USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 32 SER OG : rot 180:sc= -0.015 USER MOD Set 1.2: B 36 LYS NZ :NH3+ 178:sc= 0.547 (180deg=0.556) USER MOD Set 2.1: A 32 SER OG : rot 180:sc=-0.00993 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 175:sc= 0.557 (180deg=0.55) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0.235 (180deg=0.163) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 29 TYR OH : rot 150:sc= -0.107 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 2.25 (180deg=2.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0.116 USER MOD Single : A 46 SER OG : rot -84:sc= 1.22 USER MOD Single : A 48 ASN : amide:sc= -1.4! X(o=-1.4!,f=-1.3) USER MOD Single : A 51 MET CE :methyl 151:sc= -1.37 (180deg=-2.81) USER MOD Single : A 53 CYS SG : rot 83:sc= 1.19 USER MOD Single : A 55 SER OG : rot 180:sc= -0.294 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -70:sc= 0.991 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 84 ASN : amide:sc= -1.93 K(o=-1.9,f=-4!) USER MOD Single : A 85 SER OG : rot 64:sc= 0.79 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 172:sc= 0.16 (180deg=0.0927) USER MOD Single : B 28 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 29 TYR OH : rot 130:sc= -0.0671 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 171:sc= 2.27 (180deg=2.12) USER MOD Single : B 40 SER OG : rot 180:sc= 0.124 USER MOD Single : B 46 SER OG : rot -95:sc= 1.16 USER MOD Single : B 48 ASN : amide:sc= -1.38! X(o=-1.4!,f=-1.3) USER MOD Single : B 51 MET CE :methyl 149:sc= -1.39 (180deg=-2.84) USER MOD Single : B 53 CYS SG : rot 82:sc= 1.2 USER MOD Single : B 55 SER OG : rot 180:sc= -0.3 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -72:sc= 0.983 USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : B 84 ASN : amide:sc= -1.96 K(o=-2,f=-4.2!) USER MOD Single : B 85 SER OG : rot 65:sc= 0.8 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.170 -8.651 7.325 1.00 0.93 N ATOM 49 CA ALA A 17 -7.046 -7.784 7.006 1.00 0.81 C ATOM 50 C ALA A 17 -5.770 -8.273 7.666 1.00 0.69 C ATOM 51 O ALA A 17 -5.148 -7.556 8.450 1.00 0.70 O ATOM 52 CB ALA A 17 -7.334 -6.343 7.394 1.00 1.09 C ATOM 0 HA ALA A 17 -6.902 -7.820 5.926 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.475 -5.720 7.143 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.210 -5.988 6.852 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.523 -6.286 8.466 1.00 1.09 H new ATOM 58 N SER A 18 -5.382 -9.498 7.347 1.00 0.64 N ATOM 59 CA SER A 18 -4.141 -10.044 7.853 1.00 0.61 C ATOM 60 C SER A 18 -2.981 -9.246 7.273 1.00 0.50 C ATOM 61 O SER A 18 -3.070 -8.771 6.140 1.00 0.45 O ATOM 62 CB SER A 18 -4.021 -11.532 7.498 1.00 0.66 C ATOM 63 OG SER A 18 -2.830 -12.101 8.019 1.00 1.32 O ATOM 0 H SER A 18 -5.909 -10.128 6.742 1.00 0.64 H new ATOM 0 HA SER A 18 -4.121 -9.967 8.940 1.00 0.61 H new ATOM 0 HB2 SER A 18 -4.884 -12.071 7.890 1.00 0.66 H new ATOM 0 HB3 SER A 18 -4.037 -11.650 6.415 1.00 0.66 H new ATOM 0 HG SER A 18 -2.787 -13.049 7.776 1.00 1.32 H new ATOM 69 N LYS A 19 -1.921 -9.072 8.043 1.00 0.50 N ATOM 70 CA LYS A 19 -0.852 -8.147 7.674 1.00 0.43 C ATOM 71 C LYS A 19 -0.315 -8.447 6.271 1.00 0.34 C ATOM 72 O LYS A 19 -0.119 -7.533 5.461 1.00 0.28 O ATOM 73 CB LYS A 19 0.267 -8.206 8.716 1.00 0.54 C ATOM 74 CG LYS A 19 -0.250 -8.127 10.145 1.00 0.84 C ATOM 75 CD LYS A 19 0.875 -8.138 11.165 1.00 1.12 C ATOM 76 CE LYS A 19 0.360 -8.486 12.557 1.00 1.73 C ATOM 77 NZ LYS A 19 -0.721 -7.569 13.015 1.00 2.10 N ATOM 0 H LYS A 19 -1.773 -9.557 8.928 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.260 -7.136 7.653 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.827 -9.132 8.588 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.963 -7.386 8.541 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.839 -7.218 10.266 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -0.918 -8.967 10.335 1.00 0.84 H new ATOM 0 HD2 LYS A 19 1.633 -8.861 10.865 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.357 -7.161 11.188 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.014 -9.510 12.556 1.00 1.73 H new ATOM 0 HE3 LYS A 19 1.187 -8.449 13.266 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 -1.105 -7.909 13.920 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.334 -6.612 13.141 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -1.480 -7.545 12.304 1.00 2.10 H new ATOM 91 N GLU A 20 -0.130 -9.731 5.978 1.00 0.41 N ATOM 92 CA GLU A 20 0.384 -10.162 4.681 1.00 0.41 C ATOM 93 C GLU A 20 -0.607 -9.857 3.553 1.00 0.34 C ATOM 94 O GLU A 20 -0.200 -9.601 2.422 1.00 0.30 O ATOM 95 CB GLU A 20 0.703 -11.661 4.706 1.00 0.57 C ATOM 96 CG GLU A 20 -0.519 -12.541 4.926 1.00 0.64 C ATOM 97 CD GLU A 20 -0.181 -14.015 4.975 1.00 0.95 C ATOM 98 OE1 GLU A 20 0.231 -14.570 3.937 1.00 1.49 O ATOM 99 OE2 GLU A 20 -0.353 -14.634 6.045 1.00 1.57 O ATOM 0 H GLU A 20 -0.329 -10.495 6.624 1.00 0.41 H new ATOM 0 HA GLU A 20 1.299 -9.602 4.486 1.00 0.41 H new ATOM 0 HB2 GLU A 20 1.176 -11.939 3.764 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.428 -11.856 5.496 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.005 -12.253 5.859 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.237 -12.364 4.125 1.00 0.64 H new ATOM 106 N GLU A 21 -1.901 -9.871 3.869 1.00 0.37 N ATOM 107 CA GLU A 21 -2.943 -9.623 2.873 1.00 0.39 C ATOM 108 C GLU A 21 -2.915 -8.173 2.419 1.00 0.32 C ATOM 109 O GLU A 21 -3.144 -7.867 1.249 1.00 0.34 O ATOM 110 CB GLU A 21 -4.326 -9.942 3.440 1.00 0.50 C ATOM 111 CG GLU A 21 -4.532 -11.402 3.797 1.00 0.61 C ATOM 112 CD GLU A 21 -5.936 -11.681 4.299 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.353 -11.062 5.302 1.00 1.54 O ATOM 114 OE2 GLU A 21 -6.639 -12.513 3.684 1.00 1.49 O ATOM 0 H GLU A 21 -2.254 -10.052 4.809 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.746 -10.274 2.021 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.489 -9.336 4.331 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.081 -9.648 2.711 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.333 -12.019 2.921 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.811 -11.692 4.562 1.00 0.61 H new ATOM 121 N ILE A 22 -2.638 -7.283 3.358 1.00 0.30 N ATOM 122 CA ILE A 22 -2.537 -5.867 3.057 1.00 0.28 C ATOM 123 C ILE A 22 -1.315 -5.611 2.192 1.00 0.24 C ATOM 124 O ILE A 22 -1.402 -4.978 1.138 1.00 0.26 O ATOM 125 CB ILE A 22 -2.434 -5.030 4.344 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.616 -5.346 5.265 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.390 -3.543 4.003 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.436 -4.844 6.679 1.00 0.44 C ATOM 0 H ILE A 22 -2.479 -7.519 4.338 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.440 -5.571 2.523 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.512 -5.285 4.866 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.520 -4.906 4.845 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.768 -6.425 5.289 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.317 -2.961 4.922 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.523 -3.339 3.375 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.299 -3.265 3.469 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.313 -5.105 7.272 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.551 -5.304 7.118 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.314 -3.761 6.668 1.00 0.44 H new ATOM 135 N ALA A 23 -0.179 -6.136 2.638 1.00 0.20 N ATOM 136 CA ALA A 23 1.070 -6.005 1.905 1.00 0.19 C ATOM 137 C ALA A 23 0.955 -6.635 0.525 1.00 0.20 C ATOM 138 O ALA A 23 1.610 -6.202 -0.420 1.00 0.20 O ATOM 139 CB ALA A 23 2.207 -6.640 2.684 1.00 0.20 C ATOM 0 H ALA A 23 -0.100 -6.659 3.510 1.00 0.20 H new ATOM 0 HA ALA A 23 1.283 -4.944 1.778 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.136 -6.534 2.123 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.308 -6.144 3.650 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.995 -7.698 2.839 1.00 0.20 H new ATOM 145 N ALA A 24 0.109 -7.655 0.425 1.00 0.22 N ATOM 146 CA ALA A 24 -0.158 -8.321 -0.839 1.00 0.25 C ATOM 147 C ALA A 24 -0.633 -7.324 -1.891 1.00 0.24 C ATOM 148 O ALA A 24 -0.088 -7.261 -2.991 1.00 0.25 O ATOM 149 CB ALA A 24 -1.190 -9.419 -0.640 1.00 0.31 C ATOM 0 H ALA A 24 -0.408 -8.040 1.216 1.00 0.22 H new ATOM 0 HA ALA A 24 0.769 -8.769 -1.196 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -1.384 -9.913 -1.592 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.812 -10.148 0.076 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -2.115 -8.984 -0.261 1.00 0.31 H new ATOM 155 N LEU A 25 -1.639 -6.531 -1.546 1.00 0.23 N ATOM 156 CA LEU A 25 -2.142 -5.511 -2.459 1.00 0.23 C ATOM 157 C LEU A 25 -1.123 -4.396 -2.642 1.00 0.22 C ATOM 158 O LEU A 25 -0.999 -3.829 -3.728 1.00 0.25 O ATOM 159 CB LEU A 25 -3.455 -4.918 -1.953 1.00 0.26 C ATOM 160 CG LEU A 25 -4.683 -5.814 -2.091 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.905 -5.106 -1.533 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.907 -6.193 -3.549 1.00 0.44 C ATOM 0 H LEU A 25 -2.120 -6.573 -0.648 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.320 -5.995 -3.419 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.334 -4.659 -0.901 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.644 -3.989 -2.491 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.515 -6.729 -1.523 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.778 -5.751 -1.635 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.744 -4.877 -0.480 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -6.072 -4.180 -2.084 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.787 -6.832 -3.628 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.060 -5.290 -4.140 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -4.035 -6.729 -3.924 1.00 0.44 H new ATOM 174 N ILE A 26 -0.394 -4.090 -1.577 1.00 0.21 N ATOM 175 CA ILE A 26 0.616 -3.043 -1.615 1.00 0.22 C ATOM 176 C ILE A 26 1.692 -3.359 -2.656 1.00 0.20 C ATOM 177 O ILE A 26 1.978 -2.537 -3.532 1.00 0.23 O ATOM 178 CB ILE A 26 1.267 -2.836 -0.229 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.214 -2.380 0.792 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.402 -1.825 -0.316 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.769 -2.141 2.181 1.00 0.27 C ATOM 0 H ILE A 26 -0.485 -4.554 -0.673 1.00 0.21 H new ATOM 0 HA ILE A 26 0.113 -2.118 -1.898 1.00 0.22 H new ATOM 0 HB ILE A 26 1.683 -3.787 0.104 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.251 -1.461 0.434 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.572 -3.133 0.850 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.848 -1.693 0.670 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.159 -2.187 -1.011 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.012 -0.870 -0.669 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.035 -1.822 2.844 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.208 -3.063 2.561 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.534 -1.366 2.139 1.00 0.27 H new ATOM 188 N VAL A 27 2.266 -4.557 -2.581 1.00 0.18 N ATOM 189 CA VAL A 27 3.295 -4.962 -3.532 1.00 0.20 C ATOM 190 C VAL A 27 2.692 -5.203 -4.913 1.00 0.22 C ATOM 191 O VAL A 27 3.351 -4.991 -5.931 1.00 0.24 O ATOM 192 CB VAL A 27 4.067 -6.223 -3.070 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.769 -5.963 -1.748 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.149 -7.430 -2.957 1.00 0.21 C ATOM 0 H VAL A 27 2.038 -5.259 -1.877 1.00 0.18 H new ATOM 0 HA VAL A 27 4.008 -4.140 -3.586 1.00 0.20 H new ATOM 0 HB VAL A 27 4.818 -6.448 -3.828 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.306 -6.860 -1.439 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.474 -5.140 -1.866 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.031 -5.702 -0.989 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.725 -8.296 -2.631 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.363 -7.223 -2.231 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.700 -7.638 -3.928 1.00 0.21 H new ATOM 198 N ASN A 28 1.430 -5.628 -4.943 1.00 0.26 N ATOM 199 CA ASN A 28 0.718 -5.829 -6.202 1.00 0.32 C ATOM 200 C ASN A 28 0.607 -4.508 -6.953 1.00 0.27 C ATOM 201 O ASN A 28 0.801 -4.450 -8.166 1.00 0.29 O ATOM 202 CB ASN A 28 -0.679 -6.406 -5.948 1.00 0.45 C ATOM 203 CG ASN A 28 -1.431 -6.720 -7.231 1.00 0.68 C ATOM 204 OD1 ASN A 28 -0.837 -7.088 -8.246 1.00 1.59 O ATOM 205 ND2 ASN A 28 -2.749 -6.584 -7.193 1.00 0.86 N ATOM 0 H ASN A 28 0.881 -5.839 -4.110 1.00 0.26 H new ATOM 0 HA ASN A 28 1.280 -6.540 -6.807 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.589 -7.315 -5.354 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.258 -5.696 -5.358 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -3.307 -6.786 -8.023 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -3.205 -6.277 -6.334 1.00 0.86 H new ATOM 212 N TYR A 29 0.311 -3.441 -6.215 1.00 0.25 N ATOM 213 CA TYR A 29 0.224 -2.112 -6.799 1.00 0.24 C ATOM 214 C TYR A 29 1.576 -1.675 -7.350 1.00 0.19 C ATOM 215 O TYR A 29 1.667 -1.221 -8.490 1.00 0.19 O ATOM 216 CB TYR A 29 -0.272 -1.092 -5.771 1.00 0.29 C ATOM 217 CG TYR A 29 -0.219 0.333 -6.276 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.016 0.742 -7.337 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.643 1.260 -5.708 1.00 1.20 C ATOM 220 CE1 TYR A 29 -0.958 2.036 -7.814 1.00 1.25 C ATOM 221 CE2 TYR A 29 0.708 2.557 -6.181 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.094 2.938 -7.234 1.00 0.43 C ATOM 223 OH TYR A 29 -0.029 4.227 -7.712 1.00 0.50 O ATOM 0 H TYR