD Single : A 119 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.09) USER MOD Single : A 121 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 131 TYR OH : rot 173:sc= 0.137 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -8.342 -22.612 2.979 1.00 0.00 N ATOM 49 CA SER A 6 -8.057 -22.730 1.554 1.00 0.00 C ATOM 50 C SER A 6 -7.133 -21.608 1.090 1.00 0.00 C ATOM 51 O SER A 6 -7.324 -21.034 0.019 1.00 0.00 O ATOM 52 CB SER A 6 -9.358 -22.700 0.749 1.00 0.00 C ATOM 53 OG SER A 6 -9.925 -23.995 0.649 1.00 0.00 O ATOM 0 HA SER A 6 -7.555 -23.683 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.068 -22.024 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.163 -22.307 -0.249 1.00 0.00 H new ATOM 0 HG SER A 6 -10.756 -23.949 0.132 1.00 0.00 H new ATOM 59 N GLY A 7 -6.129 -21.302 1.906 1.00 0.00 N ATOM 60 CA GLY A 7 -5.189 -20.250 1.563 1.00 0.00 C ATOM 61 C GLY A 7 -5.852 -18.891 1.461 1.00 0.00 C ATOM 62 O GLY A 7 -6.979 -18.777 0.980 1.00 0.00 O ATOM 0 H GLY A 7 -5.950 -21.763 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.401 -20.211 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.711 -20.490 0.613 1.00 0.00 H new ATOM 66 N MET A 8 -5.152 -17.857 1.918 1.00 0.00 N ATOM 67 CA MET A 8 -5.680 -16.499 1.876 1.00 0.00 C ATOM 68 C MET A 8 -4.560 -15.475 2.027 1.00 0.00 C ATOM 69 O MET A 8 -3.807 -15.502 3.002 1.00 0.00 O ATOM 70 CB MET A 8 -6.721 -16.299 2.979 1.00 0.00 C ATOM 71 CG MET A 8 -7.053 -14.840 3.245 1.00 0.00 C ATOM 72 SD MET A 8 -8.727 -14.612 3.877 1.00 0.00 S ATOM 73 CE MET A 8 -9.634 -14.368 2.352 1.00 0.00 C ATOM 0 H MET A 8 -4.218 -17.934 2.321 1.00 0.00 H new ATOM 0 HA MET A 8 -6.155 -16.351 0.906 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.635 -16.827 2.705 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.355 -16.753 3.900 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.340 -14.434 3.962 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.936 -14.271 2.323 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.589 -13.889 2.569 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.054 -13.734 1.681 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.812 -15.332 1.876 1.00 0.00 H new ATOM 83 N LEU A 9 -4.454 -14.573 1.057 1.00 0.00 N ATOM 84 CA LEU A 9 -3.425 -13.539 1.083 1.00 0.00 C ATOM 85 C LEU A 9 -3.977 -12.235 1.649 1.00 0.00 C ATOM 86 O LEU A 9 -4.958 -11.692 1.142 1.00 0.00 O ATOM 87 CB LEU A 9 -2.875 -13.305 -0.325 1.00 0.00 C ATOM 88 CG LEU A 9 -1.797 -12.228 -0.454 1.00 0.00 C ATOM 89 CD1 LEU A 9 -0.423 -12.811 -0.164 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.832 -11.602 -1.841 1.00 0.00 C ATOM 0 H LEU A 9 -5.068 -14.537 0.243 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.617 -13.881 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.467 -14.246 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.706 -13.039 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.000 -11.448 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.331 -12.030 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.404 -13.211 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.210 -13.611 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.058 -10.838 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.655 -12.372 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.808 -11.148 -2.011 1.00 0.00 H new ATOM 102 N ARG A 10 -3.337 -11.736 2.702 1.00 0.00 N ATOM 103 CA ARG A 10 -3.763 -10.495 3.337 1.00 0.00 C ATOM 104 C ARG A 10 -2.801 -9.357 3.008 1.00 0.00 C ATOM 105 O ARG A 10 -1.586 -9.553 2.957 1.00 0.00 O ATOM 106 CB ARG A 10 -3.855 -10.677 4.853 1.00 0.00 C ATOM 107 CG ARG A 10 -5.211 -11.175 5.326 1.00 0.00 C ATOM 108 CD ARG A 10 -5.272 -11.270 6.842 1.00 0.00 C ATOM 109 NE ARG A 10 -6.376 -12.113 7.294 1.00 0.00 N ATOM 110 CZ ARG A 10 -6.509 -12.541 8.544 1.00 0.00 C ATOM 111 NH1 ARG A 10 -5.613 -12.207 9.462 1.00 0.00 N ATOM 112 NH2 ARG A 10 -7.541 -13.306 8.879 1.00 0.00 N ATOM 0 H ARG A 10 -2.522 -12.172 3.133 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.749 -10.238 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.087 -11.381 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.637 -9.726 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.991 -10.502 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.412 -12.154 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.331 -11.672 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.383 -10.271 7.264 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.083 -12.388 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.818 -11.620 9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.718 -12.537 10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.233 -13.566 8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.642 -13.634 9.839 1.00 0.00 H new ATOM 126 N VAL A 11 -3.351 -8.168 2.785 1.00 0.00 N ATOM 127 CA VAL A 11 -2.542 -6.999 2.462 1.00 0.00 C ATOM 128 C VAL A 11 -2.958 -5.794 3.298 1.00 0.00 C ATOM 129 O VAL A 11 -3.896 -5.077 2.948 1.00 0.00 O ATOM 130 CB VAL A 11 -2.651 -6.637 0.969 1.00 0.00 C ATOM 131 CG1 VAL A 11 -1.700 -5.501 0.625 1.00 0.00 C ATOM 132 CG2 VAL A 11 -2.374 -7.856 0.103 1.00 0.00 C ATOM 0 H VAL A 11 -4.354 -7.989 2.822 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.508 -7.256 2.692 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.668 -6.301 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.791 -5.259 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.951 -4.623 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.676 -5.806 0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.455 -7.581 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.368 -8.225 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.099 -8.637 0.331 1.00 0.00 H new ATOM 142 N ILE A 12 -2.255 -5.578 4.404 1.00 0.00 N ATOM 143 CA ILE A 12 -2.550 -4.458 5.290 1.00 0.00 C ATOM 144 C ILE A 12 -1.897 -3.174 4.790 1.00 0.00 C ATOM 145 O ILE A 12 -0.718 -3.162 4.434 1.00 0.00 O ATOM 146 CB ILE A 12 -2.074 -4.737 6.728 1.00 0.00 C ATOM 147 CG1 ILE A 12 -2.669 -6.050 7.240 1.00 0.00 C ATOM 148 CG2 ILE A 12 -2.455 -3.584 7.644 1.00 0.00 C ATOM 149 CD1 ILE A 12 -1.875 -6.675 8.365 1.00 0.00 C ATOM 0 H ILE A 12 -1.477 -6.163 4.708 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.633 -4.335 5.292 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.988 -4.830 6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.688 -5.869 7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.732 -6.758 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.112 -3.795 8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.988 -2.666 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.538 -3.463 7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.355 -7.602 8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.863 -6.888 8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.834 -5.985 9.208 1.00 0.00 H new ATOM 161 N VAL A 13 -2.670 -2.093 4.767 1.00 0.00 N ATOM 162 CA VAL A 13 -2.166 -0.802 4.313 1.00 0.00 C ATOM 163 C VAL A 13 -2.103 0.197 5.462 1.00 0.00 C ATOM 164 O VAL A 13 -3.116 0.782 5.845 1.00 0.00 O ATOM 165 CB VAL A 13 -3.044 -0.221 3.189 1.00 0.00 C ATOM 166 CG1 VAL A 13 -2.411 1.038 2.614 1.00 0.00 C ATOM 167 CG2 VAL A 13 -3.270 -1.259 2.100 1.00 0.00 C ATOM 0 H VAL A 13 -3.648 -2.085 5.057 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.161 -0.972 3.927 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.013 0.048 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.045 1.435 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.305 1.784 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.429 0.798 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.892 -0.832 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.310 -1.560 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.769 -2.130 2.525 1.00 0.00 H new ATOM 177 N GLU A 14 -0.906 0.389 6.008 1.00 0.00 N ATOM 178 CA GLU A 14 -0.711 1.319 7.114 1.00 0.00 C ATOM 179 C GLU A 14 -1.020 2.750 6.683 1.00 0.00 C ATOM 180 O GLU A 14 -2.054 3.309 7.048 1.00 0.00 O ATOM 181 CB GLU A 14 0.724 1.231 7.637 1.00 0.00 C ATOM 182 CG GLU A 14 1.130 -0.169 8.067 1.00 0.00 C ATOM 183 CD GLU A 14 0.042 -0.877 8.851 1.00 0.00 C ATOM 184 OE1 GLU A 14 -1.044 -1.110 8.281 1.00 0.00 O ATOM 185 OE2 GLU A 14 0.278 -1.200 10.034 1.00 0.00 O ATOM 0 H GLU A 14 -0.057 -0.087 5.702 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.399 1.042 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.407 1.576 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.836 1.909 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.379 -0.758 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.032 -0.111 8.676 1.00 0.00 H new ATOM 192 N SER A 15 -0.116 3.336 5.906 1.00 0.00 N ATOM 193 CA SER A 15 -0.288 4.702 5.428 1.00 0.00 C ATOM 194 C SER A 15 0.817 5.079 4.446 1.00 0.00 C ATOM 195 O SER A 15 1.778 4.333 4.261 1.00 0.00 O ATOM 196 CB SER A 15 -0.295 5.679 6.605 1.00 0.00 C ATOM 197 OG SER A 15 0.793 5.433 7.479 1.00 0.00 O ATOM 0 H SER A 15 0.744 2.886 5.594 1.00 0.00 H new ATOM 0 HA SER A 15 -1.245 4.761 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.242 6.702 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.233 5.587 7.152 1.00 0.00 H new ATOM 0 HG SER A 15 0.767 6.072 8.222 1.00 0.00 H new ATOM 203 N ALA A 16 0.673 6.242 3.820 1.00 0.00 N ATOM 204 CA ALA A 16 1.659 6.720 2.859 1.00 0.00 C ATOM 205 C ALA A 16 2.184 8.097 3.249 1.00 0.00 C ATOM 206 O ALA A 16 1.586 8.789 4.073 1.00 0.00 O ATOM 207 CB ALA A 16 1.059 6.758 1.461 1.00 0.00 C ATOM 0 H ALA A 16 -0.117 6.871 3.961 1.00 0.00 H new ATOM 0 HA ALA A 16 2.499 6.026 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.807 7.117 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.740 5.756 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.200 7.429 1.452 1.00 0.00 H new ATOM 213 N SER A 17 3.305 8.489 2.653 1.00 0.00 N ATOM 214 CA SER A 17 3.913 9.782 2.942 1.00 0.00 C ATOM 215 C SER A 17 4.826 10.221 1.801 1.00 0.00 C ATOM 216 O SER A 17 5.159 9.430 0.919 1.00 0.00 O ATOM 217 CB SER A 17 4.707 9.716 4.248 1.00 0.00 C ATOM 218 OG SER A 17 3.852 9.848 5.371 1.00 0.00 O ATOM 0 H SER A 17 3.811 7.929 1.967 1.00 0.00 H new ATOM 0 HA SER A 17 3.114 10.515 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.243 8.768 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.456 10.507 4.262 1.00 0.00 H new ATOM 0 HG SER A 17 2.990 9.423 5.178 1.00 0.00 H new ATOM 224 N ASN A 18 5.228 11.488 1.826 1.00 0.00 N ATOM 225 CA ASN A 18 6.102 12.033 0.794 1.00 0.00 C ATOM 226 C ASN A 18 5.420 11.999 -0.570 1.00 0.00 C ATOM 227 O ASN A 18 6.067 11.773 -1.593 1.00 0.00 O ATOM 228 CB ASN A 18 7.414 11.248 0.741 1.00 0.00 C ATOM 229 CG ASN A 18 8.155 11.269 2.063 1.00 0.00 C ATOM 230 OD1 ASN A 18 8.778 12.269 2.423 1.00 0.00 O ATOM 231 ND2 ASN A 18 8.091 10.163 2.795 1.00 0.00 N ATOM 0 H ASN A 18 4.962 12.156 2.550 1.00 0.00 H new ATOM 0 HA ASN A 18 6.318 13.071 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.205 10.215 0.461 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.053 11.666 -0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.570 10.118 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.563 9.358 2.458 1.00 0.00 H new ATOM 238 N ILE A 19 4.110 12.225 -0.577 1.00 0.00 N ATOM 239 CA ILE A 19 3.341 12.222 -1.815 1.00 0.00 C ATOM 240 C ILE A 19 3.518 13.532 -2.575 1.00 0.00 C ATOM 241 O ILE A 19 3.392 14.623 -2.018 1.00 0.00 O ATOM 242 CB ILE A 19 1.842 11.995 -1.546 1.00 0.00 C ATOM 243 CG1 ILE A 19 1.609 10.593 -0.980 1.00 0.00 C ATOM 244 CG2 ILE A 19 1.038 12.197 -2.822 1.00 0.00 C ATOM 245 CD1 ILE A 19 0.167 10.143 -1.054 1.00 0.00 C ATOM 0 H ILE A 19 3.560 12.412 0.261 1.00 0.00 H new ATOM 0 HA ILE A 19 3.721 11.399 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 19 1.506 12.724 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.231 9.882 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.935 10.571 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.020 12.033 -2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.183 13.214 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.374 11.489 -3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.077 9.141 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.459 10.831 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.158 10.132 -2.094 1.00 0.00 H new ATOM 257 N PRO A 20 3.814 13.424 -3.878 1.00 0.00 N ATOM 258 CA PRO A 20 4.012 14.591 -4.744 1.00 0.00 C ATOM 259 C PRO A 20 2.714 15.348 -5.001 1.00 0.00 C ATOM 260 O PRO A 20 1.863 14.900 -5.770 1.00 0.00 O ATOM 261 CB PRO A 20 4.542 13.982 -6.044 1.00 0.00 C ATOM 262 CG PRO A 20 4.023 12.586 -6.048 1.00 0.00 C ATOM 263 CD PRO A 20 3.979 12.156 -4.608 1.00 0.00 C ATOM 0 HA PRO A 20 4.684 15.323 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.190 14.537 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.631 13.999 -6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.032 12.539 -6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.670 11.931 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.152 11.472 -4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.893 11.640 -4.315 1.00 0.00 H new ATOM 271 N LYS A 21 2.567 16.499 -4.354 1.00 0.00 N ATOM 272 CA LYS A 21 1.373 17.321 -4.514 1.00 0.00 C ATOM 273 C LYS A 21 1.147 17.672 -5.981 1.00 0.00 C ATOM 274 O LYS A 21 1.874 17.210 -6.861 1.00 0.00 O ATOM 275 CB LYS A 21 1.496 18.601 -3.685 1.00 0.00 C ATOM 276 CG LYS A 21 2.767 19.385 -3.960 1.00 0.00 C ATOM 277 CD LYS A 21 2.799 20.689 -3.181 1.00 0.00 C ATOM 278 CE LYS A 21 3.396 20.497 -1.796 1.00 0.00 C ATOM 279 NZ LYS A 21 3.727 21.797 -1.149 1.00 0.00 N ATOM 0 H LYS A 21 3.261 16.884 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 21 0.517 16.747 