A 29 0.128 -3.474 -5.212 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.493 -2.157 -7.618 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.298 -1.335 -5.493 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.331 -1.173 -4.867 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.692 0.036 -7.796 1.00 1.23 H new ATOM 0 HD2 TYR A 29 1.273 0.963 -4.883 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -1.587 2.340 -8.638 1.00 1.25 H new ATOM 0 HE2 TYR A 29 1.383 3.267 -5.728 1.00 1.22 H new ATOM 0 HH TYR A 29 0.214 4.835 -6.982 1.00 0.50 H new ATOM 233 N PHE A 30 2.622 -1.821 -6.543 1.00 0.16 N ATOM 234 CA PHE A 30 3.966 -1.441 -6.965 1.00 0.16 C ATOM 235 C PHE A 30 4.389 -2.227 -8.200 1.00 0.18 C ATOM 236 O PHE A 30 4.984 -1.672 -9.127 1.00 0.21 O ATOM 237 CB PHE A 30 4.979 -1.653 -5.838 1.00 0.19 C ATOM 238 CG PHE A 30 4.844 -0.685 -4.695 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.624 0.663 -4.928 1.00 1.19 C ATOM 240 CD2 PHE A 30 4.947 -1.124 -3.385 1.00 1.18 C ATOM 241 CE1 PHE A 30 4.508 1.553 -3.880 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.835 -0.236 -2.331 1.00 1.17 C ATOM 243 CZ PHE A 30 4.615 1.104 -2.580 1.00 0.25 C ATOM 0 H PHE A 30 2.566 -2.198 -5.597 1.00 0.16 H new ATOM 0 HA PHE A 30 3.945 -0.380 -7.215 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.871 -2.668 -5.454 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.985 -1.573 -6.250 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.542 1.022 -5.943 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.117 -2.172 -3.185 1.00 1.18 H new ATOM 0 HE1 PHE A 30 4.334 2.600 -4.077 1.00 1.22 H new ATOM 0 HE2 PHE A 30 4.920 -0.590 -1.314 1.00 1.17 H new ATOM 0 HZ PHE A 30 4.527 1.800 -1.758 1.00 0.25 H new ATOM 253 N SER A 31 4.065 -3.513 -8.220 1.00 0.21 N ATOM 254 CA SER A 31 4.373 -4.354 -9.365 1.00 0.27 C ATOM 255 C SER A 31 3.560 -3.906 -10.579 1.00 0.25 C ATOM 256 O SER A 31 4.044 -3.941 -11.703 1.00 0.27 O ATOM 257 CB SER A 31 4.098 -5.827 -9.044 1.00 0.35 C ATOM 258 OG SER A 31 4.619 -6.682 -10.049 1.00 1.15 O ATOM 0 H SER A 31 3.590 -3.994 -7.457 1.00 0.21 H new ATOM 0 HA SER A 31 5.433 -4.251 -9.598 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.543 -6.080 -8.082 1.00 0.35 H new ATOM 0 HB3 SER A 31 3.024 -5.986 -8.950 1.00 0.35 H new ATOM 0 HG SER A 31 4.429 -7.615 -9.816 1.00 1.15 H new ATOM 264 N SER A 32 2.330 -3.460 -10.341 1.00 0.27 N ATOM 265 CA SER A 32 1.470 -2.969 -11.411 1.00 0.30 C ATOM 266 C SER A 32 2.063 -1.707 -12.041 1.00 0.28 C ATOM 267 O SER A 32 1.900 -1.460 -13.239 1.00 0.35 O ATOM 268 CB SER A 32 0.063 -2.686 -10.869 1.00 0.40 C ATOM 269 OG SER A 32 -0.826 -2.286 -11.901 1.00 0.99 O ATOM 0 H SER A 32 1.906 -3.429 -9.414 1.00 0.27 H new ATOM 0 HA SER A 32 1.401 -3.736 -12.182 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.325 -3.579 -10.380 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.115 -1.905 -10.111 1.00 0.40 H new ATOM 0 HG SER A 32 -1.713 -2.115 -11.521 1.00 0.99 H new ATOM 275 N ILE A 33 2.761 -0.918 -11.229 1.00 0.24 N ATOM 276 CA ILE A 33 3.400 0.302 -11.709 1.00 0.26 C ATOM 277 C ILE A 33 4.471 -0.026 -12.746 1.00 0.26 C ATOM 278 O ILE A 33 4.495 0.552 -13.833 1.00 0.31 O ATOM 279 CB ILE A 33 4.048 1.102 -10.557 1.00 0.30 C ATOM 280 CG1 ILE A 33 3.018 1.430 -9.475 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.673 2.383 -11.085 1.00 0.43 C ATOM 282 CD1 ILE A 33 3.598 2.206 -8.312 1.00 0.34 C ATOM 0 H ILE A 33 2.898 -1.102 -10.235 1.00 0.24 H new ATOM 0 HA ILE A 33 2.619 0.913 -12.161 1.00 0.26 H new ATOM 0 HB ILE A 33 4.829 0.484 -10.115 1.00 0.30 H new ATOM 0 HG12 ILE A 33 2.206 2.006 -9.919 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.584 0.502 -9.103 1.00 0.30 H new ATOM 0 HG21 ILE A 33 5.125 2.934 -10.260 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.439 2.138 -11.820 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.904 2.997 -11.553 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.815 2.406 -7.581 1.00 0.34 H new ATOM 0 HD12 ILE A 33 4.391 1.622 -7.844 1.00 0.34 H new ATOM 0 HD13 ILE A 33 4.007 3.150 -8.672 1.00 0.34 H new ATOM 289 N VAL A 34 5.347 -0.965 -12.415 1.00 0.24 N ATOM 290 CA VAL A 34 6.422 -1.351 -13.322 1.00 0.31 C ATOM 291 C VAL A 34 5.896 -2.262 -14.431 1.00 0.37 C ATOM 292 O VAL A 34 6.471 -2.328 -15.518 1.00 0.47 O ATOM 293 CB VAL A 34 7.591 -2.042 -12.579 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.227 -1.086 -11.581 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.130 -3.310 -11.876 1.00 0.33 C ATOM 0 H VAL A 34 5.336 -1.472 -11.530 1.00 0.24 H new ATOM 0 HA VAL A 34 6.807 -0.433 -13.766 1.00 0.31 H new ATOM 0 HB VAL A 34 8.337 -2.323 -13.322 1.00 0.34 H new ATOM 0 HG11 VAL A 34 9.047 -1.588 -11.068 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.610 -0.212 -12.108 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.480 -0.772 -10.852 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.975 -3.770 -11.364 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.357 -3.062 -11.149 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.727 -4.007 -12.611 1.00 0.33 H new ATOM 299 N GLU A 35 4.781 -2.935 -14.152 1.00 0.35 N ATOM 300 CA GLU A 35 4.136 -3.825 -15.113 1.00 0.46 C ATOM 301 C GLU A 35 3.750 -3.071 -16.383 1.00 0.50 C ATOM 302 O GLU A 35 3.877 -3.591 -17.489 1.00 0.61 O ATOM 303 CB GLU A 35 2.893 -4.451 -14.477 1.00 0.50 C ATOM 304 CG GLU A 35 2.190 -5.480 -15.345 1.00 0.70 C ATOM 305 CD GLU A 35 0.932 -6.015 -14.695 1.00 1.49 C ATOM 306 OE1 GLU A 35 1.023 -6.966 -13.888 1.00 2.22 O ATOM 307 OE2 GLU A 35 -0.163 -5.485 -14.985 1.00 2.19 O ATOM 0 H GLU A 35 4.300 -2.878 -13.254 1.00 0.35 H new ATOM 0 HA GLU A 35 4.841 -4.610 -15.387 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.180 -4.923 -13.537 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.187 -3.657 -14.233 1.00 0.50 H new ATOM 0 HG2 GLU A 35 1.937 -5.031 -16.305 1.00 0.70 H new ATOM 0 HG3 GLU A 35 2.871 -6.306 -15.549 1.00 0.70 H new ATOM 314 N LYS A 36 3.283 -1.840 -16.214 1.00 0.47 N ATOM 315 CA LYS A 36 2.885 -1.013 -17.347 1.00 0.54 C ATOM 316 C LYS A 36 3.960 0.020 -17.672 1.00 0.50 C ATOM 317 O LYS A 36 3.795 0.846 -18.572 1.00 0.60 O ATOM 318 CB LYS A 36 1.563 -0.302 -17.050 1.00 0.67 C ATOM 319 CG LYS A 36 1.636 0.634 -15.853 1.00 0.71 C ATOM 320 CD LYS A 36 0.333 1.389 -15.637 1.00 0.97 C ATOM 321 CE LYS A 36 -0.805 0.458 -15.257 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.525 -0.279 -13.998 1.00 2.08 N ATOM 0 H LYS A 36 3.171 -1.392 -15.304 1.00 0.47 H new ATOM 0 HA LYS A 36 2.756 -1.667 -18.210 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.260 0.267 -17.929 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.789 -1.049 -16.871 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.874 0.059 -14.958 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.448 1.347 -16.000 1.00 0.71 H new ATOM 0 HD2 LYS A 36 0.470 2.133 -14.853 1.00 0.97 H new ATOM 0 HD3 LYS A 36 0.071 1.929 -16.547 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -1.723 1.035 -15.143 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -0.975 -0.255 -16.064 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.360 -0.838 -13.730 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 0.286 -0.914 -14.141 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -0.305 0.399 -13.241 1.00 2.08 H new ATOM 336 N LYS A 37 5.062 -0.052 -16.926 1.00 0.47 N ATOM 337 CA LYS A 37 6.145 0.926 -17.005 1.00 0.54 C ATOM 338 C LYS A 37 5.598 2.340 -16.810 1.00 0.59 C ATOM 339 O LYS A 37 5.752 3.216 -17.661 1.00 0.75 O ATOM 340 CB LYS A 37 6.909 0.804 -18.331 1.00 0.71 C ATOM 341 CG LYS A 37 8.224 1.572 -18.358 1.00 1.18 C ATOM 342 CD LYS A 37 9.152 1.135 -17.232 1.00 1.41 C ATOM 343 CE LYS A 37 10.514 1.807 -17.321 1.00 1.98 C ATOM 344 NZ LYS A 37 10.435 3.287 -17.174 1.00 2.60 N ATOM 0 H LYS A 37 5.229 -0.794 -16.247 1.00 0.47 H new ATOM 0 HA LYS A 37 6.853 0.718 -16.202 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.110 -0.249 -18.528 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.273 1.163 -19.140 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.717 1.417 -19.318 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.024 2.640 -18.272 1.00 1.18 H new ATOM 0 HD2 LYS A 37 8.693 1.372 -16.272 1.00 1.41 H new ATOM 0 HD3 LYS A 37 9.279 0.053 -17.266 1.00 1.41 H new ATOM 0 HE2 LYS A 37 11.165 1.403 -16.546 1.00 1.98 H new ATOM 0 HE3 LYS A 37 10.972 1.565 -18.280 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 11.394 3.679 -17.089 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 9.967 3.694 -18.009 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 9.888 3.522 -16.321 1.00 2.60 H new ATOM 358 N GLU A 38 4.955 2.546 -15.674 1.00 0.54 N ATOM 359 CA GLU A 38 4.352 3.826 -15.343 1.00 0.68 C ATOM 360 C GLU A 38 5.406 4.732 -14.739 1.00 0.69 C ATOM 361 O GLU A 38 5.403 5.950 -14.925 1.00 1.03 O ATOM 362 CB GLU A 38 3.215 3.608 -14.340 1.00 0.79 C ATOM 363 CG GLU A 38 2.560 4.886 -13.851 1.00 1.36 C ATOM 364 CD GLU A 38 1.626 5.489 -14.873 1.00 1.41 C ATOM 365 OE1 GLU A 38 2.106 6.131 -15.823 1.00 2.12 O ATOM 366 OE2 GLU A 38 0.400 5.332 -14.715 1.00 1.86 O ATOM 0 H GLU A 38 4.836 1.832 -14.956 1.00 0.54 H new ATOM 0 HA GLU A 38 3.950 4.290 -16.244 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.455 2.978 -14.802 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.604 3.061 -13.481 1.00 0.79 H new ATOM 0 HG2 GLU A 38 2.006 4.678 -12.936 1.00 1.36 H new ATOM 0 HG3 GLU A 38 3.333 5.612 -13.598 1.00 1.36 H new ATOM 373 N ILE A 39 6.324 4.107 -14.034 1.00 0.42 N ATOM 374 CA ILE A 39 7.327 4.825 -13.275 1.00 0.43 C ATOM 375 C ILE A 39 8.675 4.790 -13.996 1.00 0.48 C ATOM 376 O ILE A 39 8.941 3.886 -14.796 1.00 0.51 O ATOM 377 CB ILE A 39 7.449 4.221 -11.861 1.00 0.38 C ATOM 378 CG1 ILE A 39 8.176 5.176 -10.921 1.00 0.45 C ATOM 379 CG2 ILE A 39 8.153 2.871 -11.906 1.00 0.36 C ATOM 380 CD1 ILE A 39 8.088 4.762 -9.471 1.00 0.47 C ATOM 0 H ILE A 39 6.397 3.092 -13.970 1.00 0.42 H new ATOM 0 HA ILE A 39 7.020 5.867 -13.185 1.00 0.43 H new ATOM 0 HB ILE A 39 6.441 4.067 -11.475 1.00 0.38 H new ATOM 0 HG12 ILE A 39 9.225 5.235 -11.213 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.757 6.176 -11.033 1.00 0.45 H new ATOM 0 HG21 ILE A 39 8.227 2.465 -10.897 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.583 2.184 -12.532 1.00 0.36 H new ATOM 0 HG23 ILE A 39 9.153 2.996 -12.321 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.625 5.482 -8.854 1.00 0.47 H new ATOM 0 HD12 ILE A 39 7.042 4.730 -9.165 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.533 3.775 -9.347 1.00 0.47 H new ATOM 387 N SER A 40 9.514 5.780 -13.718 1.00 0.54 N ATOM 388 CA SER A 40 10.803 5.889 -14.371 1.00 0.62 C ATOM 389 C SER A 40 11.825 4.969 -13.703 1.00 0.53 C ATOM 390 O SER A 40 11.508 4.283 -12.729 1.00 0.48 O ATOM 391 CB SER A 40 11.285 7.344 -14.354 1.00 0.76 C ATOM 392 OG SER A 40 12.444 7.515 -15.155 1.00 1.82 O ATOM 0 H SER A 40 9.320 6.519 -13.042 1.00 0.54 H new ATOM 0 HA SER A 40 10.695 5.575 -15.409 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.491 7.996 -14.717 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.502 7.645 -13.329 1.00 0.76 H new ATOM 0 HG SER A 40 12.726 8.453 -15.126 1.00 1.82 H new ATOM 398 N GLU A 41 13.042 4.975 -14.224 1.00 0.59 N ATOM 399 CA GLU A 41 14.076 4.031 -13.813 1.00 0.60 C ATOM 400 C GLU A 41 14.372 4.132 -12.318 1.00 0.49 C ATOM 401 O GLU A 41 14.358 3.123 -11.612 1.00 0.46 O ATOM 402 CB GLU A 41 15.353 4.275 -14.617 1.00 0.78 C ATOM 403 CG GLU A 41 15.114 4.387 -16.116 1.00 1.07 C ATOM 404 CD GLU A 41 14.325 3.221 -16.677 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.858 2.093 -16.706 1.00 1.99 O ATOM 406 OE2 GLU A 41 13.167 3.428 -17.096 1.00 2.19 O ATOM 0 H GLU A 41 13.343 5.633 -14.943 1.00 0.59 H new ATOM 0 HA GLU A 41 13.706 3.025 -14.010 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.826 5.191 -14.263 1.00 0.78 H new ATOM 0 HB3 GLU A 41 16.053 3.461 -14.428 1.00 0.78 H new ATOM 0 HG2 GLU A 41 14.580 5.314 -16.325 1.00 1.07 H new ATOM 0 HG3 GLU A 41 16.074 4.449 -16.628 1.00 1.07 H new ATOM 413 N ASP A 42 14.616 5.351 -11.843 1.00 0.52 N ATOM 414 CA ASP A 42 14.935 5.579 -10.433 1.00 0.52 C ATOM 415 C ASP A 42 13.839 5.032 -9.531 1.00 0.43 C ATOM 416 O ASP A 42 14.112 4.321 -8.563 1.00 0.47 O ATOM 417 CB ASP A 42 15.128 7.072 -10.157 1.00 0.62 C ATOM 418 CG ASP A 42 15.352 7.368 -8.685 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.496 7.217 -8.207 1.00 2.21 O ATOM 420 OD2 ASP A 42 14.387 7.770 -7.999 1.00 2.30 O ATOM 0 H ASP A 42 14.599 6.197 -12.413 1.00 0.52 H new ATOM 0 HA ASP A 42 15.864 5.053 -10.215 1.00 0.52 H new ATOM 0 HB2 ASP A 42 15.980 7.437 -10.731 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.251 7.619 -10.505 1.00 0.62 H new ATOM 425 N GLY A 43 12.599 5.356 -9.864 1.00 0.39 N ATOM 426 CA GLY A 43 11.475 4.894 -9.080 1.00 0.37 C ATOM 427 C GLY A 43 11.317 3.388 -9.135 1.00 0.34 C ATOM 428 O GLY A 43 11.088 2.748 -8.114 1.00 0.35 O ATOM 0 H GLY A 43 12.351 5.934 -10.667 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.605 5.206 -8.044 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.562 5.367 -9.443 1.00 0.37 H new ATOM 432 N ALA A 44 11.455 2.823 -10.326 1.00 0.33 N ATOM 433 CA ALA A 44 11.325 1.384 -10.508 1.00 0.33 C ATOM 434 C ALA A 44 12.385 0.638 -9.707 1.00 0.32 C ATOM 435 O ALA A 44 12.085 -0.323 -9.000 1.00 0.31 O ATOM 436 CB ALA A 44 11.427 1.020 -11.983 1.00 0.38 C ATOM 0 H ALA A 44 11.657 3.340 -11.182 1.00 0.33 H new ATOM 0 HA ALA A 44 10.343 1.085 -10.141 1.00 0.33 H new ATOM 0 HB1 ALA A 44 11.328 -0.059 -12.099 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.632 1.519 -12.537 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.395 1.339 -12.370 1.00 0.38 H new ATOM 442 N ASP A 45 13.622 1.107 -9.805 1.00 0.36 N ATOM 443 CA ASP A 45 14.744 0.465 -9.131 1.00 0.38 C ATOM 444 C ASP A 45 14.624 0.585 -7.615 1.00 0.36 C ATOM 445 O ASP A 45 14.920 -0.363 -6.885 1.00 0.37 O ATOM 446 CB ASP A 45 16.066 1.071 -9.601 1.00 0.48 C ATOM 447 CG ASP A 45 17.266 0.388 -8.980 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.598 -0.740 -9.407 1.00 1.81 O ATOM 449 OD2 ASP A 45 17.890 0.978 -8.074 1.00 1.84 O ATOM 0 H ASP A 45 13.875 1.933 -10.347 1.00 0.36 H new ATOM 0 HA ASP A 45 14.725 -0.594 -9.390 1.00 0.38 H new ATOM 0 HB2 ASP A 45 16.131 0.998 -10.687 1.00 0.48 H new ATOM 0 HB3 ASP A 45 16.086 2.132 -9.352 1.00 0.48 H new ATOM 454 N SER A 46 14.179 1.739 -7.137 1.00 0.38 N ATOM 455 CA SER A 46 14.000 1.938 -5.707 1.00 0.41 C ATOM 456 C SER A 46 12.827 1.105 -5.189 1.00 0.36 C ATOM 457 O SER A 46 12.843 0.631 -4.054 1.00 0.39 O ATOM 458 CB SER A 46 13.815 3.424 -5.381 1.00 0.51 C ATOM 459 OG SER A 46 12.843 4.025 -6.216 1.00 0.98 O ATOM 0 H SER A 46 13.937 2.545 -7.714 1.00 0.38 H new ATOM 0 HA SER A 46 14.902 1.598 -5.198 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.517 3.534 -4.338 1.00 0.51 H new ATOM 0 HB3 SER A 46 14.766 3.943 -5.497 1.00 0.51 H new ATOM 0 HG SER A 46 13.258 4.290 -7.063 1.00 0.98 H new ATOM 465 N LEU A 47 11.819 0.902 -6.032 1.00 0.32 N ATOM 466 CA LEU A 47 10.710 0.019 -5.688 1.00 0.30 C ATOM 467 C LEU A 47 11.183 -1.427 -5.602 1.00 0.27 C ATOM 468 O LEU A 47 10.606 -2.232 -4.879 1.00 0.29 O ATOM 469 CB LEU A 47 9.570 0.129 -6.705 1.00 0.30 C ATOM 470 CG LEU A 47 8.778 1.437 -6.671 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.687 1.424 -7.731 1.00 0.39 C ATOM 472 CD2 LEU A 47 8.176 1.662 -5.291 1.00 0.41 C ATOM 0 H LEU A 47 11.747 1.334 -6.953 1.00 0.32 H new ATOM 0 HA LEU A 47 10.333 0.333 -4.714 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.986 0.003 -7.705 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.879 -0.698 -6.540 1.00 0.30 H new ATOM 0 HG LEU A 47 9.461 2.259 -6.886 1.00 0.35 H new ATOM 0 HD11 LEU A 47 7.132 2.362 -7.694 1.00 0.39 H new ATOM 0 HD12 LEU A 47 8.138 1.308 -8.716 1.00 0.39 H new ATOM 0 HD13 LEU A 47 7.007 0.593 -7.543 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.616 2.597 -5.286 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.506 0.837 -5.047 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.974 1.713 -4.550 1.00 0.41 H new ATOM 484 N ASN A 48 12.239 -1.748 -6.339 1.00 0.26 N ATOM 485 CA ASN A 48 12.791 -3.099 -6.335 1.00 0.26 C ATOM 486 C ASN A 48 13.423 -3.427 -4.989 1.00 0.28 C ATOM 487 O ASN A 48 13.150 -4.478 -4.411 1.00 0.32 O ATOM 488 CB ASN A 48 13.825 -3.272 -7.454 1.00 0.28 C ATOM 489 CG ASN A 48 13.199 -3.329 -8.838 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.776 -2.843 -9.813 1.00 0.48 O ATOM 491 ND2 ASN A 48 12.032 -3.947 -8.943 1.00 0.40 N ATOM 0 H ASN A 48 12.731 -1.093 -6.947 1.00 0.26 H new ATOM 0 HA ASN A 48 11.967 -3.791 -6.510 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.535 -2.446 -7.416 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.391 -4.187 -7.280 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.581 -4.033 -9.854 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.585 -4.337 -8.113 1.00 0.40 H new ATOM 498 N VAL A 49 14.267 -2.533 -4.483 1.00 0.27 N ATOM 499 CA VAL A 49 14.891 -2.748 -3.181 1.00 0.29 C ATOM 500 C VAL A 49 13.841 -2.665 -2.073 1.00 0.30 C ATOM 501 O VAL A 49 13.915 -3.383 -1.074 1.00 0.32 O ATOM 502 CB VAL A 49 16.048 -1.749 -2.907 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.557 -0.310 -2.891 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.756 -2.084 -1.601 1.00 0.36 C ATOM 0 H VAL A 49 14.532 -1.664 -4.947 1.00 0.27 H new ATOM 0 HA VAL A 49 15.328 -3.747 -3.192 1.00 0.29 H new ATOM 0 HB VAL A 49 16.761 -1.847 -3.725 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.396 0.358 -2.696 1.00 0.34 H new ATOM 0 HG12 VAL A 49 15.115 -0.066 -3.857 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.808 -0.190 -2.108 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.562 -1.371 -1.431 1.00 0.36 H new ATOM 0 HG22 VAL A 49 16.044 -2.031 -0.777 1.00 0.36 H new ATOM 0 HG23 VAL A 49 17.169 -3.091 -1.659 1.00 0.36 H new ATOM 508 N ALA A 50 12.847 -1.806 -2.271 1.00 0.30 N ATOM 509 CA ALA A 50 11.747 -1.680 -1.327 1.00 0.34 C ATOM 510 C ALA A 50 10.892 -2.942 -1.326 1.00 0.34 C ATOM 511 O ALA A 50 10.355 -3.334 -0.295 1.00 0.37 O ATOM 512 CB ALA A 50 10.895 -0.464 -1.664 1.00 0.37 C ATOM 0 H ALA A 50 12.782 -1.186 -3.079 1.00 0.30 H new ATOM 0 HA ALA A 50 12.165 -1.547 -0.329 1.00 0.34 H new ATOM 0 HB1 ALA A 50 10.076 -0.384 -0.949 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.509 0.435 -1.615 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.489 -0.572 -2.670 1.00 0.37 H new ATOM 518 N MET A 51 10.792 -3.576 -2.488 1.00 0.34 N ATOM 519 CA MET A 51 9.994 -4.786 -2.656 1.00 0.39 C ATOM 520 C MET A 51 10.462 -5.876 -1.703 1.00 0.31 C ATOM 521 O MET A 51 9.667 -6.440 -0.951 1.00 0.30 O ATOM 522 CB MET A 51 10.101 -5.283 -4.099 1.00 0.52 C ATOM 523 CG MET A 51 9.015 -6.269 -4.494 1.00 0.62 C ATOM 524 SD MET A 51 7.364 -5.557 -4.369 1.00 0.65 S ATOM 525 CE MET A 51 7.619 -3.978 -5.177 1.00 0.41 C ATOM 0 H MET A 51 11.261 -3.267 -3.340 1.00 0.34 H new ATOM 0 HA MET A 51 8.955 -4.548 -2.429 1.00 0.39 H new ATOM 0 HB2 MET A 51 10.062 -4.426 -4.772 1.00 0.52 H new ATOM 0 HB3 MET A 51 11.074 -5.754 -4.239 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.187 -6.604 -5.517 1.00 0.62 H new ATOM 0 HG3 MET A 51 9.077 -7.150 -3.855 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.687 -3.651 -5.638 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.938 -3.240 -4.441 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.387 -4.081 -5.944 1.00 0.41 H new ATOM 535 N ASP A 52 11.763 -6.145 -1.730 1.00 0.31 N ATOM 536 CA ASP A 52 12.360 -7.160 -0.867 1.00 0.32 C ATOM 537 C ASP A 52 12.226 -6.777 0.601 1.00 0.28 C ATOM 538 O ASP A 52 12.175 -7.639 1.476 1.00 0.30 O ATOM 539 CB ASP A 52 13.834 -7.375 -1.218 1.00 0.42 C ATOM 540 CG ASP A 52 14.017 -8.188 -2.483 1.00 1.16 C ATOM 541 OD1 ASP A 52 13.985 -9.434 -2.406 1.00 1.99 O ATOM 542 OD2 ASP A 52 14.195 -7.590 -3.565 1.00 1.84 O ATOM 0 H ASP A 52 12.427 -5.672 -2.343 1.00 0.31 H new ATOM 0 HA ASP A 52 11.821 -8.093 -1.033 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.320 -6.407 -1.339 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.331 -7.880 -0.390 1.00 0.42 H new ATOM 547 N CYS A 53 12.167 -5.480 0.866 1.00 0.27 N ATOM 548 CA CYS A 53 11.977 -4.989 2.222 1.00 0.27 C ATOM 549 C CYS A 53 10.563 -5.300 2.708 1.00 0.29 C ATOM 550 O CYS A 53 10.375 -5.781 3.822 1.00 0.36 O ATOM 551 CB CYS A 53 12.239 -3.483 2.286 1.00 0.36 C ATOM 552 SG CYS A 53 13.929 -3.007 1.848 1.00 1.05 S ATOM 0 H CYS A 53 12.248 -4.749 0.159 1.00 0.27 H new ATOM 0 HA CYS A 53 12.689 -5.494 2.875 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.545 -2.976 1.616 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.024 -3.130 3.295 1.00 0.36 H new ATOM 0 HG CYS A 53 14.039 -2.937 0.555 1.00 1.05 H new ATOM 558 N ILE A 54 9.577 -5.040 1.854 1.00 0.26 N ATOM 559 CA ILE A 54 8.178 -5.277 2.194 1.00 0.29 C ATOM 560 C ILE A 54 7.922 -6.765 2.416 1.00 0.30 C ATOM 561 O ILE A 54 7.335 -7.163 3.424 1.00 0.33 O ATOM 562 CB ILE A 54 7.229 -4.770 1.083 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.508 -3.300 0.759 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.774 -4.948 1.507 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.804 -2.805 -0.489 1.00 0.34 C ATOM 0 H ILE A 54 9.723 -4.663 0.917 1.00 0.26 H new ATOM 0 HA ILE A 54 7.976 -4.725 3.112 1.00 0.29 H new ATOM 0 HB ILE A 54 7.410 -5.360 0.185 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.201 -2.686 1.606 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.582 -3.162 0.638 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.118 -4.587 0.715 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.575 -6.004 1.690 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.589 -4.381 2.419 1.00 0.33 H new ATOM 0 HD11 ILE A 54 7.050 -1.756 -0.654 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.129 -3.393 -1.347 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.726 -2.910 -0.365 1.00 0.34 H new ATOM 572 N SER A 55 8.383 -7.581 1.479 1.00 0.30 N ATOM 573 CA SER A 55 8.150 -9.017 1.529 1.00 0.36 C ATOM 574 C SER A 55 8.784 -9.640 2.774 1.00 0.38 C ATOM 575 O SER A 55 8.125 -10.370 3.527 1.00 0.41 O ATOM 576 CB SER A 55 8.702 -9.665 0.257 1.00 0.40 C ATOM 577 OG SER A 55 10.048 -9.285 0.036 1.00 0.80 O ATOM 0 H SER A 55 8.923 -7.271 0.671 1.00 0.30 H new ATOM 0 HA SER A 55 7.076 -9.196 1.588 1.00 0.36 H new ATOM 0 HB2 SER A 55 8.636 -10.750 0.339 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.093 -9.372 -0.598 1.00 0.40 H new ATOM 0 HG SER A 55 10.379 -9.713 -0.781 1.00 0.80 H new ATOM 583 N GLU A 56 10.051 -9.315 3.008 1.00 0.39 N ATOM 584 CA GLU A 56 10.804 -9.880 4.120 1.00 0.48 C ATOM 585 C GLU A 56 10.269 -9.367 5.457 1.00 0.43 C ATOM 586 O GLU A 56 10.447 -10.003 6.499 1.00 0.46 O ATOM 587 CB GLU A 56 12.285 -9.526 3.973 1.00 0.60 C ATOM 588 CG GLU A 56 13.212 -10.375 4.826 1.00 0.83 C ATOM 589 CD GLU A 56 13.158 -11.838 4.448 1.00 1.81 C ATOM 590 OE1 GLU A 56 13.461 -12.168 3.281 1.00 2.38 O ATOM 591 OE2 GLU A 56 12.804 -12.665 5.313 1.00 2.66 O ATOM 0 H GLU A 56 10.581 -8.657 2.436 1.00 0.39 H new ATOM 0 HA GLU A 56 10.689 -10.964 4.103 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.571 -9.633 2.927 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.425 -8.477 4.236 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.234 -10.012 4.720 1.00 0.83 H new ATOM 0 HG3 GLU A 56 12.941 -10.263 5.876 1.00 0.83 H new ATOM 598 N ALA A 57 9.606 -8.218 5.419 1.00 0.39 N ATOM 599 CA ALA A 57 9.036 -7.615 6.614 1.00 0.39 C ATOM 600 C ALA A 57 7.834 -8.411 7.118 1.00 0.33 C ATOM 601 O ALA A 57 7.733 -8.721 8.307 1.00 0.39 O ATOM 602 CB ALA A 57 8.631 -6.177 6.327 1.00 0.42 C ATOM 0 H ALA A 57 9.450 -7.682 4.565 1.00 0.39 H new ATOM 0 HA ALA A 57 9.796 -7.626 7.395 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.205 -5.733 7.227 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.508 -5.606 6.020 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.890 -6.160 5.528 1.00 0.42 H new ATOM 608 N PHE A 58 6.932 -8.754 6.208 1.00 0.29 N ATOM 609 CA PHE A 58 5.689 -9.418 6.581 1.00 0.28 C ATOM 610 C PHE A 58 5.850 -10.933 6.651 1.00 0.30 C ATOM 611 O PHE A 58 5.127 -11.605 7.388 1.00 0.38 O ATOM 612 CB PHE A 58 4.575 -9.046 5.605 1.00 0.26 C ATOM 613 CG PHE A 58 4.152 -7.610 5.709 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.878 -6.610 5.083 1.00 1.18 C ATOM 615 CD2 PHE A 58 3.028 -7.259 6.434 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.493 -5.289 5.179 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.635 -5.939 6.534 1.00 1.22 C ATOM 618 CZ PHE A 58 3.369 -4.953 5.905 1.00 0.28 C ATOM 0 H PHE A 58 7.037 -8.584 5.208 1.00 0.29 H new ATOM 0 HA PHE A 58 5.420 -9.072 7.579 1.00 0.28 H new ATOM 0 HB2 PHE A 58 4.911 -9.246 4.587 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.712 -9.686 5.788 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.758 -6.868 4.512 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.451 -8.026 6.928 1.00 1.24 H new ATOM 0 HE1 PHE A 58 5.070 -4.520 4.687 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.755 -5.678 7.103 1.00 1.22 H new ATOM 0 HZ PHE A 58 3.064 -3.920 5.981 1.00 0.28 H new ATOM 628 N GLY A 59 6.790 -11.469 5.883 1.00 0.34 N ATOM 629 CA GLY A 59 7.076 -12.890 5.960 1.00 0.39 C ATOM 630 C GLY A 59 6.560 -13.671 4.769 1.00 0.38 C ATOM 631 O GLY A 59 6.193 -14.839 4.898 1.00 0.43 O ATOM 0 H GLY A 59 7.357 -10.950 5.212 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.154 -13.033 6.040 1.00 0.39 H new ATOM 0 HA3 GLY A 59 6.633 -13.294 6.870 1.00 0.39 H new ATOM 635 N PHE A 60 6.530 -13.037 3.609 1.00 0.35 N ATOM 636 CA PHE A 60 6.123 -13.714 2.386 1.00 0.39 C ATOM 637 C PHE A 60 7.045 -13.297 1.254 1.00 0.40 C ATOM 638 O PHE A 60 7.568 -12.189 1.258 1.00 0.42 O ATOM 639 CB PHE A 60 4.659 -13.395 2.035 1.00 0.40 C ATOM 640 CG PHE A 60 4.410 -11.977 1.588 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.190 -10.969 2.511 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.390 -11.658 0.237 1.00 1.22 C ATOM 643 CE1 PHE A 60 3.956 -9.672 2.097 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.156 -10.363 -0.181 1.00 1.20 C ATOM 645 CZ PHE A 60 3.939 -9.368 0.749 1.00 0.33 C ATOM 0 H PHE A 60 6.782 -12.056 3.487 1.00 0.35 H new ATOM 0 HA PHE A 60 6.196 -14.791 2.538 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.334 -14.072 1.245 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.038 -13.600 2.907 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.201 -11.199 3.566 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.560 -12.433 -0.496 1.00 1.22 H new ATOM 0 HE1 PHE A 60 3.786 -8.895 2.827 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.143 -10.129 -1.235 1.00 1.20 H new ATOM 0 HZ PHE A 60 3.756 -8.354 0.425 1.00 0.33 H new ATOM 655 N GLU A 61 7.263 -14.187 0.303 1.00 0.48 N ATOM 656 CA GLU A 61 8.113 -13.876 -0.833 1.00 0.55 C ATOM 657 C GLU A 61 7.313 -13.180 -1.926 1.00 0.50 C ATOM 658 O GLU A 61 6.087 -13.285 -1.954 1.00 