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.635 19.239 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.460 18.343 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.633 18.780 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.842 19.596 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.382 21.428 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.787 21.085 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.692 19.949 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.297 19.889 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.131 21.623 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.418 22.309 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.863 22.368 -1.055 1.00 0.00 H new ATOM 293 N THR A 22 0.134 18.495 -6.238 1.00 0.00 N ATOM 294 CA THR A 22 -0.188 18.908 -7.598 1.00 0.00 C ATOM 295 C THR A 22 -0.293 20.425 -7.701 1.00 0.00 C ATOM 296 O THR A 22 -0.097 21.140 -6.718 1.00 0.00 O ATOM 297 CB THR A 22 -1.509 18.279 -8.078 1.00 0.00 C ATOM 298 OG1 THR A 22 -2.621 19.020 -7.561 1.00 0.00 O ATOM 299 CG2 THR A 22 -1.611 16.828 -7.635 1.00 0.00 C ATOM 0 H THR A 22 -0.477 18.888 -5.522 1.00 0.00 H new ATOM 0 HA THR A 22 0.624 18.559 -8.235 1.00 0.00 H new ATOM 0 HB THR A 22 -1.526 18.311 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.457 18.615 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.553 16.406 -7.986 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.780 16.260 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.573 16.776 -6.547 1.00 0.00 H new ATOM 356 N LYS A 26 -3.222 19.586 -2.738 1.00 0.00 N ATOM 357 CA LYS A 26 -3.133 18.251 -2.160 1.00 0.00 C ATOM 358 C LYS A 26 -4.198 17.331 -2.749 1.00 0.00 C ATOM 359 O LYS A 26 -5.380 17.420 -2.418 1.00 0.00 O ATOM 360 CB LYS A 26 -3.287 18.319 -0.639 1.00 0.00 C ATOM 361 CG LYS A 26 -2.200 19.130 0.046 1.00 0.00 C ATOM 362 CD LYS A 26 -2.232 18.942 1.554 1.00 0.00 C ATOM 363 CE LYS A 26 -0.885 19.261 2.183 1.00 0.00 C ATOM 364 NZ LYS A 26 -0.764 18.691 3.554 1.00 0.00 N ATOM 0 HA LYS A 26 -2.151 17.843 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.258 18.753 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.282 17.306 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.225 18.831 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.327 20.186 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.998 19.586 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.510 17.914 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.088 18.866 1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.751 20.342 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.168 18.930 3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.509 19.087 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.866 17.657 3.510 1.00 0.00 H new ATOM 378 N PRO A 27 -3.771 16.425 -3.641 1.00 0.00 N ATOM 379 CA PRO A 27 -4.672 15.470 -4.292 1.00 0.00 C ATOM 380 C PRO A 27 -5.196 14.415 -3.325 1.00 0.00 C ATOM 381 O PRO A 27 -4.837 14.405 -2.147 1.00 0.00 O ATOM 382 CB PRO A 27 -3.790 14.823 -5.363 1.00 0.00 C ATOM 383 CG PRO A 27 -2.400 14.968 -4.847 1.00 0.00 C ATOM 384 CD PRO A 27 -2.375 16.262 -4.082 1.00 0.00 C ATOM 0 HA PRO A 27 -5.562 15.957 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.050 13.775 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.909 15.319 -6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.133 14.129 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.680 14.984 -5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.689 16.215 -3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.052 17.093 -4.709 1.00 0.00 H new ATOM 392 N ASP A 28 -6.047 13.527 -3.828 1.00 0.00 N ATOM 393 CA ASP A 28 -6.620 12.466 -3.008 1.00 0.00 C ATOM 394 C ASP A 28 -6.016 11.113 -3.372 1.00 0.00 C ATOM 395 O ASP A 28 -6.480 10.423 -4.280 1.00 0.00 O ATOM 396 CB ASP A 28 -8.139 12.423 -3.179 1.00 0.00 C ATOM 397 CG ASP A 28 -8.778 13.790 -3.025 1.00 0.00 C ATOM 398 OD1 ASP A 28 -8.055 14.746 -2.673 1.00 0.00 O ATOM 399 OD2 ASP A 28 -9.999 13.903 -3.258 1.00 0.00 O ATOM 0 H ASP A 28 -6.355 13.521 -4.800 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.386 12.680 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.380 12.021 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.565 11.741 -2.443 1.00 0.00 H new ATOM 404 N PRO A 29 -4.957 10.723 -2.647 1.00 0.00 N ATOM 405 CA PRO A 29 -4.267 9.450 -2.875 1.00 0.00 C ATOM 406 C PRO A 29 -5.113 8.250 -2.464 1.00 0.00 C ATOM 407 O PRO A 29 -5.911 8.333 -1.530 1.00 0.00 O ATOM 408 CB PRO A 29 -3.024 9.557 -1.989 1.00 0.00 C ATOM 409 CG PRO A 29 -3.406 10.514 -0.913 1.00 0.00 C ATOM 410 CD PRO A 29 -4.352 11.495 -1.549 1.00 0.00 C ATOM 0 HA PRO A 29 -4.043 9.291 -3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.748 8.587 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.165 9.919 -2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.882 9.996 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.529 11.021 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -5.104 11.844 -0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.828 12.377 -1.919 1.00 0.00 H new ATOM 418 N ILE A 30 -4.933 7.137 -3.166 1.00 0.00 N ATOM 419 CA ILE A 30 -5.680 5.920 -2.872 1.00 0.00 C ATOM 420 C ILE A 30 -4.904 4.681 -3.306 1.00 0.00 C ATOM 421 O ILE A 30 -4.401 4.611 -4.428 1.00 0.00 O ATOM 422 CB ILE A 30 -7.054 5.920 -3.567 1.00 0.00 C ATOM 423 CG1 ILE A 30 -7.697 4.535 -3.476 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.913 6.350 -5.020 1.00 0.00 C ATOM 425 CD1 ILE A 30 -9.209 4.567 -3.512 1.00 0.00 C ATOM 0 H ILE A 30 -4.277 7.052 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.828 5.894 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.701 6.634 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.335 3.920 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.374 4.053 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.893 6.345 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.494 7.355 -5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.252 5.658 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.596 3.550 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.581 5.154 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.541 5.019 -4.446 1.00 0.00 H new ATOM 437 N VAL A 31 -4.812 3.703 -2.410 1.00 0.00 N ATOM 438 CA VAL A 31 -4.100 2.464 -2.701 1.00 0.00 C ATOM 439 C VAL A 31 -4.961 1.517 -3.529 1.00 0.00 C ATOM 440 O VAL A 31 -6.153 1.357 -3.268 1.00 0.00 O ATOM 441 CB VAL A 31 -3.667 1.749 -1.407 1.00 0.00 C ATOM 442 CG1 VAL A 31 -3.000 0.421 -1.729 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.740 2.637 -0.592 1.00 0.00 C ATOM 0 H VAL A 31 -5.222 3.745 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.212 2.735 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.556 1.547 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.701 -0.070 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.701 -0.217 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.120 0.596 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.444 2.116 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.853 2.873 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.258 3.560 -0.330 1.00 0.00 H new ATOM 453 N SER A 32 -4.348 0.890 -4.528 1.00 0.00 N ATOM 454 CA SER A 32 -5.059 -0.040 -5.397 1.00 0.00 C ATOM 455 C SER A 32 -4.253 -1.319 -5.600 1.00 0.00 C ATOM 456 O SER A 32 -3.301 -1.349 -6.380 1.00 0.00 O ATOM 457 CB SER A 32 -5.350 0.613 -6.750 1.00 0.00 C ATOM 458 OG SER A 32 -6.130 1.786 -6.592 1.00 0.00 O ATOM 0 H SER A 32 -3.361 1.009 -4.755 1.00 0.00 H new ATOM 0 HA SER A 32 -6.002 -0.298 -4.916 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.412 0.860 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.875 -0.093 -7.393 1.00 0.00 H new ATOM 0 HG SER A 32 -6.301 2.186 -7.470 1.00 0.00 H new ATOM 464 N VAL A 33 -4.641 -2.375 -4.892 1.00 0.00 N ATOM 465 CA VAL A 33 -3.956 -3.658 -4.994 1.00 0.00 C ATOM 466 C VAL A 33 -4.623 -4.557 -6.029 1.00 0.00 C ATOM 467 O VAL A 33 -5.838 -4.502 -6.222 1.00 0.00 O ATOM 468 CB VAL A 33 -3.926 -4.388 -3.638 1.00 0.00 C ATOM 469 CG1 VAL A 33 -3.155 -5.694 -3.751 1.00 0.00 C ATOM 470 CG2 VAL A 33 -3.323 -3.494 -2.565 1.00 0.00 C ATOM 0 H VAL A 33 -5.426 -2.367 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.933 -3.447 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.950 -4.623 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.145 -6.195 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.635 -6.338 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.131 -5.486 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.310 -4.026 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.304 -3.226 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.922 -2.589 -2.466 1.00 0.00 H new ATOM 480 N ILE A 34 -3.822 -5.384 -6.691 1.00 0.00 N ATOM 481 CA ILE A 34 -4.335 -6.296 -7.705 1.00 0.00 C ATOM 482 C ILE A 34 -3.698 -7.675 -7.577 1.00 0.00 C ATOM 483 O ILE A 34 -2.474 -7.810 -7.597 1.00 0.00 O ATOM 484 CB ILE A 34 -4.085 -5.757 -9.126 1.00 0.00 C ATOM 485 CG1 ILE A 34 -4.792 -4.413 -9.317 1.00 0.00 C ATOM 486 CG2 ILE A 34 -4.558 -6.763 -10.165 1.00 0.00 C ATOM 487 CD1 ILE A 34 -3.985 -3.231 -8.826 1.00 0.00 C ATOM 0 H ILE A 34 -2.814 -5.441 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.409 -6.378 -7.541 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.014 -5.605 -9.258 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.015 -4.276 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.746 -4.435 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.375 -6.368 -11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.014 -7.699 -10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.625 -6.944 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.547 -2.312 -8.993 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.784 -3.345 -7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.042 -3.183 -9.370 1.00 0.00 H new ATOM 499 N PHE A 35 -4.536 -8.699 -7.448 1.00 0.00 N ATOM 500 CA PHE A 35 -4.055 -10.069 -7.318 1.00 0.00 C ATOM 501 C PHE A 35 -5.141 -11.066 -7.710 1.00 0.00 C ATOM 502 O PHE A 35 -6.300 -10.925 -7.320 1.00 0.00 O ATOM 503 CB PHE A 35 -3.595 -10.337 -5.883 1.00 0.00 C ATOM 504 CG PHE A 35 -2.910 -11.662 -5.711 1.00 0.00 C ATOM 505 CD1 PHE A 35 -1.559 -11.800 -5.989 1.00 0.00 C ATOM 506 CD2 PHE A 35 -3.615 -12.770 -5.270 1.00 0.00 C ATOM 507 CE1 PHE A 35 -0.926 -13.019 -5.832 1.00 0.00 C ATOM 508 CE2 PHE A 35 -2.988 -13.991 -5.111 1.00 0.00 C ATOM 509 CZ PHE A 35 -1.641 -14.115 -5.391 1.00 0.00 C ATOM 0 H PHE A 35 -5.552 -8.605 -7.431 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.209 -10.196 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.916 -9.543 -5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.459 -10.295 -5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.995 -10.946 -6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.668 -12.678 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.127 -13.114 -6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.550 -14.847 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.148 -15.068 -5.265 1.00 0.00 H new ATOM 519 N LYS A 36 -4.757 -12.075 -8.485 1.00 0.00 N ATOM 520 CA LYS A 36 -5.696 -13.098 -8.931 1.00 0.00 C ATOM 521 C LYS A 36 -6.931 -12.464 -9.564 1.00 0.00 C ATOM 522 O LYS A 36 -8.062 -12.822 -9.235 1.00 0.00 O ATOM 523 CB LYS A 36 -6.111 -13.986 -7.756 1.00 0.00 C ATOM 524 CG LYS A 36 -4.977 -14.829 -7.200 1.00 0.00 C ATOM 525 CD LYS A 36 -4.891 -16.177 -7.896 1.00 0.00 C ATOM 526 CE LYS A 36 -3.596 -16.898 -7.557 1.00 0.00 C ATOM 527 NZ LYS A 36 -3.229 -17.899 -8.596 1.00 0.00 N ATOM 0 H LYS A 36 -3.802 -12.206 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.198 -13.710 -9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.509 -13.357 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.918 -14.644 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.034 -14.296 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.125 -14.979 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.740 -16.794 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.958 -16.036 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.791 -16.170 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.700 -17.397 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.430 -18.473 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.044 -18.517 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.957 -17.407 -9.471 1.00 0.00 H new ATOM 541 N ASP A 37 -6.706 -11.523 -10.474 1.00 0.00 N ATOM 542 CA ASP A 37 -7.801 -10.841 -11.155 1.00 0.00 C ATOM 543 C ASP A 37 -8.761 -10.215 -10.149 1.00 0.00 C ATOM 544 O ASP A 37 -9.975 -10.218 -10.351 1.00 0.00 O ATOM 545 CB ASP A 37 -8.555 -11.818 -12.059 1.00 0.00 C ATOM 546 CG ASP A 37 -7.890 -11.988 -13.411 1.00 0.00 C ATOM 547 OD1 ASP A 37 -6.677 -11.708 -13.514 1.00 0.00 O ATOM 548 OD2 ASP A 37 -8.582 -12.399 -14.366 1.00 0.00 O ATOM 0 H ASP A 37 -5.776 -11.215 -10.757 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.376 -10.046 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.621 -12.788 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.576 -11.463 -12.202 1.00 0.00 H new ATOM 553 N GLU A 38 -8.209 -9.681 -9.064 1.00 0.00 N ATOM 554 CA GLU A 38 -9.017 -9.053 -8.026 1.00 0.00 C ATOM 555 C GLU A 38 -8.481 -7.667 -7.682 1.00 0.00 C ATOM 556 O GLU A 38 -7.504 -7.532 -6.943 1.00 0.00 O ATOM 557 CB GLU A 38 -9.044 -9.928 -6.771 1.00 0.00 C ATOM 558 CG GLU A 38 -10.249 -9.677 -5.879 1.00 0.00 C ATOM 559 CD GLU A 38 -11.477 -10.444 -6.329 1.00 0.00 C ATOM 560 OE1 GLU A 38 -11.541 -11.665 -6.075 1.00 0.00 O ATOM 561 OE2 GLU A 38 -12.375 -9.822 -6.936 1.00 0.00 O ATOM 0 H GLU A 38 -7.206 -9.671 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.032 -8.946 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.035 -10.976 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.134 -9.753 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.004 -9.959 -4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.474 -8.611 -5.870 1.00 0.00 H new ATOM 568 N LYS A 39 -9.125 -6.638 -8.222 1.00 0.00 N ATOM 569 CA LYS A 39 -8.715 -5.262 -7.973 1.00 0.00 C ATOM 570 C LYS A 39 -9.370 -4.719 -6.707 1.00 0.00 C ATOM 571 O LYS A 39 -10.570 -4.441 -6.687 1.00 0.00 O ATOM 572 CB LYS A 39 -9.077 -4.376 -9.168 1.00 0.00 C ATOM 573 CG LYS A 39 -8.346 -3.045 -9.182 1.00 0.00 C ATOM 574 CD LYS A 39 -8.428 -2.378 -10.545 1.00 0.00 C ATOM 575 CE LYS A 39 -7.379 -2.927 -11.499 1.00 0.00 C ATOM 576 NZ LYS A 39 -7.562 -2.409 -12.883 1.00 0.00 N ATOM 0 H LYS A 39 -9.934 -6.732 -8.836 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.634 -5.251 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.853 -4.914 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.151 -4.191 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.774 -2.386 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.301 -3.200 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.421 -2.532 -10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.292 -1.302 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.386 -2.659 -11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.431 -4.016 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.827 -2.807 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.500 -2.686 -13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.487 -1.372 -12.878 1.00 0.00 H new ATOM 590 N LYS A 40 -8.576 -4.569 -5.653 1.00 0.00 N ATOM 591 CA LYS A 40 -9.077 -4.056 -4.383 1.00 0.00 C ATOM 592 C LYS A 40 -8.285 -2.831 -3.940 1.00 0.00 C ATOM 593 O LYS A 40 -7.061 -2.881 -3.816 1.00 0.00 O ATOM 594 CB LYS A 40 -9.002 -5.142 -3.307 1.00 0.00 C ATOM 595 CG LYS A 40 -9.790 -6.394 -3.650 1.00 0.00 C ATOM 596 CD LYS A 40 -10.093 -7.220 -2.411 1.00 0.00 C ATOM 597 CE LYS A 40 -10.536 -8.628 -2.774 1.00 0.00 C ATOM 598 NZ LYS A 40 -11.467 -9.196 -1.759 1.00 0.00 N ATOM 0 H LYS A 40 -7.581 -4.796 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.117 -3.762 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.958 -5.412 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.373 -4.736 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.723 -6.115 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.225 -6.997 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.206 -7.268 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.874 -6.731 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.025 -8.615 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.661 -9.272 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.039 -9.947 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.919 -9.592 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.094 -8.446 -1.404 1.00 0.00 H new ATOM 612 N LYS A 41 -8.991 -1.730 -3.701 1.00 0.00 N ATOM 613 CA LYS A 41 -8.355 -0.491 -3.269 1.00 0.00 C ATOM 614 C LYS A 41 -8.883 -0.056 -1.906 1.00 0.00 C ATOM 615 O LYS A 41 -9.933 -0.517 -1.458 1.00 0.00 O ATOM 616 CB LYS A 41 -8.595 0.615 -4.299 1.00 0.00 C ATOM 617 CG LYS A 41 -10.045 0.736 -4.735 1.00 0.00 C ATOM 618 CD LYS A 41 -10.180 1.575 -5.994 1.00 0.00 C ATOM 619 CE LYS A 41 -11.623 1.639 -6.470 1.00 0.00 C ATOM 620 NZ LYS A 41 -12.020 0.405 -7.203 1.00 0.00 N ATOM 0 H LYS A 41 -10.005 -1.671 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.284 -0.672 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.270 1.567 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.976 0.424 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.457 -0.258 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.631 1.185 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.815 2.584 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.554 1.154 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.282 1.781 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.753 2.505 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.010 0.487 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.408 0.283 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.920 -0.419 -6.576 1.00 0.00 H new ATOM 634 N THR A 42 -8.149 0.838 -1.250 1.00 0.00 N ATOM 635 CA THR A 42 -8.543 1.336 0.062 1.00 0.00 C ATOM 636 C THR A 42 -9.406 2.587 -0.062 1.00 0.00 C ATOM 637 O THR A 42 -9.488 3.194 -1.130 1.00 0.00 O ATOM 638 CB THR A 42 -7.315 1.657 0.933 1.00 0.00 C ATOM 639 OG1 THR A 42 -6.465 2.591 0.258 1.00 0.00 O ATOM 640 CG2 THR A 42 -6.532 0.392 1.253 1.00 0.00 C ATOM 0 H THR A 42 -7.278 1.232 -1.606 1.00 0.00 H new ATOM 0 HA THR A 42 -9.121 0.545 0.540 1.00 0.00 H new ATOM 0 HB THR A 42 -7.666 2.095 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.373 3.401 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.669 0.644 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.172 -0.305 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.193 -0.070 0.326 1.00 0.00 H new ATOM 648 N LYS A 43 -10.046 2.969 1.037 1.00 0.00 N ATOM 649 CA LYS A 43 -10.902 4.150 1.054 1.00 0.00 C ATOM 650 C LYS A 43 -10.091 5.413 0.780 1.00 0.00 C ATOM 651 O LYS A 43 -9.201 5.772 1.551 1.00 0.00 O ATOM 652 CB LYS A 43 -11.613 4.271 2.403 1.00 0.00 C ATOM 653 CG LYS A 43 -10.679 4.590 3.557 1.00 0.00 C ATOM 654 CD LYS A 43 -11.363 4.392 4.899 1.00 0.00 C ATOM 655 CE LYS A 43 -10.351 4.276 6.029 1.00 0.00 C ATOM 656 NZ LYS A 43 -9.989 5.608 6.588 1.00 0.00 N ATOM 0 H LYS A 43 -9.988 2.478 1.929 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.647 4.039 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.372 5.050 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.133 3.337 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.797 3.952 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.333 5.620 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.033 5.229 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.978 3.493 4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.761 3.649 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.453 3.780 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.298 5.486 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.574 6.198 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.842 6.071 6.961 1.00 0.00 H new ATOM 670 N LYS A 44 -10.405 6.084 -0.323 1.00 0.00 N ATOM 671 CA LYS A 44 -9.708 7.309 -0.699 1.00 0.00 C ATOM 672 C LYS A 44 -9.638 8.277 0.478 1.00 0.00 C ATOM 673 O LYS A 44 -10.534 8.310 1.322 1.00 0.00 O ATOM 674 CB LYS A 44 -10.411 7.977 -1.882 1.00 0.00 C ATOM 675 CG LYS A 44 -11.620 8.806 -1.483 1.00 0.00 C ATOM 676 CD LYS A 44 -12.194 9.563 -2.669 1.00 0.00 C ATOM 677 CE LYS A 44 -13.256 10.560 -2.232 1.00 0.00 C ATOM 678 NZ LYS A 44 -13.669 11.455 -3.349 1.00 0.00 N ATOM 0 H LYS A 44 -11.138 5.800 -0.973 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.691 7.045 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.699 8.617 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.725 7.208 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.385 8.155 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.336 9.512 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.393 10.088 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.626 8.857 -3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.127 10.022 -1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.873 11.161 -1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.683 11.672 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.121 12.338 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.492 10.981 -4.257 1.00 0.00 H new ATOM 692 N VAL A 45 -8.569 9.065 0.527 1.00 0.00 N ATOM 693 CA VAL A 45 -8.383 10.036 1.599 1.00 0.00 C ATOM 694 C VAL A 45 -8.456 11.463 1.066 1.00 0.00 C ATOM 695 O VAL A 45 -7.844 11.788 0.049 1.00 0.00 O ATOM 696 CB VAL A 45 -7.033 9.834 2.311 1.00 0.00 C ATOM 697 CG1 VAL A 45 -6.800 10.934 3.336 1.00 0.00 C ATOM 698 CG2 VAL A 45 -6.977 8.463 2.967 1.00 0.00 C ATOM 0 H VAL A 45 -7.818 9.050 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.190 9.877 2.314 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.238 9.889 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.841 10.775 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.794 11.902 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.598 10.914 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.016 8.337 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.780 8.377 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.095 7.691 2.207 1.00 0.00 H new ATOM 708 N ASP A 46 -9.208 12.310 1.761 1.00 0.00 N ATOM 709 CA ASP A 46 -9.360 13.703 1.359 1.00 0.00 C ATOM 710 C ASP A 46 -8.001 14.344 1.094 1.00 0.00 C ATOM 711 O ASP A 46 -6.966 13.819 1.502 1.00 0.00 O ATOM 712 CB ASP A 46 -10.106 14.489 2.438 1.00 0.00 C ATOM 713 CG ASP A 46 -11.607 14.285 2.369 1.00 0.00 C ATOM 714 OD1 ASP A 46 -12.270 15.014 1.601 1.00 0.00 O ATOM 715 OD2 ASP A 46 -12.118 13.397 3.082 1.00 0.00 O ATOM 0 H ASP A 46 -9.721 12.056 2.605 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.939 13.728 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.746 14.184 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.881 15.550 2.331 1.00 0.00 H new ATOM 720 N ASN A 47 -8.013 15.481 0.406 1.00 0.00 N ATOM 721 CA ASN A 47 -6.781 16.193 0.085 1.00 0.00 C ATOM 722 C ASN A 47 -5.767 16.063 1.217 1.00 0.00 C ATOM 723 O ASN A 47 -5.888 16.720 2.251 1.00 0.00 O ATOM 724 CB ASN A 47 -7.076 17.670 -0.183 1.00 0.00 C ATOM 725 CG ASN A 47 -8.003 18.272 0.854 1.00 0.00 C ATOM 726 OD1 ASN A 47 -7.555 18.896 1.817 1.00 0.00 O ATOM 727 ND2 ASN A 47 -9.304 18.088 0.663 1.00 0.00 N ATOM 0 H ASN A 47 -8.862 15.929 0.060 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.356 15.745 -0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.140 18.228 -0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.524 17.775 -1.171 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.976 18.470 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.631 17.564 -0.149 1.00 0.00 H new ATOM 734 N GLU A 48 -4.766 15.211 1.014 1.00 0.00 N ATOM 735 CA GLU A 48 -3.731 14.995 2.018 1.00 0.00 C ATOM 736 C GLU A 48 -2.523 14.289 1.411 1.00 0.00 C ATOM 737 O GLU A 48 -2.667 13.339 0.639 1.00 0.00 O ATOM 738 CB GLU A 48 -4.284 14.173 3.184 1.00 0.00 C ATOM 739 CG GLU A 48 -3.212 13.662 4.131 1.00 0.00 C ATOM 740 CD GLU A 48 -2.445 14.784 4.804 1.00 0.00 C ATOM 741 OE1 GLU A 48 -3.075 15.581 5.531 1.00 0.00 O ATOM 742 OE2 GLU A 48 -1.215 14.865 4.604 1.00 0.00 O ATOM 0 H GLU A 48 -4.650 14.660 0.164 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.412 15.969 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.991 14.784 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.841 13.324 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.675 13.035 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.516 13.031 3.579 1.00 0.00 H new ATOM 749 N LEU A 49 -1.331 14.759 1.763 1.00 0.00 N ATOM 750 CA LEU A 49 -0.097 14.173 1.253 1.00 0.00 C ATOM 751 C LEU A 49 0.181 12.826 1.914 1.00 0.00 C ATOM 752 O LEU A 49 0.491 11.846 1.239 1.00 0.00 O ATOM 753 CB LEU A 49 1.078 15.123 1.492 1.00 0.00 C ATOM 754 CG LEU A 49 1.380 16.114 0.368 1.00 0.00 C ATOM 755 CD1 LEU A 49 0.089 16.637 -0.243 1.00 0.00 C ATOM 756 CD2 LEU A 49 2.233 17.264 0.884 1.00 0.00 C ATOM 0 H LEU A 49 -1.193 15.544 2.399 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.216 14.013 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.883 15.687 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.972 14.525 1.672 1.00 0.00 H new ATOM 0 HG LEU A 49 1.941 15.593 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.323 17.341 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.484 15.804 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.499 17.141 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.438 17.959 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.700 17.784 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.173 16.874 1.273 1.00 0.00 H new ATOM 768 N ASN A 50 0.065 12.787 3.237 1.00 0.00 N ATOM 769 CA ASN A 50 0.301 11.560 3.989 1.00 0.00 C ATOM 770 C ASN A 50 -1.011 10.974 4.501 1.00 0.00 C ATOM 771 O ASN A 50 -1.413 11.191 5.644 1.00 0.00 O ATOM 772 CB ASN A 50 1.244 11.831 5.163 1.00 0.00 C ATOM 773 CG ASN A 50 2.475 12.613 4.748 1.00 0.00 C ATOM 774 OD1 ASN A 50 2.824 12.663 3.569 1.00 0.00 O ATOM 775 ND2 ASN A 50 3.139 13.230 5.719 1.00 0.00 N ATOM 0 H ASN A 50 -0.191 13.591 3.811 1.00 0.00 H new ATOM 0 HA ASN A 50 0.764 10.836 3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.709 12.384 5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.551 10.883 5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.975 13.773 5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.813 13.161 6.683 1.00 0.00 H new ATOM 782 N PRO A 51 -1.695 10.211 3.635 1.00 0.00 N ATOM 783 CA PRO A 51 -2.972 9.577 3.977 1.00 0.00 C ATOM 784 C PRO A 51 -2.806 8.449 4.990 1.00 0.00 C ATOM 785 O PRO A 51 -1.708 7.925 5.176 1.00 0.00 O ATOM 786 CB PRO A 51 -3.463 9.024 2.637 1.00 0.00 C ATOM 787 CG PRO A 51 -2.225 8.823 1.834 1.00 0.00 C ATOM 788 CD PRO A 51 -1.276 9.910 2.256 1.00 0.00 C ATOM 0 HA PRO A 51 -3.664 10.279 4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.005 8.088 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.144 9.720 2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.796 7.838 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.438 8.884 0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.239 9.577 2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.355 10.785 1.612 1.00 0.00 H new ATOM 796 N VAL A 52 -3.903 8.081 5.644 1.00 0.00 N ATOM 797 CA VAL A 52 -3.879 7.014 6.638 1.00 0.00 C ATOM 798 C VAL A 52 -5.062 6.069 6.458 1.00 0.00 C ATOM 799 O VAL A 52 -6.198 6.411 6.786 1.00 0.00 O ATOM 800 CB VAL A 52 -3.901 7.580 8.070 1.00 0.00 C ATOM 801 CG1 VAL A 52 -3.932 6.452 9.090 1.00 0.00 C ATOM 802 CG2 VAL A 52 -2.702 8.488 8.302 1.00 0.00 C ATOM 0 H VAL A 52 -4.820 8.506 5.504 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.951 6.462 6.488 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.807 8.174 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.947 6.871 10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.825 5.846 8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.046 5.829 8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.733 8.879 9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.783 7.920 8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.730 9.316 7.594 1.00 0.00 H new ATOM 812 N TRP A 53 -4.787 4.879 5.936 1.00 0.00 N ATOM 813 CA TRP A 53 -5.830 3.884 5.713 1.00 0.00 C ATOM 814 C TRP A 53 -5.859 2.864 6.846 1.00 0.00 C ATOM 815 O TRP A 53 -6.928 2.473 7.313 1.00 0.00 O ATOM 816 CB TRP A 53 -5.608 3.174 4.377 1.00 0.00 C ATOM 817 CG TRP A 53 -5.541 4.112 3.209 1.00 0.00 C ATOM 818 CD1 TRP A 53 -6.596 4.661 2.538 1.00 0.00 C ATOM 819 CD2 TRP A 53 -4.358 4.608 2.576 1.00 0.00 C ATOM 820 NE1 TRP A 53 -6.140 5.469 1.525 1.00 0.00 N ATOM 821 CE2 TRP A 53 -4.770 5.454 1.528 1.00 0.00 C ATOM 822 CE3 TRP A 53 -2.990 4.423 2.792 1.00 0.00 C ATOM 823 CZ2 TRP A 53 -3.863 6.110 0.700 1.00 0.00 C ATOM 824 CZ3 TRP A 53 -2.090 5.074 1.970 1.00 0.00 C ATOM 825 CH2 TRP A 53 -2.529 5.910 0.935 1.00 0.00 C ATOM 0 H TRP A 53 -3.852 4.580 5.660 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.790 4.399 5.688 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.682 2.602 4.428 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.416 2.460 4.215 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.636 4.486 2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.726 5.995 0.876 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.642 3.782 3.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.200 6.754 -0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.031 4.936 2.128 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.801 6.406 0.310 1.00 0.00 H new ATOM 836 N ASN A 54 -4.679 2.437 7.283 1.00 0.00 N ATOM 837 CA ASN A 54 -4.571 1.461 8.362 1.00 0.00 C ATOM 838 C ASN A 54 -5.672 0.410 8.257 1.00 0.00 C ATOM 839 O ASN A 54 -6.277 0.030 9.259 1.00 0.00 O ATOM 840 CB ASN A 54 -4.646 2.162 9.720 1.00 0.00 C ATOM 841 CG ASN A 54 -3.378 2.925 10.048 1.00 0.00 C ATOM 842 OD1 ASN A 54 -2.289 2.564 9.601 1.00 0.00 O ATOM 843 ND2 ASN A 54 -3.513 3.987 10.834 1.00 0.00 N ATOM 0 H ASN A 54 -3.784 2.751 6.907 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.607 0.961 8.272 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.492 2.850 9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.833 1.422 10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.695 4.540 11.090 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.435 4.250 11.182 1.00 0.00 H new ATOM 850 N GLU A 55 -5.924 -0.055 7.038 1.00 0.00 N ATOM 851 CA GLU A 55 -6.952 -1.062 6.803 1.00 0.00 C ATOM 852 C GLU A 55 -6.325 -2.419 6.496 1.00 0.00 C ATOM 853 O GLU A 55 -5.103 -2.541 6.398 1.00 0.00 O ATOM 854 CB GLU A 55 -7.861 -0.635 5.648 1.00 0.00 C ATOM 855 CG GLU A 55 -7.349 -1.059 4.282 1.00 0.00 C ATOM 856 CD GLU A 55 -8.352 -0.794 3.175 1.00 0.00 C ATOM 857 OE1 GLU A 55 -8.684 0.388 2.947 1.00 0.00 O ATOM 858 OE2 GLU A 55 -8.805 -1.768 2.539 1.00 0.00 O ATOM 0 H GLU A 55 -5.431 0.249 6.198 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.548 -1.154 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.853 -1.058 5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.971 0.449 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.423 -0.526 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.108 -2.122 4.302 1.00 0.00 H new ATOM 865 N ILE A 56 -7.169 -3.434 6.345 1.00 0.00 N ATOM 866 CA ILE A 56 -6.697 -4.781 6.049 1.00 0.00 C ATOM 867 C ILE A 56 -7.425 -5.365 4.843 1.00 0.00 C ATOM 868 O ILE A 56 -8.651 -5.298 4.751 1.00 0.00 O ATOM 869 CB ILE A 56 -6.887 -5.721 7.254 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.342 -5.071 8.527 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.201 -7.055 6.998 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.700 -5.823 9.790 1.00 0.00 C ATOM 0 H ILE A 56 -8.183 -3.349 6.423 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.633 -4.701 5.825 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.953 -5.903 7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.257 -4.998 8.452 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.726 -4.053 8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.344 -7.709 7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.632 -7.522 6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.135 -6.892 6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.281 -5.305 10.653 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.784 -5.873 9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.293 -6.833 9.740 1.00 0.00 H new ATOM 884 N LEU A 57 -6.661 -5.939 3.919 1.00 0.00 N ATOM 885 CA LEU A 57 -7.233 -6.537 2.718 1.00 0.00 C ATOM 886 C LEU A 57 -7.074 -8.054 2.737 1.00 0.00 C ATOM 887 O LEU A 57 -6.183 -8.586 3.399 1.00 0.00 O ATOM 888 CB LEU A 57 -6.566 -5.958 1.469 1.00 0.00 C ATOM 889 CG LEU A 57 -6.480 -4.433 1.399 1.00 0.00 C ATOM 890 CD1 LEU A 57 -5.297 -4.003 0.546 1.00 0.00 C ATOM 891 CD2 LEU A 57 -7.775 -3.851 0.851 1.00 0.00 C ATOM 0 H LEU A 57 -5.645 -6.003 3.979 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.297 -6.302 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.556 -6.362 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.111 -6.312 0.594 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.331 -4.050 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.252 -2.915 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.375 -4.389 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.414 -4.397 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.696 -2.765 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.954 -4.242 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.603 -4.129 1.503 1.00 0.00 H new ATOM 903 N GLU A 58 -7.942 -8.744 2.004 1.00 0.00 N ATOM 904 CA GLU A 58 -7.896 -10.200 1.936 1.00 0.00 C ATOM 905 C GLU A 58 -8.173 -10.688 0.517 1.00 0.00 C ATOM 906 O GLU A 58 -8.969 -10.094 -0.211 1.00 0.00 O ATOM 907 CB GLU A 58 -8.912 -10.810 2.904 1.00 0.00 C ATOM 908 CG GLU A 58 -8.873 -10.197 4.294 1.00 0.00 C ATOM 909 CD GLU A 58 -10.090 -10.556 5.124 1.00 0.00 C ATOM 910 OE1 GLU A 58 -10.255 -11.750 5.450 1.00 0.00 O ATOM 911 OE2 GLU A 58 -10.878 -9.642 5.448 1.00 0.00 O ATOM 0 H GLU A 58 -8.685 -8.319 1.449 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.894 -10.520 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.913 -10.689 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.728 -11.881 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.974 -10.533 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.804 -9.113 4.207 1.00 0.00 H new ATOM 918 N PHE A 59 -7.509 -11.772 0.130 1.00 0.00 N ATOM 919 CA PHE A 59 -7.682 -12.340 -1.202 1.00 0.00 C ATOM 920 C PHE A 59 -7.982 -13.834 -1.122 1.00 0.00 C ATOM 921 O PHE A 59 -7.526 -14.522 -0.209 1.00 0.00 O ATOM 922 CB PHE A 59 -6.427 -12.104 -2.046 1.00 0.00 C ATOM 923 CG PHE A 59 -6.240 -10.671 -2.455 1.00 0.00 C ATOM 924 CD1 PHE A 59 -5.634 -9.766 -1.599 1.00 0.00 C ATOM 925 CD2 PHE A 59 -6.671 -10.229 -3.695 1.00 0.00 C ATOM 926 CE1 PHE A 59 -5.459 -8.447 -1.972 1.00 0.00 C ATOM 927 CE2 PHE A 59 -6.499 -8.911 -4.074 1.00 0.00 C ATOM 928 CZ PHE A 59 -5.894 -8.019 -3.211 1.00 0.00 C ATOM 0 H PHE A 59 -6.846 -12.275 0.720 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.529 -11.843 -1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.553 -12.429 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.478 -12.725 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.294 -10.095 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.147 -10.922 -4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.983 -7.752 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.838 -8.579 -5.044 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.761 -6.988 -3.504 1.00 0.00 H new ATOM 938 N ASP A 60 -8.753 -14.328 -2.085 1.00 0.00 N ATOM 939 CA ASP A 60 -9.114 -15.740 -2.125 1.00 0.00 C ATOM 940 C ASP A 60 -8.086 -16.542 -2.917 1.00 0.00 C ATOM 941 O ASP A 60 -7.860 -16.285 -4.100 1.00 0.00 O ATOM 942 CB ASP A 60 -10.502 -15.916 -2.743 1.00 0.00 C ATOM 943 CG ASP A 60 -10.454 -16.017 -4.255 1.00 0.00 C ATOM 944 OD1 ASP A 60 -10.505 -14.962 -4.921 1.00 0.00 O ATOM 945 OD2 ASP A 60 -10.367 -17.150 -4.772 1.00 0.00 O ATOM 0 H ASP A 60 -9.140 -13.772 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.130 -16.114 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.966 -16.814 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.133 -15.074 -2.458 1.00 0.00 H new ATOM 950 N LEU A 61 -7.466 -17.514 -2.257 1.00 0.00 N ATOM 951 CA LEU A 61 -6.460 -18.354 -2.898 1.00 0.00 C ATOM 952 C LEU A 61 -7.092 -19.619 -3.470 1.00 0.00 C ATOM 953 O LEU A 61 -6.602 -20.180 -4.451 1.00 0.00 O ATOM 954 CB LEU A 61 -5.364 -18.725 -1.898 1.00 0.00 C ATOM 955 CG LEU A 61 -4.343 -17.631 -1.585 1.00 0.00 C ATOM 956 CD1 LEU A 61 -3.105 -18.226 -0.932 1.00 0.00 C ATOM 957 CD2 LEU A 61 -3.967 -16.874 -2.851 1.00 0.00 C ATOM 0 H LEU A 61 -7.642 -17.740 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.018 -17.788 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.839 -19.029 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.829 -19.594 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.796 -16.929 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.390 -17.432 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.386 -18.722 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.650 -18.951 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.239 -16.099 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.534 -17.566 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.858 -16.414 -3.278 1.00 0.00 H new ATOM 969 N ARG A 62 -8.183 -20.061 -2.853 1.00 0.00 N ATOM 970 CA ARG A 62 -8.882 -21.259 -3.302 1.00 0.00 C ATOM 971 C ARG A 62 -7.939 -22.457 -3.338 1.00 0.00 C ATOM 972 O ARG A 62 -7.958 -23.248 -4.281 1.00 0.00 O ATOM 973 CB ARG A 62 -9.489 -21.032 -4.687 1.00 0.00 C ATOM 974 CG ARG A 62 -10.535 -19.930 -4.721 1.00 0.00 C ATOM 975 CD ARG A 62 -11.928 -20.475 -4.449 1.00 0.00 C ATOM 976 NE ARG A 62 -12.877 -19.415 -4.121 1.00 0.00 N ATOM 977 CZ ARG A 62 -13.486 -18.665 -5.033 1.00 0.00 C ATOM 978 NH1 ARG A 62 -13.246 -18.859 -6.323 1.00 0.00 N ATOM 979 NH2 ARG A 62 -14.337 -17.719 -4.656 1.00 0.00 N ATOM 0 H ARG A 62 -8.602 -19.608 -2.041 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.682 -21.470 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.691 -20.786 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.941 -21.961 -5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.289 -19.171 -3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.518 -19.441 -5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.281 -21.019 -5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.884 -21.189 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.084 -19.241 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.593 -19.585 -6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.715 -18.282 -7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.524 -17.567 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.804 -17.144 -5.357 1.00 0.00 H new ATOM 993 N GLY A 63 -7.112 -22.585 -2.304 1.00 0.00 N ATOM 994 CA GLY A 63 -6.172 -23.689 -2.238 1.00 0.00 C ATOM 995 C GLY A 63 -4.938 -23.452 -3.086 1.00 0.00 C ATOM 996 O GLY A 63 -3.940 -24.160 -2.951 1.00 0.00 O ATOM 0 H GLY A 63 -7.076 -21.944 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.872 -23.845 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.666 -24.603 -2.568 1.00 0.00 H new ATOM 1000 N ILE A 64 -5.007 -22.455 -3.962 1.00 0.00 N ATOM 1001 CA ILE A 64 -3.887 -22.128 -4.835 1.00 0.00 C ATOM 1002 C ILE A 64 -2.804 -21.367 -4.078 1.00 0.00 C ATOM 1003 O ILE A 64 -2.989 -20.222 -3.663 1.00 0.00 O ATOM 1004 CB ILE A 64 -4.341 -21.286 -6.042 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -5.423 -22.028 -6.830 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -3.155 -20.960 -6.937 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -4.932 -23.305 -7.474 1.00 0.00 C ATOM 0 H ILE A 64 -5.826 -21.860 -4.086 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.481 -23.074 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.762 -20.350 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.251 -22.263 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.815 -21.368 -7.604 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.492 -20.365 -7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.415 -20.396 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.707 -21.885 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.751 -23.778 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.123 -23.075 -8.168 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.567 -23.984 -6.703 1.00 0.00 H new ATOM 1019 N PRO A 65 -1.644 -22.015 -3.893 1.00 0.00 N ATOM 1020 CA PRO A 65 -0.507 -21.418 -3.187 1.00 0.00 C ATOM 1021 C PRO A 65 0.139 -20.287 -3.980 1.00 0.00 C ATOM 1022 O PRO A 65 -0.348 -19.905 -5.046 1.00 0.00 O ATOM 1023 CB PRO A 65 0.469 -22.587 -3.033 1.00 0.00 C ATOM 1024 CG PRO A 65 0.129 -23.514 -4.149 1.00 0.00 C ATOM 1025 CD PRO A 65 -1.354 -23.381 -4.361 1.00 0.00 C ATOM 0 HA PRO A 65 -0.807 -20.967 