0.48 O ATOM 659 CB GLU A 61 8.769 -15.144 -1.377 1.00 0.70 C ATOM 660 CG GLU A 61 9.783 -15.756 -0.425 1.00 0.81 C ATOM 661 CD GLU A 61 10.948 -14.830 -0.144 1.00 1.48 C ATOM 662 OE1 GLU A 61 11.860 -14.744 -0.992 1.00 2.33 O ATOM 663 OE2 GLU A 61 10.962 -14.187 0.927 1.00 2.05 O ATOM 0 H GLU A 61 6.866 -15.126 0.294 1.00 0.48 H new ATOM 0 HA GLU A 61 8.898 -13.199 -0.497 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.995 -15.880 -1.594 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.262 -14.913 -2.321 1.00 0.70 H new ATOM 0 HG2 GLU A 61 9.289 -16.008 0.513 1.00 0.81 H new ATOM 0 HG3 GLU A 61 10.158 -16.688 -0.849 1.00 0.81 H new ATOM 670 N ARG A 62 7.996 -12.477 -2.818 1.00 0.54 N ATOM 671 CA ARG A 62 7.330 -11.720 -3.875 1.00 0.53 C ATOM 672 C ARG A 62 6.397 -12.614 -4.689 1.00 0.53 C ATOM 673 O ARG A 62 5.232 -12.291 -4.882 1.00 0.64 O ATOM 674 CB ARG A 62 8.371 -11.070 -4.785 1.00 0.63 C ATOM 675 CG ARG A 62 7.782 -10.194 -5.879 1.00 1.40 C ATOM 676 CD ARG A 62 8.857 -9.776 -6.865 1.00 1.46 C ATOM 677 NE ARG A 62 9.543 -10.942 -7.416 1.00 2.25 N ATOM 678 CZ ARG A 62 10.832 -10.976 -7.736 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.578 -9.878 -7.663 1.00 2.13 N ATOM 680 NH2 ARG A 62 11.369 -12.118 -8.144 1.00 3.67 N ATOM 0 H ARG A 62 9.014 -12.413 -2.833 1.00 0.54 H new ATOM 0 HA ARG A 62 6.726 -10.941 -3.410 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.044 -10.467 -4.176 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.973 -11.853 -5.246 1.00 0.63 H new ATOM 0 HG2 ARG A 62 6.993 -10.736 -6.401 1.00 1.40 H new ATOM 0 HG3 ARG A 62 7.323 -9.310 -5.437 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.409 -9.197 -7.673 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.578 -9.126 -6.369 1.00 1.46 H new ATOM 0 HE ARG A 62 8.994 -11.789 -7.565 1.00 2.25 H new ATOM 0 HH11 ARG A 62 11.162 -8.998 -7.359 1.00 2.13 H new ATOM 0 HH12 ARG A 62 12.567 -9.916 -7.911 1.00 2.13 H new ATOM 0 HH21 ARG A 62 10.793 -12.958 -8.209 1.00 3.67 H new ATOM 0 HH22 ARG A 62 12.358 -12.157 -8.392 1.00 3.67 H new ATOM 694 N GLU A 63 6.898 -13.763 -5.120 1.00 0.58 N ATOM 695 CA GLU A 63 6.110 -14.682 -5.941 1.00 0.64 C ATOM 696 C GLU A 63 4.984 -15.341 -5.141 1.00 0.63 C ATOM 697 O GLU A 63 4.115 -16.001 -5.712 1.00 0.75 O ATOM 698 CB GLU A 63 7.007 -15.759 -6.560 1.00 0.74 C ATOM 699 CG GLU A 63 7.649 -15.354 -7.881 1.00 1.70 C ATOM 700 CD GLU A 63 8.506 -14.109 -7.781 1.00 2.53 C ATOM 701 OE1 GLU A 63 9.698 -14.220 -7.424 1.00 3.12 O ATOM 702 OE2 GLU A 63 7.995 -13.008 -8.069 1.00 3.20 O ATOM 0 H GLU A 63 7.845 -14.084 -4.917 1.00 0.58 H new ATOM 0 HA GLU A 63 5.656 -14.091 -6.736 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.794 -16.013 -5.850 1.00 0.74 H new ATOM 0 HB3 GLU A 63 6.416 -16.661 -6.718 1.00 0.74 H new ATOM 0 HG2 GLU A 63 8.262 -16.179 -8.246 1.00 1.70 H new ATOM 0 HG3 GLU A 63 6.866 -15.188 -8.620 1.00 1.70 H new ATOM 709 N ALA A 64 4.985 -15.144 -3.828 1.00 0.55 N ATOM 710 CA ALA A 64 3.987 -15.759 -2.964 1.00 0.60 C ATOM 711 C ALA A 64 2.728 -14.903 -2.869 1.00 0.54 C ATOM 712 O ALA A 64 1.693 -15.365 -2.384 1.00 0.57 O ATOM 713 CB ALA A 64 4.563 -16.008 -1.579 1.00 0.67 C ATOM 0 H ALA A 64 5.666 -14.563 -3.339 1.00 0.55 H new ATOM 0 HA ALA A 64 3.708 -16.715 -3.407 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.804 -16.468 -0.946 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.423 -16.674 -1.657 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.876 -15.061 -1.140 1.00 0.67 H new ATOM 719 N VAL A 65 2.807 -13.660 -3.343 1.00 0.51 N ATOM 720 CA VAL A 65 1.666 -12.751 -3.278 1.00 0.47 C ATOM 721 C VAL A 65 0.517 -13.255 -4.150 1.00 0.53 C ATOM 722 O VAL A 65 -0.655 -13.052 -3.831 1.00 0.54 O ATOM 723 CB VAL A 65 2.044 -11.305 -3.689 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.537 -11.237 -5.123 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.871 -10.363 -3.502 1.00 0.50 C ATOM 0 H VAL A 65 3.643 -13.263 -3.773 1.00 0.51 H new ATOM 0 HA VAL A 65 1.343 -12.728 -2.237 1.00 0.47 H new ATOM 0 HB VAL A 65 2.858 -10.992 -3.035 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.791 -10.207 -5.372 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.420 -11.866 -5.234 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.754 -11.589 -5.794 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.163 -9.355 -3.798 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.036 -10.695 -4.119 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.569 -10.361 -2.455 1.00 0.50 H new ATOM 729 N SER A 66 0.861 -13.944 -5.231 1.00 0.63 N ATOM 730 CA SER A 66 -0.135 -14.485 -6.143 1.00 0.75 C ATOM 731 C SER A 66 -1.027 -15.494 -5.418 1.00 0.76 C ATOM 732 O SER A 66 -2.246 -15.510 -5.606 1.00 0.84 O ATOM 733 CB SER A 66 0.553 -15.139 -7.345 1.00 0.89 C ATOM 734 OG SER A 66 -0.389 -15.552 -8.318 1.00 1.63 O ATOM 0 H SER A 66 1.826 -14.141 -5.497 1.00 0.63 H new ATOM 0 HA SER A 66 -0.763 -13.670 -6.503 1.00 0.75 H new ATOM 0 HB2 SER A 66 1.255 -14.435 -7.792 1.00 0.89 H new ATOM 0 HB3 SER A 66 1.133 -15.999 -7.010 1.00 0.89 H new ATOM 0 HG SER A 66 0.080 -15.964 -9.073 1.00 1.63 H new ATOM 740 N GLY A 67 -0.416 -16.319 -4.574 1.00 0.73 N ATOM 741 CA GLY A 67 -1.169 -17.287 -3.801 1.00 0.75 C ATOM 742 C GLY A 67 -2.051 -16.623 -2.766 1.00 0.70 C ATOM 743 O GLY A 67 -3.174 -17.068 -2.517 1.00 0.76 O ATOM 0 H GLY A 67 0.591 -16.334 -4.412 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.785 -17.886 -4.472 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.480 -17.970 -3.305 1.00 0.75 H new ATOM 747 N ILE A 68 -1.545 -15.545 -2.174 1.00 0.63 N ATOM 748 CA ILE A 68 -2.299 -14.779 -1.190 1.00 0.59 C ATOM 749 C ILE A 68 -3.542 -14.180 -1.834 1.00 0.63 C ATOM 750 O ILE A 68 -4.653 -14.332 -1.329 1.00 0.71 O ATOM 751 CB ILE A 68 -1.449 -13.639 -0.578 1.00 0.51 C ATOM 752 CG1 ILE A 68 -0.174 -14.203 0.058 1.00 0.50 C ATOM 753 CG2 ILE A 68 -2.260 -12.860 0.451 1.00 0.50 C ATOM 754 CD1 ILE A 68 0.734 -13.145 0.650 1.00 0.45 C ATOM 0 H ILE A 68 -0.610 -15.182 -2.361 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.583 -15.465 -0.392 1.00 0.59 H new ATOM 0 HB ILE A 68 -1.162 -12.956 -1.378 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.451 -14.909 0.840 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.380 -14.763 -0.696 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.646 -12.063 0.870 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -3.138 -12.428 -0.029 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -2.577 -13.532 1.249 1.00 0.50 H new ATOM 0 HD11 ILE A 68 1.615 -13.621 1.081 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.043 -12.451 -0.132 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.199 -12.600 1.428 1.00 0.45 H new ATOM 761 N LEU A 69 -3.351 -13.541 -2.981 1.00 0.62 N ATOM 762 CA LEU A 69 -4.440 -12.871 -3.682 1.00 0.67 C ATOM 763 C LEU A 69 -5.380 -13.875 -4.353 1.00 0.85 C ATOM 764 O LEU A 69 -6.351 -13.498 -5.008 1.00 1.14 O ATOM 765 CB LEU A 69 -3.872 -11.887 -4.706 1.00 0.62 C ATOM 766 CG LEU A 69 -2.980 -10.792 -4.112 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.454 -9.872 -5.200 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.741 -9.993 -3.063 1.00 0.45 C ATOM 0 H LEU A 69 -2.447 -13.472 -3.448 1.00 0.62 H new ATOM 0 HA LEU A 69 -5.029 -12.319 -2.949 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.297 -12.444 -5.446 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.700 -11.415 -5.235 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.128 -11.273 -3.632 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.824 -9.103 -4.753 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.869 -10.451 -5.915 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.292 -9.401 -5.714 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.091 -9.220 -2.652 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.613 -9.528 -3.522 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -4.064 -10.658 -2.262 1.00 0.45 H new ATOM 780 N GLY A 70 -5.086 -15.152 -4.190 1.00 0.81 N ATOM 781 CA GLY A 70 -5.996 -16.179 -4.644 1.00 0.94 C ATOM 782 C GLY A 70 -6.987 -16.551 -3.562 1.00 0.99 C ATOM 783 O GLY A 70 -8.189 -16.655 -3.813 1.00 1.25 O ATOM 0 H GLY A 70 -4.232 -15.497 -3.751 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.532 -15.829 -5.527 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.432 -17.062 -4.943 1.00 0.94 H new ATOM 787 N LYS A 71 -6.482 -16.712 -2.346 1.00 0.87 N ATOM 788 CA LYS A 71 -7.309 -17.125 -1.218 1.00 0.98 C ATOM 789 C LYS A 71 -8.010 -15.930 -0.572 1.00 0.99 C ATOM 790 O LYS A 71 -9.188 -16.010 -0.228 1.00 1.26 O ATOM 791 CB LYS A 71 -6.461 -17.867 -0.177 1.00 1.11 C ATOM 792 CG LYS A 71 -5.261 -17.072 0.321 1.00 1.69 C ATOM 793 CD LYS A 71 -4.513 -17.796 1.429 1.00 2.11 C ATOM 794 CE LYS A 71 -3.945 -19.125 0.956 1.00 2.60 C ATOM 795 NZ LYS A 71 -3.114 -19.778 2.002 1.00 3.16 N ATOM 0 H LYS A 71 -5.500 -16.562 -2.114 1.00 0.87 H new ATOM 0 HA LYS A 71 -8.076 -17.799 -1.598 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -7.092 -18.125 0.674 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -6.110 -18.804 -0.610 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -4.582 -16.883 -0.510 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -5.596 -16.101 0.685 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -3.703 -17.164 1.793 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -5.186 -17.967 2.269 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -4.762 -19.789 0.675 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -3.343 -18.964 0.062 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -2.746 -20.681 1.640 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -2.319 -19.156 2.253 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -3.695 -19.955 2.846 1.00 3.16 H new ATOM 809 N SER A 72 -7.286 -14.827 -0.421 1.00 0.92 N ATOM 810 CA SER A 72 -7.809 -13.642 0.246 1.00 1.08 C ATOM 811 C SER A 72 -8.930 -12.990 -0.559 1.00 1.04 C ATOM 812 O SER A 72 -8.973 -13.082 -1.786 1.00 1.21 O ATOM 813 CB SER A 72 -6.678 -12.642 0.474 1.00 1.30 C ATOM 814 OG SER A 72 -5.670 -13.204 1.297 1.00 2.02 O ATOM 0 H SER A 72 -6.327 -14.729 -0.755 1.00 0.92 H new ATOM 0 HA SER A 72 -8.228 -13.950 1.204 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.249 -12.346 -0.483 1.00 1.30 H new ATOM 0 HB3 SER A 72 -7.073 -11.739 0.939 1.00 1.30 H new ATOM 0 HG SER A 72 -6.012 -13.306 2.210 1.00 2.02 H new ATOM 820 N GLU A 73 -9.831 -12.319 0.160 1.00 1.13 N ATOM 821 CA GLU A 73 -11.004 -11.685 -0.439 1.00 1.31 C ATOM 822 C GLU A 73 -10.608 -10.459 -1.251 1.00 1.26 C ATOM 823 O GLU A 73 -11.406 -9.926 -2.017 1.00 1.87 O ATOM 824 CB GLU A 73 -11.989 -11.263 0.656 1.00 1.67 C ATOM 825 CG GLU A 73 -12.356 -12.375 1.625 1.00 1.87 C ATOM 826 CD GLU A 73 -13.145 -13.486 0.971 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.527 -14.415 0.422 1.00 2.46 O ATOM 828 OE2 GLU A 73 -14.388 -13.439 1.017 1.00 2.64 O ATOM 0 H GLU A 73 -9.768 -12.200 1.171 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.475 -12.411 -1.102 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.558 -10.434 1.218 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.899 -10.890 0.186 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -11.445 -12.789 2.058 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -12.938 -11.957 2.446 1.00 1.87 H new ATOM 835 N PHE A 74 -9.381 -10.010 -1.056 1.00 1.04 N ATOM 836 CA PHE A 74 -8.864 -8.856 -1.769 1.00 1.02 C ATOM 837 C PHE A 74 -8.577 -9.213 -3.220 1.00 1.08 C ATOM 838 O PHE A 74 -9.036 -8.531 -4.140 1.00 1.45 O ATOM 839 CB PHE A 74 -7.590 -8.360 -1.088 1.00 0.94 C ATOM 840 CG PHE A 74 -7.800 -7.960 0.343 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.591 -6.871 0.658 1.00 1.18 C ATOM 842 CD2 PHE A 74 -7.216 -8.679 1.373 1.00 1.61 C ATOM 843 CE1 PHE A 74 -8.796 -6.502 1.972 1.00 1.25 C ATOM 844 CE2 PHE A 74 -7.418 -8.315 2.691 1.00 1.70 C ATOM 845 CZ PHE A 74 -8.209 -7.225 2.990 1.00 1.19 C ATOM 0 H PHE A 74 -8.719 -10.431 -0.404 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.613 -8.064 -1.750 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.834 -9.144 -1.132 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.198 -7.508 -1.643 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.054 -6.302 -0.134 1.00 1.18 H new ATOM 0 HD2 PHE A 74 -6.596 -9.533 1.144 1.00 1.61 H new ATOM 0 HE1 PHE A 74 -9.415 -5.648 2.203 1.00 1.25 H new ATOM 0 HE2 PHE A 74 -6.957 -8.883 3.486 1.00 1.70 H new ATOM 0 HZ PHE A 74 -8.368 -6.938 4.019 1.00 1.19 H new ATOM 901 N HIS A 78 -7.021 -3.880 -8.734 1.00 0.88 N ATOM 902 CA HIS A 78 -6.130 -2.739 -8.649 1.00 0.85 C ATOM 903 C HIS A 78 -6.401 -1.990 -7.355 1.00 0.69 C ATOM 904 O HIS A 78 -7.538 -1.607 -7.070 1.00 0.68 O ATOM 905 CB HIS A 78 -6.310 -1.812 -9.856 1.00 1.02 C ATOM 906 CG HIS A 78 -5.882 -2.426 -11.154 1.00 1.16 C ATOM 907 ND1 HIS A 78 -6.717 -2.544 -12.244 1.00 1.50 N ATOM 908 CD2 HIS A 78 -4.694 -2.956 -11.534 1.00 1.41 C ATOM 909 CE1 HIS A 78 -6.062 -3.120 -13.235 1.00 1.96 C ATOM 910 NE2 HIS A 78 -4.833 -3.378 -12.831 1.00 1.85 N ATOM 0 HA HIS A 78 -5.099 -3.091 -8.655 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -7.359 -1.524 -9.929 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -5.739 -0.899 -9.690 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -3.803 -3.032 -10.928 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -6.465 -3.343 -14.212 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -4.105 -3.820 -13.392 1.00 1.85 H new ATOM 919 N LEU A 79 -5.337 -1.799 -6.578 1.00 0.60 N ATOM 920 CA LEU A 79 -5.420 -1.203 -5.247 1.00 0.46 C ATOM 921 C LEU A 79 -6.095 0.163 -5.285 1.00 0.44 C ATOM 922 O LEU A 79 -6.791 0.543 -4.350 1.00 0.42 O ATOM 923 CB LEU A 79 -4.013 -1.076 -4.647 1.00 0.44 C ATOM 924 CG LEU A 79 -3.939 -0.437 -3.256 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.639 -1.305 -2.222 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.491 -0.201 -2.857 1.00 0.41 C ATOM 0 H LEU A 79 -4.389 -2.054 -6.855 1.00 0.60 H new ATOM 0 HA LEU A 79 -6.028 -1.857 -4.622 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.570 -2.070 -4.594 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.399 -0.489 -5.330 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.451 0.524 -3.296 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.573 -0.830 -1.243 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.687 -1.425 -2.497 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -4.160 -2.283 -2.184 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.456 0.253 -1.867 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.959 -1.152 -2.839 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -2.019 0.465 -3.579 1.00 0.41 H new ATOM 938 N ALA A 80 -5.893 0.886 -6.374 1.00 0.50 N ATOM 939 CA ALA A 80 -6.475 2.209 -6.531 1.00 0.54 C ATOM 940 C ALA A 80 -7.997 2.144 -6.565 1.00 0.58 C ATOM 941 O ALA A 80 -8.669 2.883 -5.851 1.00 0.61 O ATOM 942 CB ALA A 80 -5.945 2.860 -7.790 1.00 0.63 C ATOM 0 H ALA A 80 -5.328 0.578 -7.165 1.00 0.50 H new ATOM 0 HA ALA A 80 -6.188 2.812 -5.669 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -6.386 3.851 -7.901 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.861 2.950 -7.724 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -6.206 2.248 -8.654 1.00 0.63 H new ATOM 948 N ASP A 81 -8.534 1.244 -7.383 1.00 0.64 N ATOM 949 CA ASP A 81 -9.983 1.080 -7.504 1.00 0.70 C ATOM 950 C ASP A 81 -10.578 0.666 -6.166 1.00 0.60 C ATOM 951 O ASP A 81 -11.639 1.149 -5.760 1.00 0.67 O ATOM 952 CB ASP A 81 -10.319 0.033 -8.565 1.00 0.78 C ATOM 953 CG ASP A 81 -11.812 -0.150 -8.740 1.00 1.52 C ATOM 954 OD1 ASP A 81 -12.452 0.725 -9.363 1.00 2.06 O ATOM 955 OD2 ASP A 81 -12.354 -1.172 -8.270 1.00 2.30 O ATOM 0 H ASP A 81 -7.989 0.616 -7.973 1.00 0.64 H new ATOM 0 HA ASP A 81 -10.412 2.035 -7.806 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.878 0.329 -9.517 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.869 -0.920 -8.287 1.00 0.78 H new ATOM 960 N ILE A 82 -9.872 -0.227 -5.491 1.00 0.50 N ATOM 961 CA ILE A 82 -10.238 -0.668 -4.153 1.00 0.45 C ATOM 962 C ILE A 82 -10.340 0.522 -3.199 1.00 0.48 C ATOM 963 O ILE A 82 -11.316 0.668 -2.464 1.00 0.61 O ATOM 964 CB ILE A 82 -9.198 -1.681 -3.624 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.310 -2.997 -4.400 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.362 -1.910 -2.129 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.264 -4.020 -4.018 1.00 0.61 C ATOM 0 H ILE A 82 -9.027 -0.668 -5.855 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.213 -1.152 -4.207 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.201 -1.268 -3.780 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.299 -3.423 -4.234 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.228 -2.788 -5.467 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -8.616 -2.627 -1.787 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.228 -0.967 -1.600 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.360 -2.300 -1.928 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.407 -4.925 -4.609 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.271 -3.614 -4.210 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.359 -4.260 -2.959 1.00 0.61 H new ATOM 974 N LEU A 83 -9.334 1.381 -3.241 1.00 0.44 N ATOM 975 CA LEU A 83 -9.289 2.566 -2.393 1.00 0.52 C ATOM 976 C LEU A 83 -10.370 3.569 -2.789 1.00 0.69 C ATOM 977 O LEU A 83 -10.948 4.240 -1.934 1.00 0.83 O ATOM 978 CB LEU A 83 -7.898 3.206 -2.471 1.00 0.47 C ATOM 979 CG LEU A 83 -6.878 2.712 -1.440 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.890 1.195 -1.334 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.486 3.201 -1.808 1.00 0.42 C ATOM 0 H LEU A 83 -8.529 1.279 -3.859 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.483 2.264 -1.364 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.493 3.030 -3.468 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -8.008 4.284 -2.357 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.156 3.119 -0.468 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.155 0.876 -0.594 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.881 0.859 -1.029 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.642 0.761 -2.302 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.768 2.845 -1.069 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -5.214 2.819 -2.792 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.476 4.291 -1.827 1.00 0.42 H new ATOM 993 N ASN A 84 -10.656 3.652 -4.084 1.00 0.74 N ATOM 994 CA ASN A 84 -11.695 4.553 -4.593 1.00 0.94 C ATOM 995 C ASN A 84 -13.078 4.119 -4.129 1.00 0.97 C ATOM 996 O ASN A 84 -14.048 4.867 -4.250 1.00 1.15 O ATOM 997 CB ASN A 84 -11.677 4.605 -6.122 1.00 1.04 C ATOM 998 CG ASN A 84 -10.451 5.292 -6.682 1.00 1.27 C ATOM 999 OD1 ASN A 84 -9.867 6.170 -6.049 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -10.063 4.903 -7.887 1.00 1.79 N ATOM 0 H ASN A 84 -10.184 3.107 -4.805 1.00 0.74 H new ATOM 0 HA ASN A 84 -11.479 5.545 -4.195 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -11.727 3.589 -6.514 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -12.569 5.126 -6.472 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -9.250 5.336 -8.325 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -10.577 4.171 -8.377 1.00 1.79 H new ATOM 1007 N SER A 85 -13.168 2.905 -3.610 1.00 0.87 N ATOM 1008 CA SER A 85 -14.428 2.371 -3.123 1.00 0.93 C ATOM 1009 C SER A 85 -14.718 2.864 -1.703 1.00 0.91 C ATOM 1010 O SER A 85 -15.815 2.663 -1.177 1.00 1.01 O ATOM 1011 CB SER A 85 -14.392 0.846 -3.172 1.00 0.98 C ATOM 1012 OG SER A 85 -14.033 0.397 -4.469 1.00 1.50 O ATOM 0 H SER A 85 -12.377 2.268 -3.515 1.00 0.87 H new ATOM 0 HA SER A 85 -15.233 2.726 -3.766 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.677 0.470 -2.440 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.368 0.445 -2.899 1.00 0.98 H new ATOM 0 HG SER A 85 -13.120 0.689 -4.675 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.730 3.509 -1.088 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.876 4.031 0.266 1.00 0.95 C ATOM 1020 C ALA A 86 -14.484 5.433 0.248 1.00 1.14 C ATOM 1021 O ALA A 86 -14.885 5.931 -0.804 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.527 4.043 0.967 1.00 1.09 C ATOM 0 H ALA A 86 -12.817 3.683 -1.508 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.554 3.379 0.817 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.645 4.434 1.977 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.133 3.028 1.015 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.834 4.675 0.412 1.00 1.09 H new ATOM 1162 N ALA B 17 -7.823 8.613 -7.705 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.717 7.736 -7.345 1.00 0.81 C ATOM 1164 C ALA B 17 -5.416 8.211 -7.964 1.00 0.69 C ATOM 1165 O ALA B 17 -4.775 7.486 -8.730 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.005 6.297 -7.738 1.00 1.09 C ATOM 0 HA ALA B 17 -6.609 7.774 -6.261 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.161 5.667 -7.456 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -7.903 5.952 -7.225 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.158 6.238 -8.816 1.00 1.09 H new ATOM 1172 N SER B 18 -5.026 9.431 -7.634 1.00 0.64 N ATOM 1173 CA SER B 18 -3.766 9.966 -8.097 1.00 0.61 C ATOM 1174 C SER B 18 -2.633 9.160 -7.476 1.00 0.50 C ATOM 1175 O SER B 18 -2.764 8.689 -6.344 1.00 0.45 O ATOM 1176 CB SER B 18 -3.647 11.452 -7.740 1.00 0.67 C ATOM 1177 OG SER B 18 -2.440 12.017 -8.230 1.00 1.33 O ATOM 0 H SER B 18 -5.567 10.066 -7.047 1.00 0.64 H new ATOM 0 HA SER B 18 -3.709 9.887 -9.183 1.00 0.61 H new ATOM 0 HB2 SER B 18 -4.497 11.995 -8.154 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.690 11.570 -6.657 1.00 0.67 H new ATOM 0 HG SER B 18 -2.400 12.965 -7.985 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.549 8.971 -8.209 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.502 8.039 -7.800 1.00 0.43 C ATOM 1185 C LYS B 19 -0.011 8.339 -6.380 1.00 0.35 C ATOM 1186 O LYS B 19 0.152 7.425 -5.563 1.00 0.28 O ATOM 1187 CB LYS B 19 0.653 8.086 -8.802 1.00 0.54 C ATOM 1188 CG LYS B 19 0.185 8.007 -10.249 1.00 0.85 C ATOM 1189 CD LYS B 19 1.345 8.007 -11.230 1.00 1.13 C ATOM 1190 CE LYS B 19 0.882 8.356 -12.641 1.00 1.74 C ATOM 1191 NZ LYS B 19 -0.194 7.451 -13.131 1.00 2.10 N ATOM 0 H LYS B 19 -1.367 9.449 -9.092 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.919 7.032 -7.790 1.00 0.43 H new ATOM 0 HB2 LYS B 19 1.216 9.008 -8.657 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.336 7.261 -8.601 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.406 7.102 -10.389 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.470 8.852 -10.464 1.00 0.85 H new ATOM 0 HD2 LYS B 19 2.098 8.725 -10.905 1.00 1.13 H new ATOM 0 HD3 LYS B 19 1.820 7.026 -11.234 1.00 1.13 H new ATOM 0 HE2 LYS B 19 0.522 9.385 -12.657 1.00 1.74 H new ATOM 0 HE3 LYS B 19 1.732 8.305 -13.321 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 -0.566 7.811 -14.033 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.193 6.496 -13.272 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 -0.962 7.413 -12.430 1.00 2.10 H new ATOM 1205 N GLU B 20 0.173 9.622 -6.082 1.00 0.41 N ATOM 1206 CA GLU B 20 0.647 10.049 -4.769 1.00 0.42 C ATOM 1207 C GLU B 20 -0.385 9.753 -3.675 1.00 0.34 C ATOM 1208 O GLU B 20 -0.019 9.492 -2.531 1.00 0.30 O ATOM 1209 CB GLU B 20 0.983 11.544 -4.783 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.219 12.440 -5.045 1.00 0.64 C ATOM 1211 CD GLU B 20 0.143 13.909 -5.089 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.547 14.463 -4.046 1.00 1.49 O ATOM 1213 OE2 GLU B 20 0.013 14.524 -6.167 1.00 1.58 O ATOM 0 H GLU B 20 0.000 10.387 -6.735 1.00 0.41 H new ATOM 0 HA GLU B 20 1.550 9.481 -4.543 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.426 11.817 -3.825 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.737 11.730 -5.547 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.679 12.155 -5.991 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -0.964 12.277 -4.266 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.667 9.780 -4.035 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.744 9.542 -3.075 1.00 0.39 C ATOM 1222 C GLU B 21 -2.743 8.092 -2.619 1.00 0.32 C ATOM 1223 O GLU B 21 -3.013 7.789 -1.457 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.102 9.873 -3.690 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.281 11.334 -4.058 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.662 11.625 -4.612 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.045 11.014 -5.630 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -6.378 12.463 -4.022 1.00 1.49 O ATOM 0 H GLU B 21 -1.986 9.965 -4.986 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.572 10.191 -2.217 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.241 9.265 -4.584 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.885 9.589 -2.987 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.108 11.952 -3.177 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.530 11.615 -4.796 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.443 7.199 -3.548 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.365 5.781 -3.241 1.00 0.29 C ATOM 1237 C ILE B 22 -1.177 5.516 -2.335 1.00 0.24 C ATOM 1238 O ILE B 22 -1.307 4.888 -1.282 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.227 4.942 -4.522 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.372 5.267 -5.484 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.208 3.455 -4.178 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.150 4.761 -6.890 1.00 0.44 C ATOM 0 H ILE B 22 -2.249 7.432 -4.522 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.288 5.493 -2.737 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.285 5.189 -5.012 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.295 4.836 -5.094 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.513 6.347 -5.515 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.110 2.871 -5.093 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.364 3.244 -3.521 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.136 3.186 -3.674 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.004 5.030 -7.512 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.246 5.211 -7.300 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.040 3.677 -6.873 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.022 6.031 -2.741 1.00 0.20 N ATOM 1250 CA ALA B 23 1.200 5.889 -1.965 1.00 0.19 C ATOM 1251 C ALA B 23 1.043 6.523 -0.592 1.00 0.20 C ATOM 1252 O ALA B 23 1.662 6.086 0.376 1.00 0.20 O ATOM 1253 CB ALA B 23 2.368 6.512 -2.706 1.00 0.20 C ATOM 0 H ALA B 23 0.092 6.554 -3.609 1.00 0.20 H new ATOM 0 HA ALA B 23 1.399 4.826 -1.828 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.276 6.399 -2.114 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.497 6.014 -3.667 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.171 7.572 -2.870 1.00 0.20 H new ATOM 1259 N ALA B 24 0.205 7.552 -0.522 1.00 0.22 N ATOM 1260 CA ALA B 24 -0.100 8.222 0.732 1.00 0.25 C ATOM 1261 C ALA B 24 -0.620 7.230 1.767 1.00 0.23 C ATOM 1262 O ALA B 24 -0.111 7.162 2.884 1.00 0.25 O ATOM 1263 CB ALA B 24 -1.114 9.328 0.495 1.00 0.31 C ATOM 0 H ALA B 24 -0.279 7.942 -1.331 1.00 0.22 H new ATOM 0 HA ALA B 24 0.818 8.662 1.122 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -1.337 9.825 1.439 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.704 10.053 -0.209 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -2.029 8.901 0.084 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.623 6.447 1.388 1.00 0.23 N ATOM 1270 CA LEU B 25 -2.165 5.433 2.283 1.00 0.23 C ATOM 1271 C LEU B 25 -1.162 4.309 2.504 1.00 0.22 C ATOM 1272 O LEU B 25 -1.080 3.744 3.595 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.465 4.851 1.736 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.689 5.758 1.830 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.899 5.061 1.231 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.959 6.141 3.277 1.00 0.43 C ATOM 0 H LEU B 25 -2.074 6.494 0.474 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.371 5.921 3.236 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.311 4.587 0.690 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.680 3.925 2.270 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.493 6.670 1.266 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.768 5.715 1.302 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.704 4.829 0.184 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -6.094 4.138 1.777 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.835 6.788 3.325 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.140 5.241 3.864 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -4.095 6.670 3.681 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.400 3.995 1.466 1.00 0.20 N ATOM 1289 CA ILE B 26 0.598 2.939 1.541 1.00 0.21 C ATOM 1290 C ILE B 26 1.640 3.247 2.619 1.00 0.20 C ATOM 1291 O ILE B 26 1.888 2.425 3.507 1.00 0.22 O ATOM 1292 CB ILE B 26 1.295 2.723 0.178 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.273 2.275 -0.878 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.414 1.701 0.308 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.871 2.028 -2.247 1.00 0.27 C ATOM 0 H ILE B 26 -0.455 4.459 0.559 1.00 0.20 H new ATOM 0 HA ILE B 26 0.077 2.019 1.808 1.00 0.21 H new ATOM 0 HB ILE B 26 1.732 3.669 -0.143 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.212 1.361 -0.535 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.503 3.036 -0.964 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.894 1.561 -0.661 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.150 2.057 1.029 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.002 0.751 0.649 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.086 1.715 -2.936 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.331 2.945 -2.614 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.626 1.245 -2.178 1.00 0.27 H new ATOM 1302 N VAL B 27 2.227 4.439 2.560 1.00 0.18 N ATOM 1303 CA VAL B 27 3.227 4.836 3.546 1.00 0.20 C ATOM 1304 C VAL B 27 2.578 5.085 4.905 1.00 0.22 C ATOM 1305 O VAL B 27 3.200 4.869 5.946 1.00 0.23 O ATOM 1306 CB VAL B 27 4.025 6.087 3.109 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.770 5.818 1.812 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.123 7.303 2.964 1.00 0.21 C ATOM 0 H VAL B 27 2.030 5.141 1.847 1.00 0.18 H new ATOM 0 HA VAL B 27 3.931 4.008 3.626 1.00 0.20 H new ATOM 0 HB VAL B 27 4.752 6.306 3.891 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.326 6.709 1.520 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.463 4.989 1.956 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.056 5.563 1.029 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.718 8.163 2.656 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.359 7.102 2.213 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.644 7.517 3.920 1.00 0.21 H new ATOM 1312 N ASN B 28 1.319 5.520 4.891 1.00 0.25 N ATOM 1313 CA ASN B 28 0.567 5.730 6.124 1.00 0.32 C ATOM 1314 C ASN B 28 0.418 4.411 6.871 1.00 0.27 C ATOM 1315 O ASN B 28 0.568 4.355 8.091 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.815 6.320 5.822 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.607 6.644 7.079 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -1.042 7.008 8.112 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -2.924 6.521 6.998 1.00 0.86 N ATOM 0 H ASN B 28 0.800 5.733 4.039 1.00 0.25 H new ATOM 0 HA ASN B 28 1.115 6.437 6.748 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.696 7.227 5.230 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.381 5.614 5.214 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -3.507 6.731 7.809 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -3.355 6.217 6.125 1.00 0.86 H new ATOM 1326 N TYR B 29 0.137 3.346 6.127 1.00 0.25 N ATOM 1327 CA TYR B 29 0.019 2.018 6.709 1.00 0.24 C ATOM 1328 C TYR B 29 1.347 1.570 7.307 1.00 0.18 C ATOM 1329 O TYR B 29 1.396 1.118 8.449 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.453 1.002 5.666 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.432 -0.423 6.174 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.269 -0.824 7.207 1.00 1.23 C ATOM 1333 CD2 TYR B 29 0.442 -1.360 5.638 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.240 -2.118 7.688 1.00 1.25 C ATOM 1335 CE2 TYR B 29 0.478 -2.655 6.115 1.00 1.22 C ATOM 1336 CZ TYR B 29 -0.363 -3.029 7.140 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.324 -4.317 7.623 1.00 0.49 O ATOM 0 H TYR B 29 -0.013 3.379 5.119 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.725 2.070 7.504 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.466 1.255 5.353 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.181 1.076 4.782 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.954 -0.111 7.642 1.00 1.23 H new ATOM 0 HD2 TYR B 29 1.104 -1.071 4.835 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -1.901 -2.415 8.489 1.00 1.25 H new ATOM 0 HE2 TYR B 29 1.163 -3.372 5.686 1.00 1.22 H new ATOM 0 HH TYR B 29 -0.383 -4.948 6.876 1.00 0.49 H new ATOM 1347 N PHE B 30 2.421 1.705 6.536 1.00 0.16 N ATOM 1348 CA PHE B 30 3.745 1.313 7.004 1.00 0.16 C ATOM 1349 C PHE B 30 4.134 2.098 8.252 1.00 0.18 C ATOM 1350 O PHE B 30 4.695 1.542 9.198 1.00 0.21 O ATOM 1351 CB PHE B 30 4.797 1.515 5.913 1.00 0.19 C ATOM 1352 CG PHE B 30 4.694 0.546 4.769 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.454 -0.800 4.996 1.00 1.20 C ATOM 1354 CD2 PHE B 30 4.846 0.981 3.463 1.00 1.17 C ATOM 1355 CE1 PHE B 30 4.366 -1.691 3.945 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.761 0.094 2.407 1.00 1.16 C ATOM 1357 CZ PHE B 30 4.520 -1.244 2.649 1.00 0.25 C ATOM 0 H PHE B 30 2.401 2.081 5.588 1.00 0.16 H new ATOM 0 HA PHE B 30 3.704 0.253 7.254 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.710 2.529 5.524 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.788 1.429 6.359 1.00 0.19 H new ATOM 0 HD1 PHE B 30 4.334 -1.157 6.008 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.033 2.027 3.268 1.00 1.17 H new ATOM 0 HE1 PHE B 30 4.177 -2.737 4.137 1.00 1.22 H new ATOM 0 HE2 PHE B 30 4.883 0.447 1.394 1.00 1.16 H new ATOM 0 HZ PHE B 30 4.452 -1.939 1.825 1.00 0.25 H new ATOM 1367 N SER B 31 3.820 3.387 8.259 1.00 0.21 N ATOM 1368 CA SER B 31 4.097 4.224 9.413 1.00 0.26 C ATOM 1369 C SER B 31 3.239 3.787 10.599 1.00 0.25 C ATOM 1370 O SER B 31 3.686 3.822 11.739 1.00 0.27 O ATOM 1371 CB SER B 31 3.847 5.699 9.085 1.00 0.35 C ATOM 1372 OG SER B 31 4.340 6.542 10.115 1.00 1.15 O ATOM 0 H SER B 31 3.375 3.872 7.480 1.00 0.21 H new ATOM 0 HA SER B 31 5.148 4.109 9.680 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.330 5.952 8.141 1.00 0.35 H new ATOM 0 HB3 SER B 31 2.779 5.869 8.952 1.00 0.35 H new ATOM 0 HG SER B 31 4.170 7.478 9.881 1.00 1.15 H new ATOM 1378 N SER B 32 2.015 3.352 10.320 1.00 0.27 N ATOM 1379 CA SER B 32 1.113 2.872 11.361 1.00 0.30 C ATOM 1380 C SER B 32 1.672 1.605 12.012 1.00 0.28 C ATOM 1381 O SER B 32 1.469 1.363 13.206 1.00 0.36 O ATOM 1382 CB SER B 32 -0.278 2.603 10.775 1.00 0.40 C ATOM 1383 OG SER B 32 -1.202 2.219 11.782 1.00 0.99 O ATOM 0 H SER B 32 1.624 3.322 9.379 1.00 0.27 H new ATOM 0 HA SER B 32 1.026 3.643 12.127 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.640 3.498 10.270 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.211 1.817 10.022 1.00 0.40 H new ATOM 0 HG SER B 32 -2.079 2.056 11.376 1.00 0.99 H new ATOM 1389 N ILE B 33 2.390 0.809 11.226 1.00 0.24 N ATOM 1390 CA ILE B 33 3.001 -0.415 11.729 1.00 0.27 C ATOM 1391 C ILE B 33 4.038 -0.096 12.803 1.00 0.26 C ATOM 1392 O ILE B 33 4.022 -0.674 13.890 1.00 0.32 O ATOM 1393 CB ILE B 33 3.679 -1.224 10.602 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.686 -1.543 9.486 1.00 0.30 C ATOM 1395 CG2 ILE B 33 4.274 -2.509 11.154 1.00 0.44 C ATOM 1396 CD1 ILE B 33 3.298 -2.328 8.344 1.00 0.34 C ATOM 0 H ILE B 33 2.563 0.990 10.237 1.00 0.24 H new ATOM 0 HA ILE B 33 2.199 -1.017 12.155 1.00 0.27 H new ATOM 0 HB ILE B 33 4.481 -0.614 10.185 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.853 -2.110 9.902 1.00 0.30 H new ATOM 0 HG13 ILE B 33 2.275 -0.611 9.098 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.748 -3.067 10.346 1.00 0.44 H new ATOM 0 HG22 ILE B 33 5.018 -2.269 11.914 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.484 -3.114 11.598 1.00 0.44 H new ATOM 0 HD11 ILE B 33 2.538 -2.520 7.586 1.00 0.34 H new ATOM 0 HD12 ILE B 33 4.113 -1.754 7.903 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.684 -3.276 8.720 1.00 0.34 H new ATOM 1403 N VAL B 34 4.934 0.835 12.501 1.00 0.25 N ATOM 1404 CA VAL B 34 5.980 1.213 13.444 1.00 0.31 C ATOM 1405 C VAL B 34 5.426 2.130 14.531 1.00 0.37 C ATOM 1406 O VAL B 34 5.967 2.193 15.635 1.00 0.47 O ATOM 1407 CB VAL B 34 7.181 1.891 12.741 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.842 0.927 11.766 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.756 3.162 12.023 1.00 0.33 C ATOM 0 H VAL B 34 4.958 1.340 11.615 1.00 0.25 H new ATOM 0 HA VAL B 34 6.340 0.292 13.903 1.00 0.31 H new ATOM 0 HB VAL B 34 7.905 2.165 13.509 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.684 1.421 11.281 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.198 0.050 12.306 1.00 0.35 H new ATOM 0 HG13 VAL B 34 7.118 0.619 11.011 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.622 3.614 11.540 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.005 2.921 11.270 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.335 3.864 12.743 1.00 0.33 H new ATOM 1413 N GLU B 35 4.327 2.812 14.215 1.00 0.35 N ATOM 1414 CA GLU B 35 3.657 3.708 15.153 1.00 0.46 C ATOM 1415 C GLU B 35 3.221 2.957 16.410 1.00 0.51 C ATOM 1416 O GLU B 35 3.321 3.473 17.523 1.00 0.62 O ATOM 1417 CB GLU B 35 2.442 4.346 14.473 1.00 0.51 C ATOM 1418 CG GLU B 35 1.719 5.383 15.317 1.00 0.70 C ATOM 1419 CD GLU B 35 0.493 5.937 14.620 1.00 1.49 C ATOM 1420 OE1 GLU B 35 0.635 6.890 13.825 1.00 2.22 O ATOM 1421 OE2 GLU B 35 -0.623 5.422 14.862 1.00 2.19 O ATOM 0 H GLU B 35 3.877 2.759 13.301 1.00 0.35 H new ATOM 0 HA GLU B 35 4.358 4.487 15.451 1.00 0.46 H new ATOM 0 HB2 GLU B 35 2.766 4.814 13.544 1.00 0.51 H new ATOM 0 HB3 GLU B 35 1.737 3.559 14.204 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.424 4.935 16.266 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.402 6.200 15.550 1.00 0.70 H new ATOM 1428 N LYS B 36 2.746 1.733 16.225 1.00 0.47 N ATOM 1429 CA LYS B 36 2.303 0.912 17.346 1.00 0.55 C ATOM 1430 C LYS B 36 3.357 -0.129 17.708 1.00 0.51 C ATOM 1431 O LYS B 36 3.154 -0.949 18.602 1.00 0.61 O ATOM 1432 CB LYS B 36 0.986 0.213 17.006 1.00 0.67 C ATOM 1433 CG LYS B 36 1.090 -0.725 15.813 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.211 -1.466 15.553 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.329 -0.525 15.130 1.00 1.42 C ATOM 1436 NZ LYS B 36 -0.996 0.207 13.879 1.00 2.08 N ATOM 0 H LYS B 36 2.657 1.287 15.312 1.00 0.47 H new ATOM 0 HA LYS B 36 2.151 1.568 18.203 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.648 -0.352 17.875 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.226 0.967 16.801 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.365 -0.154 14.926 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.889 -1.446 15.988 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.053 -2.214 14.776 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.510 -2.001 16.454 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -2.247 -1.095 14.984 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -1.522 0.191 15.929 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.797 0.812 13.607 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -0.154 0.797 14.036 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.804 -0.475 13.118 1.00 2.08 H new ATOM 1450 N LYS B 37 4.485 -0.067 17.001 1.00 0.48 N ATOM 1451 CA LYS B 37 5.555 -1.057 17.117 1.00 0.55 C ATOM 1452 C LYS B 37 5.000 -2.466 16.907 1.00 0.59 C ATOM 1453 O LYS B 37 5.121 -3.342 17.761 1.00 0.76 O ATOM 1454 CB LYS B 37 6.273 -0.939 18.468 1.00 0.72 C ATOM 1455 CG LYS B 37 7.578 -1.721 18.541 1.00 1.19 C ATOM 1456 CD LYS B 37 8.548 -1.293 17.449 1.00 1.42 C ATOM 1457 CE LYS B 37 9.900 -1.979 17.590 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.810 -3.458 17.443 1.00 2.60 N ATOM 0 H LYS B 37 4.683 0.674 16.329 1.00 0.48 H new ATOM 0 HA LYS B 37 6.291 -0.860 16.338 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.479 0.112 18.669 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.606 -1.290 19.255 1.00 0.72 H new ATOM 0 HG2 LYS B 37 8.039 -1.571 19.517 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.370 -2.787 18.447 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.122 -1.527 16.473 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.684 -0.212 17.487 1.00 1.42 H new ATOM 0 HE2 LYS B 37 10.584 -1.584 16.839 1.00 1.99 H new ATOM 0 HE3 LYS B 37 10.325 -1.740 18.565 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.768 -3.861 17.395 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 9.307 -3.858 18.261 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.293 -3.689 16.571 1.00 2.60 H new ATOM 1472 N GLU B 38 4.396 -2.669 15.748 1.00 0.54 N ATOM 1473 CA GLU B 38 3.792 -3.943 15.398 1.00 0.69 C ATOM 1474 C GLU B 38 4.856 -4.859 14.828 1.00 0.69 C ATOM 1475 O GLU B 38 4.832 -6.076 15.006 1.00 1.03 O ATOM 1476 CB GLU B 38 2.693 -3.715 14.357 1.00 0.79 C ATOM 1477 CG GLU B 38 2.043 -4.986 13.844 1.00 1.35 C ATOM 1478 CD GLU B 38 1.068 -5.582 14.832 1.00 1.41 C ATOM 1479 OE1 GLU B 38 1.509 -6.238 15.793 1.00 2.11 O ATOM 1480 OE2 GLU B 38 -0.150 -5.410 14.635 1.00 1.86 O ATOM 0 H GLU B 38 4.311 -1.956 15.024 1.00 0.54 H new ATOM 0 HA GLU B 38 3.356 -4.402 16.286 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.923 -3.078 14.793 1.00 0.79 H new ATOM 0 HB3 GLU B 38 3.116 -3.171 13.512 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.523 -4.772 12.910 1.00 1.35 H new ATOM 0 HG3 GLU B 38 2.817 -5.719 13.617 1.00 1.35 H new ATOM 1487 N ILE B 39 5.807 -4.242 14.159 1.00 0.42 N ATOM 1488 CA ILE B 39 6.830 -4.971 13.438 1.00 0.43 C ATOM 1489 C ILE B 39 8.151 -4.949 14.206 1.00 0.48 C ATOM 1490 O ILE B 39 8.395 -4.052 15.021 1.00 0.52 O ATOM 1491 CB ILE B 39 7.005 -4.370 12.028 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.756 -5.334 11.114 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.721 -3.027 12.096 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.722 -4.923 9.661 1.00 0.47 C ATOM 0 H ILE B 39 5.893 -3.227 14.099 1.00 0.42 H new ATOM 0 HA ILE B 39 6.519 -6.011 13.339 1.00 0.43 H new ATOM 0 HB ILE B 39 6.013 -4.207 11.607 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.793 -5.402 11.442 1.00 0.46 H new ATOM 0 HG13 ILE B 39 7.324 -6.330 11.214 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.833 -2.623 11.090 1.00 0.36 H new ATOM 0 HG22 ILE B 39 7.138 -2.334 12.703 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.705 -3.162 12.544 1.00 0.36 H new ATOM 0 HD11 ILE B 39 8.274 -5.649 9.064 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.688 -4.882 9.318 1.00 0.47 H new ATOM 0 HD13 ILE B 39 8.180 -3.940 9.550 1.00 0.47 H new ATOM 1501 N SER B 40 8.986 -5.948 13.958 1.00 0.55 N ATOM 1502 CA SER B 40 10.254 -6.067 14.651 1.00 0.62 C ATOM 1503 C SER B 40 11.306 -5.158 14.018 1.00 0.53 C ATOM 1504 O SER B 40 11.030 -4.469 13.033 1.00 0.48 O ATOM 1505 CB SER B 40 10.724 -7.526 14.652 1.00 0.77 C ATOM 1506 OG SER B 40 11.850 -7.706 15.495 1.00 1.82 O ATOM 0 H SER B 40 8.805 -6.688 13.280 1.00 0.55 H new ATOM 0 HA SER B 40 10.114 -5.749 15.684 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.911 -8.171 14.985 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.976 -7.829 13.636 1.00 0.77 H new ATOM 0 HG SER B 40 12.126 -8.646 15.476 1.00 1.82 H new ATOM 1512 N GLU B 41 12.505 -5.174 14.580 1.00 0.59 N ATOM 1513 CA GLU B 41 13.561 -4.240 14.205 1.00 0.60 C ATOM 1514 C GLU B 41 13.908 -4.344 12.723 1.00 0.49 C ATOM 1515 O GLU B 41 13.936 -3.337 12.015 1.00 0.46 O ATOM 1516 CB GLU B 41 14.804 -4.497 15.052 1.00 0.78 C ATOM 1517 CG GLU B 41 14.514 -4.605 16.542 1.00 1.08 C ATOM 1518 CD GLU B 41 13.721 -3.428 17.073 1.00 1.44 C ATOM 1519 OE1 GLU B 41 14.275 -2.308 17.126 1.00 1.99 O ATOM 1520 OE2 GLU B 41 12.542 -3.618 17.442 1.00 2.19 O ATOM 0 H GLU B 41 12.776 -5.834 15.309 1.00 0.59 H new ATOM 0 HA GLU B 41 13.195 -3.230 14.388 1.00 0.60 H new ATOM 0 HB2 GLU B 41 15.279 -5.418 14.715 1.00 0.78 H new ATOM 0 HB3 GLU B 41 15.519 -3.691 14.887 1.00 0.78 H new ATOM 0 HG2 GLU B 41 13.962 -5.525 16.734 1.00 1.08 H new ATOM 0 HG3 GLU B 41 15.456 -4.678 17.086 1.00 1.08 H new ATOM 1527 N ASP B 42 14.158 -5.566 12.258 1.00 0.52 N ATOM 1528 CA ASP B 42 14.523 -5.802 10.862 1.00 0.51 C ATOM 1529 C ASP B 42 13.463 -5.247 9.920 1.00 0.43 C ATOM 1530 O ASP B 42 13.778 -4.542 8.960 1.00 0.47 O ATOM 1531 CB ASP B 42 14.714 -7.298 10.597 1.00 0.61 C ATOM 1532 CG ASP B 42 14.987 -7.594 9.135 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.151 -7.450 8.702 1.00 2.20 O ATOM 1534 OD2 ASP B 42 14.042 -7.970 8.412 1.00 2.29 O ATOM 0 H ASP B 42 14.114 -6.410 12.829 1.00 0.52 H new ATOM 0 HA ASP B 42 15.464 -5.285 10.675 1.00 0.51 H new ATOM 0 HB2 ASP B 42 15.542 -7.669 11.201 1.00 0.61 H new ATOM 0 HB3 ASP B 42 13.822 -7.838 10.914 1.00 0.61 H new ATOM 1539 N GLY B 43 12.209 -5.559 10.209 1.00 0.39 N ATOM 1540 CA GLY B 43 11.118 -5.086 9.387 1.00 0.37 C ATOM 1541 C GLY B 43 10.975 -3.579 9.435 1.00 0.34 C ATOM 1542 O GLY B 43 10.791 -2.938 8.406 1.00 0.34 O ATOM 0 H GLY B 43 11.928 -6.135 11.003 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.279 -5.401 8.356 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.188 -5.548 9.720 1.00 0.37 H new ATOM 1546 N ALA B 44 11.076 -3.013 10.630 1.00 0.33 N ATOM 1547 CA ALA B 44 10.951 -1.572 10.805 1.00 0.33 C ATOM 1548 C ALA B 44 12.045 -0.837 10.039 1.00 0.32 C ATOM 1549 O ALA B 44 11.776 0.127 9.322 1.00 0.31 O ATOM 1550 CB ALA B 44 11.006 -1.209 12.281 1.00 0.38 C ATOM 0 H ALA B 44 11.244 -3.530 11.493 1.00 0.33 H new ATOM 0 HA ALA B 44 9.985 -1.263 10.405 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.911 -0.129 12.394 1.00 0.38 H new ATOM 0 HB2 ALA B 44 10.189 -1.702 12.808 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.957 -1.536 12.701 1.00 0.38 H new ATOM 1556 N ASP B 45 13.274 -1.317 10.181 1.00 0.36 N ATOM 1557 CA ASP B 45 14.424 -0.685 9.545 1.00 0.38 C ATOM 1558 C ASP B 45 14.355 -0.808 8.025 1.00 0.36 C ATOM 1559 O ASP B 45 14.682 0.135 7.304 1.00 0.37 O ATOM 1560 CB ASP B 45 15.724 -1.298 10.064 1.00 0.48 C ATOM 1561 CG ASP B 45 16.950 -0.624 9.484 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.271 0.508 9.904 1.00 1.81 O ATOM 1563 OD2 ASP B 45 17.605 -1.227 8.611 1.00 1.84 O ATOM 0 H ASP B 45 13.501 -2.144 10.733 1.00 0.36 H new ATOM 0 HA ASP B 45 14.404 0.375 9.800 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.750 -1.222 11.151 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.746 -2.360 9.818 1.00 0.48 H new ATOM 1568 N SER B 46 13.914 -1.961 7.536 1.00 0.37 N ATOM 1569 CA SER B 46 13.784 -2.162 6.101 1.00 0.40 C ATOM 1570 C SER B 46 12.636 -1.319 5.541 1.00 0.36 C ATOM 1571 O SER B 46 12.695 -0.851 4.404 1.00 0.38 O ATOM 1572 CB SER B 46 13.599 -3.648 5.770 1.00 0.50 C ATOM 1573 OG SER B 46 12.593 -4.241 6.573 1.00 0.98 O ATOM 0 H SER B 46 13.643 -2.762 8.106 1.00 0.37 H new ATOM 0 HA SER B 46 14.706 -1.832 5.623 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.336 -3.757 4.718 1.00 0.50 H new ATOM 0 HB3 SER B 46 14.542 -4.175 5.919 1.00 0.50 H new ATOM 0 HG SER B 46 13.006 -4.663 7.355 1.00 0.98 H new ATOM 1579 N LEU B 47 11.603 -1.102 6.350 1.00 0.32 N ATOM 1580 CA LEU B 47 10.517 -0.211 5.964 1.00 0.30 C ATOM 1581 C LEU B 47 11.006 1.231 5.893 1.00 0.27 C ATOM 1582 O LEU B 47 10.464 2.040 5.148 1.00 0.28 O ATOM 1583 CB LEU B 47 9.340 -0.308 6.941 1.00 0.30 C ATOM 1584 CG LEU B 47 8.538 -1.609 6.880 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.412 -1.584 7.903 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.983 -1.831 5.481 1.00 0.41 C ATOM 0 H LEU B 47 11.496 -1.528 7.270 1.00 0.32 H new ATOM 0 HA LEU B 47 10.173 -0.523 4.978 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.721 -0.184 7.955 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.663 0.525 6.751 1.00 0.30 H new ATOM 0 HG LEU B 47 9.205 -2.438 7.118 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.850 -2.516 7.848 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.831 -1.471 8.903 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.747 -0.746 7.692 1.00 0.39 H new ATOM 0 HD21 LEU B 47 7.416 -2.761 5.458 1.00 0.41 H new ATOM 0 HD22 LEU B 47 7.330 -1.001 5.213 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.806 -1.890 4.768 1.00 0.41 H new ATOM 1598 N ASN B 48 12.039 1.544 6.665 1.00 0.26 N ATOM 1599 CA ASN B 48 12.601 2.889 6.678 1.00 0.26 C ATOM 1600 C ASN B 48 13.280 3.211 5.353 1.00 0.27 C ATOM 1601 O ASN B 48 13.028 4.259 4.761 1.00 0.32 O ATOM 1602 CB ASN B 48 13.597 3.057 7.830 1.00 0.28 C ATOM 1603 CG ASN B 48 12.928 3.122 9.190 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.475 2.634 10.180 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.763 3.750 9.259 1.00 0.40 N ATOM 0 H ASN B 48 12.504 0.886 7.290 1.00 0.26 H new ATOM 0 HA ASN B 48 11.777 3.587 6.825 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.301 2.225 7.818 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.176 3.967 7.672 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.286 3.843 10.156 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.343 4.140 8.415 1.00 0.40 H new ATOM 1612 N VAL B 49 14.134 2.308 4.879 1.00 0.27 N ATOM 1613 CA VAL B 49 14.805 2.513 3.599 1.00 0.29 C ATOM 1614 C VAL B 49 13.794 2.440 2.455 1.00 0.29 C ATOM 1615 O VAL B 49 13.908 3.157 1.461 1.00 0.32 O ATOM 1616 CB VAL B 49 15.962 1.504 3.367 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.460 0.070 3.337 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.719 1.831 2.087 1.00 0.36 C ATOM 0 H VAL B 49 14.376 1.438 5.354 1.00 0.27 H new ATOM 0 HA VAL B 49 15.251 3.507 3.624 1.00 0.29 H new ATOM 0 HB VAL B 49 16.647 1.598 4.209 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.299 -0.606 3.173 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.983 -0.168 4.288 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.737 -0.046 2.529 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.525 1.110 1.946 1.00 0.36 H new ATOM 0 HG22 VAL B 49 16.037 1.783 1.238 1.00 0.36 H new ATOM 0 HG23 VAL B 49 17.138 2.834 2.159 1.00 0.36 H new ATOM 1622 N ALA B 50 12.786 1.589 2.619 1.00 0.30 N ATOM 1623 CA ALA B 50 11.718 1.471 1.638 1.00 0.34 C ATOM 1624 C ALA B 50 10.877 2.741 1.607 1.00 0.33 C ATOM 1625 O ALA B 50 10.379 3.137 0.556 1.00 0.37 O ATOM 1626 CB ALA B 50 10.844 0.265 1.949 1.00 0.37 C ATOM 0 H ALA B 50 12.688 0.971 3.424 1.00 0.30 H new ATOM 0 HA ALA B 50 12.167 1.331 0.655 1.00 0.34 H new ATOM 0 HB1 ALA B 50 10.050 0.190 1.206 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.451 -0.640 1.924 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.405 0.380 2.940 1.00 0.37 H new ATOM 1632 N MET B 51 10.742 3.377 2.764 1.00 0.34 N ATOM 1633 CA MET B 51 9.949 4.594 2.903 1.00 0.39 C ATOM 1634 C MET B 51 10.460 5.678 1.965 1.00 0.31 C ATOM 1635 O MET B 51 9.697 6.249 1.184 1.00 0.30 O ATOM 1636 CB MET B 51 10.011 5.092 4.347 1.00 0.52 C ATOM 1637 CG MET B 51 8.922 6.090 4.704 1.00 0.62 C ATOM 1638 SD MET B 51 7.270 5.395 4.525 1.00 0.65 S ATOM 1639 CE MET B 51 7.482 3.813 5.340 1.00 0.41 C ATOM 0 H MET B 51 11.178 3.065 3.632 1.00 0.34 H new ATOM 0 HA MET B 51 8.916 4.365 2.641 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.940 4.237 5.019 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.983 5.553 4.520 1.00 0.52 H new ATOM 0 HG2 MET B 51 9.063 6.426 5.731 1.00 0.62 H new ATOM 0 HG3 MET B 51 9.015 6.969 4.066 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.541 3.512 5.801 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.783 3.064 4.608 1.00 0.41 H new ATOM 0 HE3 MET B 51 8.251 3.899 6.108 1.00 0.41 H new ATOM 1649 N ASP B 52 11.761 5.935 2.037 1.00 0.31 N ATOM 1650 CA ASP B 52 12.397 6.942 1.194 1.00 0.32 C ATOM 1651 C ASP B 52 12.311 6.558 -0.277 1.00 0.28 C ATOM 1652 O ASP B 52 12.306 7.419 -1.155 1.00 0.30 O ATOM 1653 CB ASP B 52 13.860 7.143 1.598 1.00 0.42 C ATOM 1654 CG ASP B 52 14.010 7.956 2.867 1.00 1.16 C ATOM 1655 OD1 ASP B 52 13.994 9.203 2.782 1.00 1.99 O ATOM 1656 OD2 ASP B 52 14.156 7.356 3.957 1.00 1.84 O ATOM 0 H ASP B 52 12.399 5.458 2.674 1.00 0.31 H new ATOM 0 HA ASP B 52 11.861 7.880 1.338 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.331 6.170 1.737 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.391 7.641 0.787 1.00 0.42 H new ATOM 1661 N CYS B 53 12.250 5.262 -0.542 1.00 0.27 N ATOM 1662 CA CYS B 53 12.102 4.771 -1.904 1.00 0.27 C ATOM 1663 C CYS B 53 10.709 5.095 -2.438 1.00 0.28 C ATOM 1664 O CYS B 53 10.564 5.580 -3.558 1.00 0.36 O ATOM 1665 CB CYS B 53 12.353 3.263 -1.957 1.00 0.36 C ATOM 1666 SG CYS B 53 14.022 2.773 -1.462 1.00 1.05 S ATOM 0 H CYS B 53 12.301 4.531 0.168 1.00 0.27 H new ATOM 0 HA CYS B 53 12.840 5.269 -2.533 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.632 2.763 -1.310 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.169 2.910 -2.972 1.00 0.36 H new ATOM 0 HG CYS B 53 14.093 2.725 -0.165 1.00 1.05 H new ATOM 1672 N ILE B 54 9.692 4.844 -1.620 1.00 0.26 N ATOM 1673 CA ILE B 54 8.308 5.094 -2.008 1.00 0.29 C ATOM 1674 C ILE B 54 8.073 6.585 -2.242 1.00 0.30 C ATOM 1675 O ILE B 54 7.527 6.987 -3.270 1.00 0.33 O ATOM 1676 CB ILE B 54 7.315 4.598 -0.929 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.570 3.125 -0.595 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.877 4.790 -1.403 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.818 2.641 0.630 1.00 0.33 C ATOM 0 H ILE B 54 9.801 4.466 -0.679 1.00 0.26 H new ATOM 0 HA ILE B 54 8.133 4.542 -2.931 1.00 0.29 H new ATOM 0 HB ILE B 54 7.469 5.188 -0.025 