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.504 -22.250 -3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.354 -23.074 -2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.677 -23.253 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.397 -24.541 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.624 -23.513 -5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.910 -24.127 -3.793 1.00 0.00 H new ATOM 1033 N LEU A 66 1.236 -19.754 -3.455 1.00 0.00 N ATOM 1034 CA LEU A 66 1.949 -18.665 -4.115 1.00 0.00 C ATOM 1035 C LEU A 66 3.184 -19.186 -4.844 1.00 0.00 C ATOM 1036 O LEU A 66 3.910 -20.036 -4.327 1.00 0.00 O ATOM 1037 CB LEU A 66 2.357 -17.603 -3.093 1.00 0.00 C ATOM 1038 CG LEU A 66 1.239 -16.687 -2.595 1.00 0.00 C ATOM 1039 CD1 LEU A 66 1.782 -15.673 -1.600 1.00 0.00 C ATOM 1040 CD2 LEU A 66 0.566 -15.982 -3.763 1.00 0.00 C ATOM 0 H LEU A 66 1.652 -20.058 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 66 1.279 -18.216 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.798 -18.106 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.138 -16.983 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 66 0.494 -17.300 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.972 -15.030 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.216 -16.196 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.548 -15.065 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.227 -15.334 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.302 -15.382 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.140 -16.723 -4.439 1.00 0.00 H new ATOM 1052 N ASP A 67 3.416 -18.670 -6.046 1.00 0.00 N ATOM 1053 CA ASP A 67 4.565 -19.081 -6.845 1.00 0.00 C ATOM 1054 C ASP A 67 5.576 -17.944 -6.967 1.00 0.00 C ATOM 1055 O ASP A 67 5.246 -16.780 -6.743 1.00 0.00 O ATOM 1056 CB ASP A 67 4.112 -19.529 -8.235 1.00 0.00 C ATOM 1057 CG ASP A 67 3.028 -20.588 -8.177 1.00 0.00 C ATOM 1058 OD1 ASP A 67 3.070 -21.430 -7.257 1.00 0.00 O ATOM 1059 OD2 ASP A 67 2.138 -20.574 -9.053 1.00 0.00 O ATOM 0 H ASP A 67 2.824 -17.967 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 67 5.047 -19.919 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.744 -18.666 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.968 -19.919 -8.785 1.00 0.00 H new ATOM 1064 N PHE A 68 6.808 -18.291 -7.324 1.00 0.00 N ATOM 1065 CA PHE A 68 7.867 -17.301 -7.475 1.00 0.00 C ATOM 1066 C PHE A 68 7.449 -16.199 -8.444 1.00 0.00 C ATOM 1067 O PHE A 68 7.860 -15.047 -8.307 1.00 0.00 O ATOM 1068 CB PHE A 68 9.152 -17.969 -7.969 1.00 0.00 C ATOM 1069 CG PHE A 68 9.954 -18.610 -6.872 1.00 0.00 C ATOM 1070 CD1 PHE A 68 9.408 -19.621 -6.098 1.00 0.00 C ATOM 1071 CD2 PHE A 68 11.253 -18.203 -6.616 1.00 0.00 C ATOM 1072 CE1 PHE A 68 10.143 -20.213 -5.088 1.00 0.00 C ATOM 1073 CE2 PHE A 68 11.993 -18.791 -5.608 1.00 0.00 C ATOM 1074 CZ PHE A 68 11.438 -19.798 -4.843 1.00 0.00 C ATOM 0 H PHE A 68 7.097 -19.250 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 68 8.051 -16.851 -6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.897 -18.725 -8.711 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.769 -17.224 -8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.397 -19.950 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.693 -17.417 -7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.705 -20.999 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.005 -18.463 -5.419 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.015 -20.260 -4.055 1.00 0.00 H new ATOM 1084 N SER A 69 6.629 -16.563 -9.425 1.00 0.00 N ATOM 1085 CA SER A 69 6.157 -15.607 -10.421 1.00 0.00 C ATOM 1086 C SER A 69 5.055 -14.723 -9.846 1.00 0.00 C ATOM 1087 O SER A 69 4.716 -13.685 -10.415 1.00 0.00 O ATOM 1088 CB SER A 69 5.642 -16.342 -11.660 1.00 0.00 C ATOM 1089 OG SER A 69 4.615 -17.257 -11.320 1.00 0.00 O ATOM 0 H SER A 69 6.278 -17.512 -9.552 1.00 0.00 H new ATOM 0 HA SER A 69 6.996 -14.973 -10.706 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.265 -15.620 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.464 -16.874 -12.139 1.00 0.00 H new ATOM 0 HG SER A 69 4.302 -17.713 -12.129 1.00 0.00 H new ATOM 1095 N SER A 70 4.499 -15.142 -8.713 1.00 0.00 N ATOM 1096 CA SER A 70 3.433 -14.391 -8.062 1.00 0.00 C ATOM 1097 C SER A 70 3.971 -13.100 -7.453 1.00 0.00 C ATOM 1098 O SER A 70 5.021 -13.094 -6.810 1.00 0.00 O ATOM 1099 CB SER A 70 2.770 -15.242 -6.977 1.00 0.00 C ATOM 1100 OG SER A 70 2.506 -16.553 -7.447 1.00 0.00 O ATOM 0 H SER A 70 4.770 -15.997 -8.228 1.00 0.00 H new ATOM 0 HA SER A 70 2.690 -14.134 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.418 -15.290 -6.102 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.839 -14.772 -6.660 1.00 0.00 H new ATOM 0 HG SER A 70 1.575 -16.789 -7.252 1.00 0.00 H new ATOM 1106 N SER A 71 3.243 -12.007 -7.661 1.00 0.00 N ATOM 1107 CA SER A 71 3.649 -10.708 -7.137 1.00 0.00 C ATOM 1108 C SER A 71 2.438 -9.799 -6.940 1.00 0.00 C ATOM 1109 O SER A 71 1.409 -9.966 -7.596 1.00 0.00 O ATOM 1110 CB SER A 71 4.651 -10.043 -8.082 1.00 0.00 C ATOM 1111 OG SER A 71 4.132 -9.955 -9.397 1.00 0.00 O ATOM 0 H SER A 71 2.370 -11.995 -8.188 1.00 0.00 H new ATOM 0 HA SER A 71 4.124 -10.867 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.893 -9.045 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.580 -10.613 -8.092 1.00 0.00 H new ATOM 0 HG SER A 71 4.791 -9.525 -9.981 1.00 0.00 H new ATOM 1117 N LEU A 72 2.569 -8.838 -6.033 1.00 0.00 N ATOM 1118 CA LEU A 72 1.487 -7.902 -5.749 1.00 0.00 C ATOM 1119 C LEU A 72 1.744 -6.554 -6.415 1.00 0.00 C ATOM 1120 O LEU A 72 2.834 -5.994 -6.306 1.00 0.00 O ATOM 1121 CB LEU A 72 1.331 -7.716 -4.239 1.00 0.00 C ATOM 1122 CG LEU A 72 0.011 -7.102 -3.771 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -1.048 -8.181 -3.600 1.00 0.00 C ATOM 1124 CD2 LEU A 72 0.209 -6.336 -2.471 1.00 0.00 C ATOM 0 H LEU A 72 3.414 -8.686 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 72 0.565 -8.317 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.447 -8.688 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.147 -7.087 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.332 -6.402 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.981 -7.726 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.211 -8.685 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.712 -8.906 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.741 -5.906 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.576 -7.015 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.935 -5.538 -2.626 1.00 0.00 H new ATOM 1136 N GLY A 73 0.731 -6.038 -7.105 1.00 0.00 N ATOM 1137 CA GLY A 73 0.867 -4.759 -7.777 1.00 0.00 C ATOM 1138 C GLY A 73 0.242 -3.622 -6.992 1.00 0.00 C ATOM 1139 O GLY A 73 -0.971 -3.595 -6.786 1.00 0.00 O ATOM 0 H GLY A 73 -0.181 -6.483 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.924 -4.547 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.400 -4.817 -8.760 1.00 0.00 H new ATOM 1143 N ILE A 74 1.073 -2.683 -6.552 1.00 0.00 N ATOM 1144 CA ILE A 74 0.594 -1.540 -5.785 1.00 0.00 C ATOM 1145 C ILE A 74 0.559 -0.278 -6.641 1.00 0.00 C ATOM 1146 O ILE A 74 1.602 0.251 -7.027 1.00 0.00 O ATOM 1147 CB ILE A 74 1.476 -1.282 -4.548 1.00 0.00 C ATOM 1148 CG1 ILE A 74 1.539 -2.534 -3.671 1.00 0.00 C ATOM 1149 CG2 ILE A 74 0.942 -0.099 -3.754 1.00 0.00 C ATOM 1150 CD1 ILE A 74 0.206 -2.920 -3.070 1.00 0.00 C ATOM 0 H ILE A 74 2.080 -2.691 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.417 -1.782 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 74 2.486 -1.044 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.914 -3.366 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.256 -2.369 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.576 0.071 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.943 0.791 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.076 -0.310 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.327 -3.816 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.162 -2.105 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.509 -3.118 -3.868 1.00 0.00 H new ATOM 1162 N ILE A 75 -0.646 0.198 -6.934 1.00 0.00 N ATOM 1163 CA ILE A 75 -0.816 1.399 -7.743 1.00 0.00 C ATOM 1164 C ILE A 75 -1.535 2.492 -6.959 1.00 0.00 C ATOM 1165 O ILE A 75 -2.632 2.280 -6.441 1.00 0.00 O ATOM 1166 CB ILE A 75 -1.606 1.102 -9.031 1.00 0.00 C ATOM 1167 CG1 ILE A 75 -0.962 -0.056 -9.796 1.00 0.00 C ATOM 1168 CG2 ILE A 75 -1.679 2.345 -9.906 1.00 0.00 C ATOM 1169 CD1 ILE A 75 -1.894 -0.719 -10.786 1.00 0.00 C ATOM 0 H ILE A 75 -1.519 -0.229 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 75 0.183 1.744 -8.011 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.621 0.812 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.084 0.313 -10.327 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.612 -0.802 -9.083 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.240 2.119 -10.813 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.178 3.146 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.671 2.662 -10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.370 -1.530 -11.291 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.760 -1.119 -10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.224 0.014 -11.522 1.00 0.00 H new ATOM 1181 N VAL A 76 -0.911 3.662 -6.878 1.00 0.00 N ATOM 1182 CA VAL A 76 -1.492 4.791 -6.160 1.00 0.00 C ATOM 1183 C VAL A 76 -1.798 5.945 -7.107 1.00 0.00 C ATOM 1184 O VAL A 76 -0.906 6.468 -7.776 1.00 0.00 O ATOM 1185 CB VAL A 76 -0.553 5.290 -5.046 1.00 0.00 C ATOM 1186 CG1 VAL A 76 -1.144 6.511 -4.358 1.00 0.00 C ATOM 1187 CG2 VAL A 76 -0.282 4.181 -4.041 1.00 0.00 C ATOM 0 H VAL A 76 -0.003 3.854 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.420 4.438 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 76 0.396 5.580 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.467 6.850 -3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.282 7.309 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.107 6.251 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.383 4.551 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.222 3.858 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.187 3.338 -4.548 1.00 0.00 H new ATOM 1197 N LYS A 77 -3.066 6.340 -7.159 1.00 0.00 N ATOM 1198 CA LYS A 77 -3.492 7.435 -8.023 1.00 0.00 C ATOM 1199 C LYS A 77 -4.314 8.455 -7.242 1.00 0.00 C ATOM 1200 O LYS A 77 -4.530 8.303 -6.040 1.00 0.00 O ATOM 1201 CB LYS A 77 -4.311 6.895 -9.198 1.00 0.00 C ATOM 1202 CG LYS A 77 -3.520 5.992 -10.128 1.00 0.00 C ATOM 1203 CD LYS A 77 -4.435 5.125 -10.975 1.00 0.00 C ATOM 1204 CE LYS A 77 -3.702 4.551 -12.179 1.00 0.00 C ATOM 1205 NZ LYS A 77 -3.742 5.477 -13.345 1.00 0.00 N ATOM 0 H LYS A 77 -3.817 5.918 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.600 7.931 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.167 6.342 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.707 7.734 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.890 6.600 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.856 5.357 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.832 4.312 -10.368 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.287 5.715 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.665 4.349 -11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.151 3.597 -12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.232 5.050 -14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.731 5.650 -13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.291 6.378 -13.088 1.00 0.00 H new ATOM 1219 N ASP A 78 -4.771 9.493 -7.933 1.00 0.00 N ATOM 1220 CA ASP A 78 -5.571 10.538 -7.305 1.00 0.00 C ATOM 1221 C ASP A 78 -7.044 10.391 -7.676 1.00 0.00 C ATOM 1222 O ASP A 78 -7.427 10.588 -8.829 1.00 0.00 O ATOM 1223 CB ASP A 78 -5.064 11.919 -7.721 1.00 0.00 C ATOM 1224 CG ASP A 78 -6.008 13.031 -7.309 1.00 0.00 C ATOM 1225 OD1 ASP A 78 -6.894 12.776 -6.466 1.00 0.00 O ATOM 1226 OD2 ASP A 78 -5.860 14.157 -7.828 1.00 0.00 O ATOM 0 H ASP A 78 -4.601 9.633 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.474 10.435 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.085 12.093 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.929 11.943 -8.802 1.00 0.00 H new ATOM 1231 N PHE A 79 -7.864 10.041 -6.691 1.00 0.00 N ATOM 1232 CA PHE A 79 -9.295 9.865 -6.913 1.00 0.00 C ATOM 1233 C PHE A 79 -9.818 10.884 -7.922 1.00 0.00 C ATOM 1234 O PHE A 79 -10.484 10.526 -8.892 1.00 0.00 O ATOM 1235 CB PHE A 79 -10.058 9.999 -5.594 1.00 0.00 C ATOM 1236 CG PHE A 79 -11.428 9.385 -5.629 1.00 0.00 C ATOM 1237 CD1 PHE A 79 -11.592 8.015 -5.498 1.00 0.00 C ATOM 1238 CD2 PHE A 79 -12.553 10.177 -5.793 1.00 0.00 C ATOM 1239 CE1 PHE A 79 -12.852 7.448 -5.532 1.00 0.00 C ATOM 1240 CE2 PHE A 79 -13.816 9.615 -5.827 1.00 0.00 C ATOM 1241 CZ PHE A 79 -13.965 8.249 -5.695 1.00 0.00 C ATOM 0 H PHE A 79 -7.563 9.874 -5.731 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.454 8.865 -7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -9.478 9.530 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.148 11.055 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -10.726 7.383 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.442 11.246 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.966 6.379 -5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.684 10.244 -5.957 1.00 0.00 H new ATOM 0 HZ PHE A 79 -14.950 7.808 -5.719 1.00 0.00 H new ATOM 1378 N ILE A 88 0.492 8.910 -10.092 1.00 0.00 N ATOM 1379 CA ILE A 88 1.362 9.352 -9.009 1.00 0.00 C ATOM 1380 C ILE A 88 2.590 8.456 -8.890 1.00 0.00 C ATOM 1381 O ILE A 88 3.720 8.908 -9.071 1.00 0.00 O ATOM 1382 CB ILE A 88 0.618 9.366 -7.661 1.00 0.00 C ATOM 1383 CG1 ILE A 88 -0.490 10.421 -7.676 1.00 0.00 C ATOM 1384 CG2 ILE A 88 1.592 9.630 -6.522 1.00 0.00 C ATOM 1385 CD1 ILE A 88 -1.516 10.236 -6.580 1.00 0.00 C ATOM 0 HA ILE A 88 1.678 10.367 -9.251 1.00 0.00 H new ATOM 0 HB ILE A 88 0.161 8.389 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.041 11.409 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.994 10.393 -8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.052 9.637 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.349 8.846 -6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.074 10.596 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.271 11.019 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.993 9.262 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.025 10.293 -5.609 1.00 0.00 H new ATOM 1397 N GLY A 89 2.360 7.182 -8.586 1.00 0.00 N ATOM 1398 CA GLY A 89 3.457 6.242 -8.449 1.00 0.00 C ATOM 1399 C GLY A 89 2.980 4.810 -8.319 1.00 0.00 C ATOM 1400 O GLY A 89 1.816 4.560 -8.003 1.00 0.00 O ATOM 0 H GLY A 89 1.433 6.784 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.114 6.326 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.050 6.505 -7.573 1.00 0.00 H new ATOM 1404 N THR A 90 3.881 3.863 -8.564 1.00 0.00 N ATOM 1405 CA THR A 90 3.546 2.447 -8.475 1.00 0.00 C ATOM 1406 C THR A 90 4.659 1.660 -7.793 1.00 0.00 C ATOM 1407 O THR A 90 5.794 2.127 -7.699 1.00 0.00 O ATOM 1408 CB THR A 90 3.284 1.844 -9.867 1.00 0.00 C ATOM 1409 OG1 THR A 90 4.467 1.930 -10.669 1.00 0.00 O ATOM 1410 CG2 THR A 90 2.140 2.565 -10.564 1.00 0.00 C ATOM 0 H THR A 90 4.849 4.052 -8.826 1.00 0.00 H new ATOM 0 HA THR A 90 2.636 2.374 -7.879 1.00 0.00 H new ATOM 0 HB THR A 90 3.008 0.798 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.820 2.844 -10.635 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.974 2.121 -11.545 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.233 2.472 -9.966 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.392 3.619 -10.681 1.00 0.00 H new ATOM 1418 N ALA A 91 4.328 0.464 -7.320 1.00 0.00 N ATOM 1419 CA ALA A 91 5.301 -0.390 -6.650 1.00 0.00 C ATOM 1420 C ALA A 91 4.859 -1.849 -6.672 1.00 0.00 C ATOM 1421 O ALA A 91 3.739 -2.176 -6.279 1.00 0.00 O ATOM 1422 CB ALA A 91 5.514 0.078 -5.218 1.00 0.00 C ATOM 0 H ALA A 91 3.392 0.064 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 91 6.245 -0.317 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.243 -0.568 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.883 1.104 -5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.569 0.034 -4.677 1.00 0.00 H new ATOM 1428 N THR A 92 5.746 -2.724 -7.136 1.00 0.00 N ATOM 1429 CA THR A 92 5.447 -4.148 -7.211 1.00 0.00 C ATOM 1430 C THR A 92 6.214 -4.928 -6.149 1.00 0.00 C ATOM 1431 O THR A 92 7.419 -4.743 -5.978 1.00 0.00 O ATOM 1432 CB THR A 92 5.789 -4.722 -8.599 1.00 0.00 C ATOM 1433 OG1 THR A 92 5.030 -4.046 -9.608 1.00 0.00 O ATOM 1434 CG2 THR A 92 5.500 -6.214 -8.655 1.00 0.00 C ATOM 0 H THR A 92 6.678 -2.471 -7.465 1.00 0.00 H new ATOM 0 HA THR A 92 4.377 -4.255 -7.035 1.00 0.00 H new ATOM 0 HB THR A 92 6.853 -4.568 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.254 -4.415 -10.488 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.750 -6.596 -9.645 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.100 -6.729 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.443 -6.388 -8.455 1.00 0.00 H new ATOM 1442 N VAL A 93 5.509 -5.803 -5.438 1.00 0.00 N ATOM 1443 CA VAL A 93 6.124 -6.613 -4.394 1.00 0.00 C ATOM 1444 C VAL A 93 6.166 -8.084 -4.792 1.00 0.00 C ATOM 1445 O VAL A 93 5.127 -8.712 -4.992 1.00 0.00 O ATOM 1446 CB VAL A 93 5.370 -6.474 -3.058 1.00 0.00 C ATOM 1447 CG1 VAL A 93 6.106 -7.211 -1.950 1.00 0.00 C ATOM 1448 CG2 VAL A 93 5.183 -5.007 -2.702 1.00 0.00 C ATOM 0 H VAL A 93 4.511 -5.969 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 93 7.142 -6.246 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 93 4.384 -6.926 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.558 -7.101 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.182 -8.268 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.106 -6.792 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.649 -4.928 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.158 -4.528 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.609 -4.513 -3.486 1.00 0.00 H new ATOM 1458 N ALA A 94 7.373 -8.627 -4.905 1.00 0.00 N ATOM 1459 CA ALA A 94 7.550 -10.025 -5.276 1.00 0.00 C ATOM 1460 C ALA A 94 7.172 -10.951 -4.125 1.00 0.00 C ATOM 1461 O ALA A 94 7.781 -10.909 -3.055 1.00 0.00 O ATOM 1462 CB ALA A 94 8.987 -10.278 -5.710 1.00 0.00 C ATOM 0 H ALA A 94 8.243 -8.120 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 94 6.886 -10.240 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.105 -11.326 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.224 -9.649 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.663 -10.040 -4.888 1.00 0.00 H new ATOM 1468 N LEU A 95 6.164 -11.786 -4.351 1.00 0.00 N ATOM 1469 CA LEU A 95 5.704 -12.723 -3.331 1.00 0.00 C ATOM 1470 C LEU A 95 6.651 -13.913 -3.219 1.00 0.00 C ATOM 1471 O LEU A 95 6.487 -14.771 -2.351 1.00 0.00 O ATOM 1472 CB LEU A 95 4.291 -13.210 -3.658 1.00 0.00 C ATOM 1473 CG LEU A 95 3.195 -12.144 -3.649 1.00 0.00 C ATOM 1474 CD1 LEU A 95 1.934 -12.669 -4.317 1.00 0.00 C ATOM 1475 CD2 LEU A 95 2.899 -11.695 -2.225 1.00 0.00 C ATOM 0 H LEU A 95 5.650 -11.834 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 95 5.690 -12.202 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.308 -13.677 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.021 -13.986 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 95 3.549 -11.282 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.165 -11.896 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.155 -12.940 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.577 -13.548 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.117 -10.936 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.566 -12.549 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.802 -11.277 -1.780 1.00 0.00 H new ATOM 1487 N LYS A 96 7.644 -13.958 -4.100 1.00 0.00 N ATOM 1488 CA LYS A 96 8.620 -15.041 -4.099 1.00 0.00 C ATOM 1489 C LYS A 96 9.352 -15.112 -2.762 1.00 0.00 C ATOM 1490 O LYS A 96 9.937 -16.139 -2.418 1.00 0.00 O ATOM 1491 CB LYS A 96 9.629 -14.848 -5.234 1.00 0.00 C ATOM 1492 CG LYS A 96 10.225 -13.452 -5.286 1.00 0.00 C ATOM 1493 CD LYS A 96 11.640 -13.470 -5.841 1.00 0.00 C ATOM 1494 CE LYS A 96 12.671 -13.619 -4.733 1.00 0.00 C ATOM 1495 NZ LYS A 96 13.095 -12.299 -4.189 1.00 0.00 N ATOM 0 H LYS A 96 7.794 -13.256 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 96 8.085 -15.978 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.434 -15.574 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.139 -15.061 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.598 -12.811 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.231 -13.021 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.744 -14.292 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.827 -12.549 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.255 -14.226 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.542 -14.151 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.798 -12.443 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.515 -11.729 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.268 -11.802 -3.800 1.00 0.00 H new ATOM 1509 N ASP A 97 9.312 -14.017 -2.012 1.00 0.00 N ATOM 1510 CA ASP A 97 9.969 -13.956 -0.711 1.00 0.00 C ATOM 1511 C ASP A 97 9.071 -14.534 0.378 1.00 0.00 C ATOM 1512 O ASP A 97 9.553 -15.004 1.410 1.00 0.00 O ATOM 1513 CB ASP A 97 10.340 -12.512 -0.370 1.00 0.00 C ATOM 1514 CG ASP A 97 11.325 -12.423 0.779 1.00 0.00 C ATOM 1515 OD1 ASP A 97 11.213 -13.238 1.719 1.00 0.00 O ATOM 1516 OD2 ASP A 97 12.206 -11.539 0.739 1.00 0.00 O ATOM 0 H ASP A 97 8.831 -13.159 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 97 10.879 -14.554 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.769 -12.033 -1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.437 -11.959 -0.114 1.00 0.00 H new ATOM 1521 N LEU A 98 7.764 -14.496 0.143 1.00 0.00 N ATOM 1522 CA LEU A 98 6.798 -15.016 1.104 1.00 0.00 C ATOM 1523 C LEU A 98 6.511 -16.491 0.845 1.00 0.00 C ATOM 1524 O LEU A 98 6.250 -17.257 1.773 1.00 0.00 O ATOM 1525 CB LEU A 98 5.499 -14.212 1.036 1.00 0.00 C ATOM 1526 CG LEU A 98 5.629 -12.705 1.264 1.00 0.00 C ATOM 1527 CD1 LEU A 98 4.470 -11.965 0.614 1.00 0.00 C ATOM 1528 CD2 LEU A 98 5.695 -12.394 2.752 1.00 0.00 C ATOM 0 H LEU A 98 7.349 -14.110 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 98 7.227 -14.919 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.046 -14.373 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.808 -14.613 1.777 1.00 0.00 H new ATOM 0 HG LEU A 98 6.556 -12.366 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.579 -10.894 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.468 -12.161 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.530 -12.308 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.787 -11.317 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.786 -12.748 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.559 -12.894 3.190 1.00 0.00 H new ATOM 1540 N THR A 99 6.562 -16.885 -0.424 1.00 0.00 N ATOM 1541 CA THR A 99 6.309 -18.268 -0.807 1.00 0.00 C ATOM 1542 C THR A 99 7.127 -19.232 0.044 1.00 0.00 C ATOM 1543 O THR A 99 8.296 -18.981 0.334 1.00 0.00 O ATOM 1544 CB THR A 99 6.635 -18.509 -2.293 1.00 0.00 C ATOM 1545 OG1 THR A 99 8.030 -18.291 -2.530 1.00 0.00 O ATOM 1546 CG2 THR A 99 5.814 -17.588 -3.183 1.00 0.00 C ATOM 0 H THR A 99 6.777 -16.264 -1.205 1.00 0.00 H new ATOM 0 HA THR A 99 5.247 -18.452 -0.642 1.00 0.00 H new ATOM 0 HB THR A 99 6.383 -19.542 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.278 -17.395 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 99 6.061 -17.776 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.753 -17.777 -3.021 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.039 -16.550 -2.938 1.00 0.00 H new ATOM 1554 N GLY A 100 6.505 -20.338 0.442 1.00 0.00 N ATOM 1555 CA GLY A 100 7.192 -21.324 1.255 1.00 0.00 C ATOM 1556 C GLY A 100 6.252 -22.381 1.802 1.00 0.00 C ATOM 1557 O GLY A 100 5.088 -22.449 1.408 1.00 0.00 O ATOM 0 H GLY A 100 5.537 -20.568 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 100 7.968 -21.805 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.692 -20.823 2.084 1.00 0.00 H new ATOM 1561 N ASP A 101 6.759 -23.207 2.711 1.00 0.00 N ATOM 1562 CA ASP A 101 5.957 -24.266 3.313 1.00 0.00 C ATOM 1563 C ASP A 101 5.551 -23.898 4.736 1.00 0.00 C ATOM 1564 O ASP A 101 5.369 -24.771 5.585 1.00 0.00 O ATOM 1565 CB ASP A 101 6.733 -25.584 3.315 1.00 0.00 C ATOM 1566 CG ASP A 101 7.011 -26.094 1.915 1.00 0.00 C ATOM 1567 OD1 ASP A 101 6.061 -26.569 1.258 1.00 0.00 O ATOM 1568 OD2 ASP A 101 8.178 -26.020 1.476 1.00 0.00 O ATOM 0 H ASP A 101 7.721 -23.164 3.047 1.00 0.00 H new ATOM 0 HA ASP A 101 5.053 -24.387 2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.677 -25.446 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.167 -26.335 3.866 1.00 0.00 H new ATOM 1573 N GLN A 102 5.411 -22.601 4.990 1.00 0.00 N ATOM 1574 CA GLN A 102 5.029 -22.118 6.312 1.00 0.00 C ATOM 1575 C GLN A 102 4.694 -20.631 6.272 1.00 0.00 C ATOM 1576 O GLN A 102 5.470 -19.823 5.762 1.00 0.00 O ATOM 1577 CB GLN A 102 6.154 -22.373 7.316 1.00 0.00 C ATOM 1578 CG GLN A 102 7.362 -21.472 7.118 1.00 0.00 C ATOM 1579 CD GLN A 102 8.656 -22.125 7.563 1.00 0.00 C ATOM 1580 OE1 GLN A 102 9.338 -21.629 8.460 1.00 0.00 O ATOM 1581 NE2 GLN A 102 9.001 -23.244 6.936 1.00 0.00 N ATOM 0 H GLN A 102 5.556 -21.866 4.298 1.00 0.00 H new ATOM 0 HA GLN A 102 4.140 -22.664 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.768 -22.232 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.470 -23.413 7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.440 -21.201 6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.216 -20.547 7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.405 -23.620 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.862 -23.728 7.192 1.00 0.00 H new ATOM 1590 N SER A 103 3.533 -20.276 6.813 1.00 0.00 N ATOM 1591 CA SER A 103 3.093 -18.886 6.836 1.00 0.00 C ATOM 1592 C SER A 103 4.280 -17.943 7.008 1.00 0.00 C ATOM 1593 O SER A 103 5.171 -18.192 7.820 1.00 0.00 O ATOM 1594 CB SER A 103 2.084 -18.666 7.965 1.00 0.00 C ATOM 1595 OG SER A 103 1.749 -17.295 8.090 1.00 0.00 O ATOM 0 H SER A 103 2.880 -20.932 7.241 1.00 0.00 H new ATOM 0 HA SER A 103 2.613 -18.667 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.183 -19.247 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.500 -19.029 8.905 1.00 0.00 H new ATOM 0 HG SER A 103 0.783 -17.182 7.968 1.00 0.00 H new ATOM 1601 N ARG A 104 4.284 -16.860 6.238 1.00 0.00 N ATOM 1602 CA ARG A 104 5.361 -15.880 6.304 1.00 0.00 C ATOM 1603 C ARG A 104 4.843 -14.481 5.985 1.00 0.00 C ATOM 1604 O ARG A 104 4.350 -14.225 4.887 1.00 0.00 O ATOM 1605 CB ARG A 104 6.480 -16.255 5.330 1.00 0.00 C ATOM 1606 CG ARG A 104 7.462 -15.125 5.067 1.00 0.00 C ATOM 1607 CD ARG A 104 8.853 -15.656 4.755 1.00 0.00 C ATOM 1608 NE ARG A 104 8.885 -16.402 3.500 1.00 0.00 N ATOM 1609 CZ ARG A 104 9.952 -17.065 3.066 1.00 0.00 C ATOM 1610 NH1 ARG A 104 11.067 -17.074 3.783 1.00 0.00 N ATOM 1611 NH2 ARG A 104 9.904 -17.720 1.914 1.00 0.00 N ATOM 0 H ARG A 104 3.553 -16.639 5.561 1.00 0.00 H new ATOM 0 HA ARG A 104 5.757 -15.880 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.024 -17.112 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.037 -16.568 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.107 -14.520 4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.508 -14.471 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 104 9.555 -14.824 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.186 -16.301 5.569 1.00 0.00 H new ATOM 0 HE ARG A 104 8.043 -16.415 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 104 11.107 -16.571 4.670 1.00 0.00 H new ATOM 0 HH12 ARG A 104 11.885 -17.584 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.048 -17.715 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 104 10.723 -18.228 1.582 1.00 0.00 H new ATOM 1625 N SER A 105 4.958 -13.578 6.955 1.00 0.00 N ATOM 1626 CA SER A 105 4.498 -12.206 6.780 1.00 0.00 C ATOM 1627 C SER A 105 5.649 -11.220 6.956 1.00 0.00 C ATOM 1628 O SER A 105 6.108 -10.976 8.072 1.00 0.00 O ATOM 1629 CB SER A 105 3.383 -11.888 7.778 1.00 0.00 C ATOM 1630 OG SER A 105 3.782 -12.193 9.103 1.00 0.00 O ATOM 0 H SER A 105 5.366 -13.773 7.869 1.00 0.00 H new ATOM 0 HA SER A 105 4.109 -12.107 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.118 -10.833 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.490 -12.458 7.524 1.00 0.00 H new ATOM 0 HG SER A 105 4.712 -11.913 9.237 1.00 0.00 H new ATOM 1636 N LEU A 106 6.111 -10.656 5.845 1.00 0.00 N ATOM 1637 CA LEU A 106 7.209 -9.695 5.875 1.00 0.00 C ATOM 1638 C LEU A 106 6.695 -8.274 5.669 1.00 0.00 C ATOM 1639 O LEU A 106 6.080 -7.951 4.652 1.00 0.00 O ATOM 1640 CB LEU A 106 8.240 -10.037 4.798 1.00 0.00 C ATOM 1641 CG LEU A 106 8.970 -11.371 4.968 1.00 0.00 C ATOM 1642 CD1 LEU A 106 9.519 -11.852 3.634 1.00 0.00 C ATOM 1643 CD2 LEU A 106 10.089 -11.240 5.991 1.00 0.00 C ATOM 0 H LEU A 106 5.743 -10.847 4.913 1.00 0.00 H new ATOM 0 HA LEU A 106 7.683 -9.752 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.738 -10.041 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.983 -9.240 4.768 1.00 0.00 H new ATOM 0 HG LEU A 106 8.257 -12.110 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.035 -12.802 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.698 -11.985 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.218 -11.114 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.597 -12.198 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.802 -10.487 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.670 -10.941 6.952 1.00 0.00 H new ATOM 1655 N PRO A 107 6.953 -7.403 6.655 1.00 0.00 N ATOM 1656 CA PRO A 107 6.527 -6.001 6.604 1.00 0.00 C ATOM 1657 C PRO A 107 7.298 -5.198 5.561 1.00 0.00 C ATOM 1658 O PRO A 107 8.470 -4.876 5.754 1.00 0.00 O ATOM 1659 CB PRO A 107 6.837 -5.485 8.012 1.00 0.00 C ATOM 1660 CG PRO A 107 7.930 -6.367 8.507 1.00 0.00 C ATOM 1661 CD PRO A 107 7.680 -7.719 7.896 1.00 0.00 C ATOM 0 HA PRO A 107 5.479 -5.904 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.150 -4.441 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.960 -5.542 8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 107 8.906 -5.981 8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 107 7.923 -6.423 9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.612 -8.247 7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.091 -8.356 8.556 1.00 0.00 H new ATOM 1669 N TYR A 108 6.632 -4.879 4.457 1.00 0.00 N ATOM 1670 CA TYR A 108 7.256 -4.116 3.383 1.00 0.00 C ATOM 1671 C TYR A 108 7.011 -2.621 3.563 1.00 0.00 C ATOM 1672 O TYR A 108 5.936 -2.113 3.243 1.00 0.00 O ATOM 1673 CB TYR A 108 6.717 -4.573 2.026 1.00 0.00 C ATOM 1674 CG TYR A 108 7.184 -5.953 1.623 1.00 0.00 C ATOM 1675 CD1 TYR A 108 8.427 -6.143 1.032 1.00 0.00 C ATOM 1676 CD2 TYR A 108 6.381 -7.068 1.831 1.00 0.00 C ATOM 1677 CE1 TYR A 108 8.857 -7.402 0.661 1.00 0.00 C ATOM 1678 CE2 TYR A 108 6.804 -8.331 1.465 1.00 0.00 C ATOM 1679 CZ TYR A 108 8.043 -8.493 0.880 1.00 0.00 C ATOM 1680 OH TYR A 108 8.467 -9.749 0.513 1.00 0.00 O ATOM 0 H TYR A 108 5.661 -5.137 4.282 1.00 0.00 H new ATOM 0 HA TYR A 108 8.330 -4.296 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 108 5.627 -4.561 2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.024 -3.858 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 108 9.068 -5.291 0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 108 5.410 -6.945 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.826 -7.531 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 108 6.168 -9.187 1.636 1.00 0.00 H new ATOM 0 HH TYR A 108 7.776 -10.406 0.738 1.00 0.00 H new ATOM 1690 N LYS A 109 8.016 -1.921 4.077 1.00 0.00 N ATOM 1691 CA LYS A 109 7.913 -0.484 4.299 1.00 0.00 C ATOM 1692 C LYS A 109 9.011 0.263 3.548 1.00 0.00 C ATOM 1693 O LYS A 109 9.999 -0.334 3.118 1.00 0.00 O ATOM 1694 CB LYS A 109 8.000 -0.170 5.795 1.00 0.00 C ATOM 1695 CG LYS A 109 7.193 -1.120 6.663 1.00 0.00 C ATOM 1696 CD LYS A 109 6.699 -0.436 7.927 1.00 0.00 C ATOM 1697 CE LYS A 109 6.082 -1.433 8.895 1.00 0.00 C ATOM 1698 NZ LYS A 109 6.198 -0.978 10.309 1.00 0.00 N ATOM 0 H LYS A 109 8.912 -2.326 4.348 1.00 0.00 H new ATOM 0 HA LYS A 109 6.947 -0.152 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 109 9.044 -0.206 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.652 0.849 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.342 -1.498 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 109 7.806 -1.981 6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.529 0.078 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.962 0.324 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.031 -1.579 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.573 -2.400 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.766 -1.685 10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.202 -0.863 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.707 -0.068 10.422 1.00 0.00 H new ATOM 1712 N LEU A 110 8.833 1.570 3.395 1.00 0.00 N ATOM 1713 CA LEU A 110 9.809 2.399 2.696 1.00 0.00 C ATOM 1714 C LEU A 110 9.935 1.979 1.235 1.00 0.00 C ATOM 1715 O LEU A 110 11.038 1.909 0.692 1.00 0.00 O ATOM 1716 CB LEU A 110 11.172 2.305 3.385 1.00 0.00 C ATOM 1717 CG LEU A 110 11.182 2.561 4.892 1.00 0.00 C ATOM 1718 CD1 LEU A 110 12.332 1.816 5.553 1.00 0.00 C ATOM 1719 CD2 LEU A 110 11.275 4.053 5.179 1.00 0.00 C ATOM 0 H LEU A 110 8.022 2.079 3.746 1.00 0.00 H new ATOM 0 HA LEU A 110 9.462 3.432 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.581 1.311 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.846 3.019 2.911 1.00 0.00 H new ATOM 0 HG LEU A 110 10.247 2.188 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.323 2.010 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.221 0.746 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 110 13.277 2.157 5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.281 4.217 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.193 4.450 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.417 4.562 4.739 1.00 0.00 H new ATOM 1731 N ILE A 111 8.798 1.702 0.605 1.00 0.00 N ATOM 1732 CA ILE A 111 8.781 1.292 -0.794 1.00 0.00 C ATOM 1733 C ILE A 111 8.769 2.503 -1.721 1.00 0.00 C ATOM 1734 O ILE A 111 7.845 3.315 -1.686 1.00 0.00 O ATOM 1735 CB ILE A 111 7.560 0.408 -1.106 1.00 0.00 C ATOM 1736 CG1 ILE A 111 7.603 -0.873 -0.271 1.00 0.00 C ATOM 1737 CG2 ILE A 111 7.511 0.078 -2.591 1.00 0.00 C ATOM 1738 CD1 ILE A 111 6.391 -1.758 -0.460 1.00 0.00 C ATOM 0 H ILE A 111 7.877 1.754 1.041 1.00 0.00 H new ATOM 0 HA ILE A 111 9.690 0.715 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 111 6.656 0.958 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 111 8.499 -1.437 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.688 -0.608 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 111 6.642 -0.548 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 111 7.438 1.001 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.418 -0.456 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.489 -2.648 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 111 5.493 -1.211 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.316 -2.054 -1.506 1.00 0.00 H new ATOM 1750 N SER A 112 9.801 2.616 -2.551 1.00 0.00 N ATOM 1751 CA SER A 112 9.911 3.729 -3.487 1.00 0.00 C ATOM 1752 C SER A 112 8.927 3.567 -4.641 1.00 0.00 C ATOM 1753 O SER A 112 8.982 2.588 -5.387 1.00 0.00 O ATOM 1754 CB SER A 112 11.338 3.828 -4.029 1.00 0.00 C ATOM 1755 OG SER A 112 12.142 4.651 -3.202 1.00 0.00 O ATOM 0 H SER A 112 10.573 1.951 -2.594 1.00 0.00 H new ATOM 0 HA SER A 112 9.669 4.647 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.776 2.832 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.319 4.232 -5.041 1.00 0.00 H new ATOM 0 HG SER A 112 13.049 4.697 -3.569 1.00 0.00 H new ATOM 1761 N LEU A 113 8.026 4.533 -4.782 1.00 0.00 N ATOM 1762 CA LEU A 113 7.028 4.499 -5.845 1.00 0.00 C ATOM 1763 C LEU A 113 7.576 5.119 -7.127 1.00 0.00 C ATOM 1764 O LEU A 113 8.244 6.154 -7.092 1.00 0.00 O ATOM 1765 CB LEU A 113 5.762 5.239 -5.408 1.00 0.00 C ATOM 1766 CG LEU A 113 5.005 4.632 -4.226 1.00 0.00 C ATOM 1767 CD1 LEU A 113 3.826 5.511 -3.840 1.00 0.00 C ATOM 1768 CD2 LEU A 113 4.535 3.223 -4.561 1.00 0.00 C ATOM 0 H LEU A 113 7.966 5.349 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 113 6.781 3.456 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.034 6.263 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.084 5.292 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 113 5.683 4.575 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.299 5.063 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.187 6.500 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.146 5.600 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.998 2.806 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.873 3.256 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.397 2.596 -4.788 1.00 0.00 H new ATOM 1780 N LEU A 114 7.287 4.483 -8.256 1.00 0.00 N ATOM 1781 CA LEU A 114 7.749 4.973 -9.550 1.00 0.00 C ATOM 1782 C LEU A 114 6.570 5.278 -10.469 1.00 0.00 C ATOM 1783 O LEU A 114 5.526 4.632 -10.390 1.00 0.00 O ATOM 1784 CB LEU A 114 8.671 3.945 -10.208 1.00 0.00 C ATOM 1785 CG LEU A 114 9.604 3.181 -9.268 1.00 0.00 C ATOM 1786 CD1 LEU A 114 10.110 1.910 -9.933 1.00 0.00 C ATOM 1787 CD2 LEU A 114 10.769 4.062 -8.842 1.00 0.00 C ATOM 0 H LEU A 114 6.735 3.627 -8.302 1.00 0.00 H new ATOM 0 HA LEU A 114 8.305 5.896 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.054 3.222 -10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.279 4.457 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 114 9.041 2.901 -8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 114 10.772 1.380 -9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 114 9.264 1.271 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 114 10.656 2.167 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 114 11.423 3.502 -8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 114 11.331 4.373 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 114 10.389 4.943 -8.324 1.00 0.00 H new ATOM 1799 N ASN A 115 6.747 6.265 -11.342 1.00 0.00 N ATOM 1800 CA ASN A 115 5.698 6.654 -12.277 1.00 0.00 C ATOM 1801 C ASN A 115 5.591 5.652 -13.422 1.00 0.00 C ATOM 1802 O ASN A 115 6.309 4.653 -13.454 1.00 0.00 O ATOM 1803 CB ASN A 115 5.976 8.053 -12.833 1.00 0.00 C ATOM 1804 CG ASN A 115 7.447 8.279 -13.122 1.00 0.00 C ATOM 1805 OD1 ASN A 115 8.123 7.411 -13.675 1.00 0.00 O ATOM 1806 ND2 ASN A 115 7.950 9.449 -12.748 1.00 0.00 N ATOM 0 H ASN A 115 7.606 6.809 -11.421 1.00 0.00 H new ATOM 0 HA ASN A 115 4.751 6.665 -11.738 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.402 8.198 -13.749 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.630 8.800 -12.119 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.934 9.658 -12.916 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.352 10.139 -12.293 1.00 0.00 H new ATOM 1813 N GLU A 116 4.690 5.927 -14.360 1.00 0.00 N ATOM 1814 CA GLU A 116 4.489 5.048 -15.506 1.00 0.00 C ATOM 1815 C GLU A 116 5.779 4.893 -16.306 1.00 0.00 C ATOM 1816 O GLU A 116 5.912 3.982 -17.123 1.00 0.00 O ATOM 1817 CB GLU A 116 3.380 5.595 -16.408 1.00 0.00 C ATOM 1818 CG GLU A 116 3.758 6.878 -17.129 1.00 0.00 C ATOM 1819 CD GLU A 116 2.548 7.670 -17.584 1.00 0.00 C ATOM 1820 OE1 GLU A 116 1.437 7.396 -17.085 1.00 0.00 O ATOM 1821 OE2 GLU A 116 2.713 8.565 -18.440 1.00 0.00 O ATOM 0 H GLU A 116 4.088 6.751 -14.349 1.00 0.00 H new ATOM 0 HA GLU A 116 4.194 4.068 -15.132 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.117 4.837 -17.146 1.00 0.00 H new ATOM 0 HB3 GLU A 116 2.490 5.776 -15.806 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.365 7.497 -16.468 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.375 6.636 -17.994 1.00 0.00 H new ATOM 1828 N LYS A 117 6.728 5.791 -16.065 1.00 0.00 N ATOM 1829 CA LYS A 117 8.009 5.756 -16.761 1.00 0.00 C ATOM 1830 C LYS A 117 9.013 4.886 -16.010 1.00 0.00 C ATOM 1831 O LYS A 117 9.954 4.357 -16.600 1.00 0.00 O ATOM 1832 CB LYS A 117 8.566 7.173 -16.920 1.00 0.00 C ATOM 1833 CG LYS A 117 7.815 8.010 -17.942 1.00 0.00 C ATOM 1834 CD LYS A 117 8.233 7.664 -19.361 1.00 0.00 C ATOM 1835 CE LYS A 117 8.023 8.837 -20.306 1.00 0.00 C ATOM 1836 NZ LYS A 117 8.945 9.966 -20.000 1.00 0.00 N ATOM 0 H LYS A 117 6.634 6.552 -15.393 1.00 0.00 H new ATOM 0 HA LYS A 117 7.846 5.323 -17.748 1.00 0.00 H new ATOM 0 HB2 LYS A 117 8.533 7.678 -15.955 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.614 7.112 -17.212 1.00 0.00 H new ATOM 0 HG2 LYS A 117 6.743 7.849 -17.828 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.001 9.068 -17.755 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.283 7.371 -19.371 1.00 0.00 H new ATOM 0 HD3 LYS A 117 7.659 6.806 -19.711 1.00 0.00 H new ATOM 0 HE2 LYS A 117 8.179 8.508 -21.333 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.991 9.181 -20.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 9.089 10.539 -20.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.532 10.559 -19.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 9.859 9.590 -19.678 1.00 0.00 H new ATOM 1850 N GLY A 118 8.804 4.741 -14.705 1.00 0.00 N ATOM 1851 CA GLY A 118 9.697 3.933 -13.896 1.00 0.00 C ATOM 1852 C GLY A 118 10.741 4.766 -13.178 1.00 0.00 C ATOM 1853 O GLY A 118 11.802 4.260 -12.813 1.00 0.00 O ATOM 0 H GLY A 118 8.032 5.169 -14.194 1.00 0.00 H new ATOM 0 HA2 GLY A 118 9.114 3.376 -13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 118 10.195 3.200 -14.531 1.00 0.00 H new ATOM 1857 N GLN A 119 10.441 6.044 -12.977 1.00 0.00 N ATOM 1858 CA GLN A 119 11.363 6.948 -12.300 1.00 0.00 C ATOM 1859 C GLN A 119 10.911 7.217 -10.869 1.00 0.00 C ATOM 1860 O GLN A 119 9.720 7.151 -10.561 1.00 0.00 O ATOM 1861 CB GLN A 119 11.475 8.266 -13.069 1.00 0.00 C ATOM 1862 CG GLN A 119 12.246 8.147 -14.373 1.00 0.00 C ATOM 1863 CD GLN A 119 13.715 7.840 -14.156 1.00 0.00 C ATOM 1864 OE1 GLN A 119 14.192 6.759 -14.500 1.00 0.00 O ATOM 1865 NE2 GLN A 119 14.441 8.793 -13.584 1.00 0.00 N ATOM 0 H GLN A 119 9.566 6.477 -13.273 1.00 0.00 H new ATOM 0 HA GLN A 119 12.342 6.470 -12.268 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.473 8.639 -13.282 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.963 9.006 -12.435 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.801 7.361 -14.984 1.00 0.00 H new ATOM 0 HG3 GLN A 119 12.152 9.078 -14.933 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.004 9.675 -13.315 1.00 0.00 H new ATOM 0 HE22 GLN A 119 15.436 8.644 -13.414 1.00 0.00 H new ATOM 1874 N ASP A 120 11.867 7.520 -9.998 1.00 0.00 N ATOM 1875 CA ASP A 120 11.567 7.799 -8.599 1.00 0.00 C ATOM 1876 C ASP A 120 10.660 9.019 -8.471 1.00 0.00 C ATOM 1877 O ASP A 120 11.034 10.128 -8.853 1.00 0.00 O ATOM 1878 CB ASP A 120 12.859 8.025 -7.813 1.00 0.00 C ATOM 1879 CG ASP A 120 13.842 8.908 -8.556 1.00 0.00 C ATOM 1880 OD1 ASP A 120 14.479 8.416 -9.511 1.00 0.00 O ATOM 1881 OD2 ASP A 120 13.973 10.093 -8.183 1.00 0.00 O ATOM 0 H ASP A 120 12.857 7.579 -10.237 1.00 0.00 H new ATOM 0 HA ASP A 120 11.046 6.935 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.621 8.480 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.326 7.063 -7.603 1.00 0.00 H new ATOM 1886 N THR A 121 9.463 8.806 -7.931 1.00 0.00 N ATOM 1887 CA THR A 121 8.502 9.887 -7.755 1.00 0.00 C ATOM 1888 C THR A 121 8.771 10.658 -6.468 1.00 0.00 C ATOM 1889 O THR A 121 8.610 11.877 -6.417 1.00 0.00 O ATOM 1890 CB THR A 121 7.057 9.355 -7.728 1.00 0.00 C ATOM 1891 OG1 THR A 121 6.886 8.456 -6.626 1.00 0.00 O ATOM 1892 CG2 THR A 121 6.719 8.640 -9.028 1.00 0.00 C ATOM 0 H THR A 121 9.137 7.895 -7.608 1.00 0.00 H new ATOM 0 HA THR A 121 8.620 10.556 -8.608 1.00 0.00 H new ATOM 0 HB THR A 121 6.383 10.204 -7.612 1.00 0.00 H new ATOM 0 HG1 THR A 121 7.351 7.614 -6.815 1.00 0.00 H new ATOM 0 HG21 THR A 121 5.694 8.273 -8.985 1.00 0.00 H new ATOM 0 HG22 THR A 121 6.822 9.334 -9.862 1.00 0.00 H new ATOM 0 HG23 THR A 121 7.399 7.800 -9.169 1.00 0.00 H new ATOM 1900 N GLY A 122 9.184 9.940 -5.428 1.00 0.00 N ATOM 1901 CA GLY A 122 9.470 10.574 -4.154 1.00 0.00 C ATOM 1902 C GLY A 122 8.410 10.283 -3.111 1.00 0.00 C ATOM 1903 O GLY A 122 8.304 10.990 -2.110 1.00 0.00 O ATOM 0 H GLY A 122 9.326 8.930 -5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 122 10.438 10.230 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 122 9.548 11.652 -4.297 1.00 0.00 H new ATOM 1907 N ALA A 123 7.622 9.238 -3.345 1.00 0.00 N ATOM 1908 CA ALA A 123 6.566 8.855 -2.417 1.00 0.00 C ATOM 1909 C ALA A 123 6.825 7.471 -1.831 1.00 0.00 C ATOM 1910 O ALA A 123 7.185 6.538 -2.549 1.00 0.00 O ATOM 1911 CB ALA A 123 5.213 8.889 -3.113 1.00 0.00 C ATOM 0 H ALA A 123 7.696 8.642 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 123 6.560 9.573 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.434 8.601 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 123 5.017 9.897 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 123 5.218 8.194 -3.952 1.00 0.00 H new ATOM 1917 N THR A 124 6.641 7.345 -0.520 1.00 0.00 N ATOM 1918 CA THR A 124 6.858 6.076 0.164 1.00 0.00 C ATOM 1919 C THR A 124 5.585 5.599 0.853 1.00 0.00 C ATOM 1920 O THR A 124 4.853 6.393 1.444 1.00 0.00 O ATOM 1921 CB THR A 124 7.984 6.186 1.209 1.00 0.00 C ATOM 1922 OG1 THR A 124 7.548 6.981 2.317 1.00 0.00 O ATOM 1923 CG2 THR A 124 9.233 6.802 0.596 1.00 0.00 C ATOM 0 H THR A 124 6.342 8.107 0.089 1.00 0.00 H new ATOM 0 HA THR A 124 7.149 5.352 -0.597 1.00 0.00 H new ATOM 0 HB THR A 124 8.227 5.182 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 124 8.269 7.045 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 124 10.014 6.870 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 124 9.579 6.179 -0.228 1.00 0.00 H new ATOM 0 HG23 THR A 124 9.001 7.800 0.224 1.00 0.00 H new ATOM 1931 N ILE A 125 5.327 4.298 0.775 1.00 0.00 N ATOM 1932 CA ILE A 125 4.143 3.715 1.393 1.00 0.00 C ATOM 1933 C ILE A 125 4.478 2.404 2.096 1.00 0.00 C ATOM 1934 O ILE A 125 5.272 1.606 1.597 1.00 0.00 O ATOM 1935 CB ILE A 125 3.034 3.459 0.355 1.00 0.00 C ATOM 1936 CG1 ILE A 125 1.847 2.750 1.010 1.00 0.00 C ATOM 1937 CG2 ILE A 125 3.574 2.638 -0.805 1.00 0.00 C ATOM 1938 CD1 ILE A 125 0.593 2.766 0.164 1.00 0.00 C ATOM 0 H ILE A 125 5.923 3.627 0.289 1.00 0.00 H new ATOM 0 HA ILE A 125 3.783 4.436 2.127 1.00 0.00 H new ATOM 0 HB ILE A 125 2.691 4.418 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.122 1.716 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.635 3.223 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.779 2.465 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 125 4.391 3.178 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 125 3.941 1.681 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.207 2.246 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.294 3.797 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.788 2.266 -0.785 1.00 0.00 H new ATOM 1950 N ASP A 126 3.868 2.188 3.256 1.00 0.00 N ATOM 1951 CA ASP A 126 4.099 0.972 4.027 1.00 0.00 C ATOM 1952 C ASP A 126 3.012 -0.062 3.749 1.00 0.00 C ATOM 1953 O ASP A 126 1.844 0.283 3.566 1.00 0.00 O ATOM 1954 CB ASP A 126 4.146 1.292 5.522 1.00 0.00 C ATOM 1955 CG ASP A 126 4.983 2.519 5.825 1.00 0.00 C ATOM 1956 OD1 ASP A 126 6.201 2.488 5.552 1.00 0.00 O ATOM 1957 OD2 ASP A 126 4.420 3.510 6.337 1.00 0.00 O ATOM 0 H ASP A 126 3.210 2.839 3.683 1.00 0.00 H new ATOM 0 HA ASP A 126 5.059 0.555 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 126 3.132 1.448 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 126 4.552 0.436 6.061 1.00 0.00 H new ATOM 1962 N LEU A 127 3.404 -1.331 3.718 1.00 0.00 N ATOM 1963 CA LEU A 127 2.464 -2.416 3.462 1.00 0.00 C ATOM 1964 C LEU A 127 2.947 -3.717 4.096 1.00 0.00 C ATOM 1965 O LEU A 127 4.133 -4.043 4.042 1.00 0.00 O ATOM 1966 CB LEU A 127 2.275 -2.609 1.956 1.00 0.00 C ATOM 1967 CG LEU A 127 1.726 -1.406 1.189 1.00 0.00 C ATOM 1968 CD1 LEU A 127 2.021 -1.540 -0.297 1.00 0.00 C ATOM 1969 CD2 LEU A 127 0.230 -1.259 1.427 1.00 0.00 C ATOM 0 H LEU A 127 4.367 -1.634 3.867 1.00 0.00 H new ATOM 0 HA LEU A 127 1.508 -2.148 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.236 -2.884 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.602 -3.452 1.800 1.00 0.00 H new ATOM 0 HG LEU A 127 2.222 -0.508 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.623 -0.675 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 127 3.099 -1.595 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.553 -2.447 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.144 -0.398 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.283 -2.159 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.043 -1.115 2.491 1.00 0.00 H new ATOM 1981 N VAL A 128 2.020 -4.458 4.695 1.00 0.00 N ATOM 1982 CA VAL A 128 2.350 -5.725 5.336 1.00 0.00 C ATOM 1983 C VAL A 128 1.576 -6.877 4.708 1.00 0.00 C ATOM 1984 O VAL A 128 0.378 -7.037 4.946 1.00 0.00 O ATOM 1985 CB VAL A 128 2.052 -5.683 6.847 1.00 0.00 C ATOM 1986 CG1 VAL A 128 2.503 -6.973 7.515 1.00 0.00 C ATOM 1987 CG2 VAL A 128 2.722 -4.478 7.489 1.00 0.00 C ATOM 0 H VAL A 128 1.034 -4.202 4.750 1.00 0.00 H new ATOM 0 HA VAL A 128 3.418 -5.886 5.188 1.00 0.00 H new ATOM 0 HB VAL A 128 0.975 -5.587 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.285 -6.926 8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.972 -7.816 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.575 -7.102 7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.501 -4.464 8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.800 -4.540 7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.346 -3.564 7.029 1.00 0.00 H new ATOM 1997 N ILE A 129 2.267 -7.679 3.904 1.00 0.00 N ATOM 1998 CA ILE A 129 1.643 -8.818 3.242 1.00 0.00 C ATOM 1999 C ILE A 129 1.989 -10.123 3.952 1.00 0.00 C ATOM 2000 O ILE A 129 3.148 -10.377 4.276 1.00 0.00 O ATOM 2001 CB ILE A 129 2.077 -8.919 1.768 1.00 0.00 C ATOM 2002 CG1 ILE A 129 2.068 -7.535 1.115 1.00 0.00 C ATOM 2003 CG2 ILE A 129 1.164 -9.873 1.012 1.00 0.00 C ATOM 2004 CD1 ILE A 129 2.989 -7.424 -0.080 1.00 0.00 C ATOM 0 H ILE A 129 3.258 -7.561 3.696 1.00 0.00 H new ATOM 0 HA ILE A 129 0.566 -8.657 3.285 1.00 0.00 H new ATOM 0 HB ILE A 129 3.093 -9.312 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.051 -7.296 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.357 -6.790 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 129 1.483 -9.934 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.216 -10.863 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.138 -9.507 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 129 2.931 -6.416 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 129 4.013 -7.631 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.687 -8.144 -0.840 1.00 0.00 H new ATOM 2016 N GLY A 130 0.974 -10.948 4.190 1.00 0.00 N ATOM 2017 CA GLY A 130 1.191 -12.218 4.858 1.00 0.00 C ATOM 2018 C GLY A 130 0.695 -13.395 4.042 1.00 0.00 C ATOM 2019 O GLY A 130 -0.481 -13.459 3.684 1.00 0.00 O ATOM 0 H GLY A 130 0.005 -10.760 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 130 2.255 -12.342 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.683 -12.209 5.823 1.00 0.00 H new ATOM 2023 N TYR A 131 1.594 -14.327 3.746 1.00 0.00 N ATOM 2024 CA TYR A 131 1.242 -15.506 2.963 1.00 0.00 C ATOM 2025 C TYR A 131 0.891 -16.680 3.873 1.00 0.00 C ATOM 2026 O TYR A 131 1.627 -16.998 4.807 1.00 0.00 O ATOM 2027 CB TYR A 131 2.397 -15.892 2.037 1.00 0.00 C ATOM 2028 CG TYR A 131 2.376 -17.344 1.616 1.00 0.00 C ATOM 2029 CD1 TYR A 131 1.329 -17.852 0.856 1.00 0.00 C ATOM 2030 CD2 TYR A 131 3.401 -18.208 1.979 1.00 0.00 C ATOM 2031 CE1 TYR A 131 1.306 -19.179 0.469 1.00 0.00 C ATOM 2032 CE2 TYR A 131 3.387 -19.535 1.596 1.00 0.00 C ATOM 2033 CZ TYR A 131 2.337 -20.016 0.841 1.00 0.00 C ATOM 2034 OH TYR A 131 2.318 -21.337 0.459 1.00 0.00 O ATOM 0 H TYR A 131 2.571 -14.289 4.036 1.00 0.00 H new ATOM 0 HA TYR A 131 0.367 -15.263 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 131 2.364 -15.264 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 131 3.341 -15.682 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 131 0.520 -17.199 0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 131 4.224 -17.836 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.485 -19.558 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.193 -20.192 1.886 1.00 0.00 H new ATOM 0 HH TYR A 131 3.166 -21.761 0.706 1.00 0.00 H new ATOM 2044 N ASP A 132 -0.239 -17.319 3.592 1.00 0.00 N ATOM 2045 CA ASP A 132 -0.689 -18.459 4.383 1.00 0.00 C ATOM 2046 C ASP A 132 -1.061 -19.633 3.482 1.00 0.00 C ATOM 2047 O ASP A 132 -2.002 -19.565 2.691 1.00 0.00 O ATOM 2048 CB ASP A 132 -1.886 -18.065 5.249 1.00 0.00 C ATOM 2049 CG ASP A 132 -1.475 -17.289 6.486 1.00 0.00 C ATOM 2050 OD1 ASP A 132 -1.220 -16.073 6.365 1.00 0.00 O ATOM 2051 OD2 ASP A 132 -1.409 -17.899 7.574 1.00 0.00 O ATOM 0 H ASP A 132 -0.860 -17.067 2.823 1.00 0.00 H new ATOM 0 HA ASP A 132 0.132 -18.767 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -2.576 -17.462 4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -2.425 -18.964 5.550 1.00 0.00 H new ATOM 2056 N PRO A 133 -0.306 -20.734 3.602 1.00 0.00 N ATOM 2057 CA PRO A 133 -0.537 -21.943 2.806 1.00 0.00 C ATOM 2058 C PRO A 133 -1.822 -22.662 3.204 1.00 0.00 C ATOM 2059 O PRO A 133 -2.179 -22.742 4.379 1.00 0.00 O ATOM 2060 CB PRO A 133 0.681 -22.814 3.121 1.00 0.00 C ATOM 2061 CG PRO A 133 1.138 -22.356 4.463 1.00 0.00 C ATOM 2062 CD PRO A 133 0.832 -20.885 4.525 1.00 0.00 C ATOM 0 HA PRO A 133 -0.654 -21.717 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.419 -23.872 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 133 1.463 -22.687 2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 133 0.621 -22.896 5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 133 2.204 -22.539 4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 133 0.574 -20.571 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.686 -20.283 4.212 1.00 0.00 H new ATOM 2070 N PRO A 134 -2.535 -23.198 2.202 1.00 0.00 N ATOM 2071 CA PRO A 134 -3.792 -23.921 2.423 1.00 0.00 C ATOM 2072 C PRO A 134 -3.575 -25.261 3.117 1.00 0.00 C ATOM 2073 O PRO A 134 -2.696 -26.034 2.735 1.00 0.00 O ATOM 2074 CB PRO A 134 -4.333 -24.133 1.007 1.00 0.00 C ATOM 2075 CG PRO A 134 -3.127 -24.106 0.133 1.00 0.00 C ATOM 2076 CD PRO A 134 -2.170 -23.141 0.777 1.00 0.00 C ATOM 0 HA PRO A 134 -4.470 -23.370 3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -4.862 -25.083 0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -5.039 -23.350 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -2.683 -25.098 0.049 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -3.384 -23.786 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -1.133 -23.436 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -2.282 -22.135 0.374 1.00 0.00 H new