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.286 2.513 -1.451 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.638 2.977 -0.437 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.190 4.437 -0.634 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.695 5.848 -1.594 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.717 4.223 -2.320 1.00 0.33 H new ATOM 0 HD11 ILE B 54 7.047 1.590 0.806 1.00 0.33 H new ATOM 0 HD12 ILE B 54 7.120 3.228 1.498 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.746 2.757 0.468 1.00 0.33 H new ATOM 1686 N SER B 55 8.508 7.398 -1.291 1.00 0.30 N ATOM 1687 CA SER B 55 8.291 8.835 -1.349 1.00 0.36 C ATOM 1688 C SER B 55 8.975 9.452 -2.572 1.00 0.38 C ATOM 1689 O SER B 55 8.351 10.191 -3.344 1.00 0.41 O ATOM 1690 CB SER B 55 8.805 9.482 -0.060 1.00 0.40 C ATOM 1691 OG SER B 55 10.139 9.091 0.212 1.00 0.80 O ATOM 0 H SER B 55 9.017 7.084 -0.465 1.00 0.30 H new ATOM 0 HA SER B 55 7.221 9.022 -1.444 1.00 0.36 H new ATOM 0 HB2 SER B 55 8.752 10.567 -0.148 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.163 9.198 0.774 1.00 0.40 H new ATOM 0 HG SER B 55 10.443 9.519 1.039 1.00 0.80 H new ATOM 1697 N GLU B 56 10.245 9.113 -2.762 1.00 0.39 N ATOM 1698 CA GLU B 56 11.040 9.670 -3.851 1.00 0.48 C ATOM 1699 C GLU B 56 10.547 9.157 -5.205 1.00 0.42 C ATOM 1700 O GLU B 56 10.772 9.782 -6.244 1.00 0.45 O ATOM 1701 CB GLU B 56 12.512 9.304 -3.651 1.00 0.59 C ATOM 1702 CG GLU B 56 13.477 10.144 -4.469 1.00 0.82 C ATOM 1703 CD GLU B 56 13.425 11.612 -4.098 1.00 1.81 C ATOM 1704 OE1 GLU B 56 13.688 11.947 -2.921 1.00 2.38 O ATOM 1705 OE2 GLU B 56 13.113 12.441 -4.976 1.00 2.66 O ATOM 0 H GLU B 56 10.749 8.451 -2.172 1.00 0.39 H new ATOM 0 HA GLU B 56 10.932 10.755 -3.842 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.761 9.409 -2.595 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.652 8.254 -3.909 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.491 9.771 -4.324 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.244 10.032 -5.528 1.00 0.82 H new ATOM 1712 N ALA B 57 9.872 8.016 -5.185 1.00 0.38 N ATOM 1713 CA ALA B 57 9.338 7.418 -6.399 1.00 0.39 C ATOM 1714 C ALA B 57 8.162 8.224 -6.945 1.00 0.33 C ATOM 1715 O ALA B 57 8.108 8.534 -8.136 1.00 0.38 O ATOM 1716 CB ALA B 57 8.910 5.984 -6.124 1.00 0.41 C ATOM 0 H ALA B 57 9.681 7.484 -4.336 1.00 0.38 H new ATOM 0 HA ALA B 57 10.124 7.422 -7.154 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.511 5.542 -7.037 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.770 5.406 -5.787 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.142 5.976 -5.351 1.00 0.41 H new ATOM 1722 N PHE B 58 7.233 8.576 -6.068 1.00 0.28 N ATOM 1723 CA PHE B 58 6.009 9.252 -6.485 1.00 0.27 C ATOM 1724 C PHE B 58 6.183 10.765 -6.550 1.00 0.30 C ATOM 1725 O PHE B 58 5.486 11.444 -7.307 1.00 0.38 O ATOM 1726 CB PHE B 58 4.859 8.891 -5.548 1.00 0.27 C ATOM 1727 CG PHE B 58 4.426 7.457 -5.662 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.121 6.454 -5.010 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.325 7.116 -6.426 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.727 5.136 -5.118 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.924 5.800 -6.536 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.626 4.807 -5.882 1.00 0.29 C ATOM 0 H PHE B 58 7.301 8.406 -5.065 1.00 0.28 H new ATOM 0 HA PHE B 58 5.774 8.908 -7.492 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.161 9.091 -4.520 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.008 9.538 -5.762 1.00 0.27 H new ATOM 0 HD1 PHE B 58 5.982 6.706 -4.409 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.773 7.888 -6.942 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.280 4.363 -4.605 1.00 1.22 H new ATOM 0 HE2 PHE B 58 2.061 5.547 -7.134 1.00 1.21 H new ATOM 0 HZ PHE B 58 3.314 3.776 -5.968 1.00 0.29 H new ATOM 1742 N GLY B 59 7.101 11.294 -5.753 1.00 0.33 N ATOM 1743 CA GLY B 59 7.399 12.712 -5.821 1.00 0.38 C ATOM 1744 C GLY B 59 6.850 13.499 -4.649 1.00 0.37 C ATOM 1745 O GLY B 59 6.501 14.672 -4.792 1.00 0.42 O ATOM 0 H GLY B 59 7.642 10.771 -5.064 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.480 12.847 -5.865 1.00 0.38 H new ATOM 0 HA3 GLY B 59 6.989 13.118 -6.746 1.00 0.38 H new ATOM 1749 N PHE B 60 6.777 12.868 -3.490 1.00 0.35 N ATOM 1750 CA PHE B 60 6.336 13.548 -2.282 1.00 0.39 C ATOM 1751 C PHE B 60 7.216 13.125 -1.120 1.00 0.39 C ATOM 1752 O PHE B 60 7.739 12.016 -1.111 1.00 0.42 O ATOM 1753 CB PHE B 60 4.859 13.242 -1.980 1.00 0.40 C ATOM 1754 CG PHE B 60 4.583 11.829 -1.540 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.385 10.822 -2.470 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.512 11.513 -0.191 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.126 9.528 -2.063 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.253 10.221 0.220 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.060 9.226 -0.717 1.00 0.33 C ATOM 0 H PHE B 60 7.017 11.885 -3.359 1.00 0.35 H new ATOM 0 HA PHE B 60 6.424 14.624 -2.432 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.513 13.923 -1.203 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.270 13.451 -2.873 1.00 0.40 H new ATOM 0 HD1 PHE B 60 4.434 11.051 -3.524 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.661 12.288 0.547 1.00 1.21 H new ATOM 0 HE1 PHE B 60 3.975 8.751 -2.798 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.201 9.989 1.274 1.00 1.19 H new ATOM 0 HZ PHE B 60 3.858 8.214 -0.398 1.00 0.33 H new ATOM 1769 N GLU B 61 7.409 14.013 -0.162 1.00 0.47 N ATOM 1770 CA GLU B 61 8.216 13.697 1.003 1.00 0.55 C ATOM 1771 C GLU B 61 7.371 13.011 2.069 1.00 0.50 C ATOM 1772 O GLU B 61 6.146 13.126 2.053 1.00 0.47 O ATOM 1773 CB GLU B 61 8.864 14.962 1.567 1.00 0.70 C ATOM 1774 CG GLU B 61 9.917 15.563 0.648 1.00 0.80 C ATOM 1775 CD GLU B 61 11.081 14.624 0.411 1.00 1.48 C ATOM 1776 OE1 GLU B 61 11.967 14.537 1.290 1.00 2.33 O ATOM 1777 OE2 GLU B 61 11.120 13.967 -0.650 1.00 2.06 O ATOM 0 H GLU B 61 7.020 14.956 -0.167 1.00 0.47 H new ATOM 0 HA GLU B 61 9.007 13.012 0.696 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.089 15.705 1.755 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.322 14.729 2.528 1.00 0.70 H new ATOM 0 HG2 GLU B 61 9.459 15.817 -0.308 1.00 0.80 H new ATOM 0 HG3 GLU B 61 10.286 16.492 1.082 1.00 0.80 H new ATOM 1784 N ARG B 62 8.016 12.303 2.982 1.00 0.53 N ATOM 1785 CA ARG B 62 7.309 11.554 4.018 1.00 0.53 C ATOM 1786 C ARG B 62 6.357 12.459 4.797 1.00 0.52 C ATOM 1787 O ARG B 62 5.181 12.147 4.944 1.00 0.64 O ATOM 1788 CB ARG B 62 8.313 10.897 4.964 1.00 0.62 C ATOM 1789 CG ARG B 62 7.680 10.029 6.040 1.00 1.40 C ATOM 1790 CD ARG B 62 8.716 9.602 7.065 1.00 1.46 C ATOM 1791 NE ARG B 62 9.394 10.762 7.636 1.00 2.25 N ATOM 1792 CZ ARG B 62 10.673 10.787 8.001 1.00 2.60 C ATOM 1793 NH1 ARG B 62 11.412 9.683 7.949 1.00 2.13 N ATOM 1794 NH2 ARG B 62 11.206 11.925 8.425 1.00 3.67 N ATOM 0 H ARG B 62 9.032 12.229 3.030 1.00 0.53 H new ATOM 0 HA ARG B 62 6.714 10.778 3.535 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.001 10.287 4.379 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.906 11.675 5.444 1.00 0.62 H new ATOM 0 HG2 ARG B 62 6.879 10.579 6.533 1.00 1.40 H new ATOM 0 HG3 ARG B 62 7.228 9.148 5.584 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.234 9.031 7.858 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.447 8.943 6.596 1.00 1.46 H new ATOM 0 HE ARG B 62 8.848 11.614 7.764 1.00 2.25 H new ATOM 0 HH11 ARG B 62 10.999 8.808 7.627 1.00 2.13 H new ATOM 0 HH12 ARG B 62 12.392 9.711 8.231 1.00 2.13 H new ATOM 0 HH21 ARG B 62 10.636 12.770 8.469 1.00 3.67 H new ATOM 0 HH22 ARG B 62 12.186 11.955 8.707 1.00 3.67 H new ATOM 1808 N GLU B 63 6.854 13.603 5.247 1.00 0.57 N ATOM 1809 CA GLU B 63 6.045 14.531 6.038 1.00 0.63 C ATOM 1810 C GLU B 63 4.954 15.201 5.198 1.00 0.62 C ATOM 1811 O GLU B 63 4.075 15.878 5.734 1.00 0.74 O ATOM 1812 CB GLU B 63 6.932 15.598 6.686 1.00 0.73 C ATOM 1813 CG GLU B 63 7.520 15.188 8.030 1.00 1.69 C ATOM 1814 CD GLU B 63 8.376 13.940 7.960 1.00 2.52 C ATOM 1815 OE1 GLU B 63 9.580 14.054 7.649 1.00 3.12 O ATOM 1816 OE2 GLU B 63 7.855 12.840 8.233 1.00 3.19 O ATOM 0 H GLU B 63 7.811 13.914 5.080 1.00 0.57 H new ATOM 0 HA GLU B 63 5.555 13.946 6.816 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.747 15.840 6.004 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.347 16.508 6.820 1.00 0.73 H new ATOM 0 HG2 GLU B 63 8.121 16.009 8.421 1.00 1.69 H new ATOM 0 HG3 GLU B 63 6.708 15.023 8.738 1.00 1.69 H new ATOM 1823 N ALA B 64 4.999 14.999 3.888 1.00 0.55 N ATOM 1824 CA ALA B 64 4.037 15.622 2.989 1.00 0.59 C ATOM 1825 C ALA B 64 2.773 14.780 2.851 1.00 0.53 C ATOM 1826 O ALA B 64 1.758 15.255 2.336 1.00 0.56 O ATOM 1827 CB ALA B 64 4.663 15.862 1.623 1.00 0.66 C ATOM 0 H ALA B 64 5.690 14.409 3.425 1.00 0.55 H new ATOM 0 HA ALA B 64 3.753 16.581 3.422 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.931 16.328 0.964 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.526 16.519 1.729 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.982 14.911 1.197 1.00 0.66 H new ATOM 1833 N VAL B 65 2.825 13.536 3.327 1.00 0.50 N ATOM 1834 CA VAL B 65 1.679 12.637 3.223 1.00 0.46 C ATOM 1835 C VAL B 65 0.507 13.156 4.055 1.00 0.52 C ATOM 1836 O VAL B 65 -0.655 12.964 3.695 1.00 0.53 O ATOM 1837 CB VAL B 65 2.031 11.189 3.651 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.474 11.120 5.100 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.856 10.259 3.425 1.00 0.50 C ATOM 0 H VAL B 65 3.642 13.132 3.785 1.00 0.50 H new ATOM 0 HA VAL B 65 1.390 12.612 2.172 1.00 0.46 H new ATOM 0 HB VAL B 65 2.865 10.866 3.028 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.711 10.088 5.359 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.358 11.742 5.240 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.671 11.480 5.743 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.127 9.249 3.733 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.003 10.601 4.012 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.591 10.257 2.368 1.00 0.50 H new ATOM 1843 N SER B 66 0.821 13.843 5.147 1.00 0.62 N ATOM 1844 CA SER B 66 -0.200 14.394 6.023 1.00 0.74 C ATOM 1845 C SER B 66 -1.057 15.410 5.268 1.00 0.75 C ATOM 1846 O SER B 66 -2.280 15.441 5.420 1.00 0.83 O ATOM 1847 CB SER B 66 0.450 15.045 7.248 1.00 0.88 C ATOM 1848 OG SER B 66 -0.527 15.464 8.185 1.00 1.63 O ATOM 0 H SER B 66 1.778 14.031 5.446 1.00 0.62 H new ATOM 0 HA SER B 66 -0.846 13.584 6.362 1.00 0.74 H new ATOM 0 HB2 SER B 66 1.131 14.337 7.721 1.00 0.88 H new ATOM 0 HB3 SER B 66 1.047 15.901 6.934 1.00 0.88 H new ATOM 0 HG SER B 66 -0.085 15.874 8.957 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.409 16.226 4.442 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.125 17.201 3.644 1.00 0.74 C ATOM 1856 C GLY B 67 -1.979 16.544 2.580 1.00 0.69 C ATOM 1857 O GLY B 67 -3.088 17.002 2.290 1.00 0.74 O ATOM 0 H GLY B 67 0.603 16.228 4.312 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.757 17.807 4.293 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.412 17.877 3.171 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.462 15.461 2.007 1.00 0.61 N ATOM 1862 CA ILE B 68 -2.190 14.700 0.999 1.00 0.58 C ATOM 1863 C ILE B 68 -3.462 14.114 1.601 1.00 0.62 C ATOM 1864 O ILE B 68 -4.553 14.274 1.056 1.00 0.70 O ATOM 1865 CB ILE B 68 -1.331 13.552 0.419 1.00 0.50 C ATOM 1866 CG1 ILE B 68 -0.030 14.103 -0.173 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -2.114 12.779 -0.636 1.00 0.49 C ATOM 1868 CD1 ILE B 68 0.887 13.035 -0.732 1.00 0.45 C ATOM 0 H ILE B 68 -0.537 15.090 2.226 1.00 0.61 H new ATOM 0 HA ILE B 68 -2.440 15.387 0.191 1.00 0.58 H new ATOM 0 HB ILE B 68 -1.078 12.867 1.229 1.00 0.50 H new ATOM 0 HG12 ILE B 68 -0.273 14.811 -0.965 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.503 14.659 0.599 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -1.494 11.975 -1.033 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -3.012 12.356 -0.185 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -2.397 13.452 -1.445 1.00 0.49 H new ATOM 0 HD11 ILE B 68 1.787 13.502 -1.133 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.162 12.340 0.061 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.373 12.494 -1.527 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.316 13.476 2.754 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.435 12.816 3.417 1.00 0.66 C ATOM 1877 C LEU B 69 -5.387 13.829 4.056 1.00 0.84 C ATOM 1878 O LEU B 69 -6.383 13.461 4.678 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.911 11.829 4.462 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.010 10.724 3.899 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.534 9.801 5.007 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.743 9.930 2.827 1.00 0.45 C ATOM 0 H LEU B 69 -2.429 13.401 3.253 1.00 0.61 H new ATOM 0 HA LEU B 69 -5.003 12.269 2.664 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.356 12.382 5.219 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.761 11.367 4.964 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.138 11.195 3.446 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.896 9.024 4.585 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.969 10.375 5.741 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.395 9.340 5.491 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.087 9.150 2.439 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.634 9.474 3.258 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -4.033 10.597 2.015 1.00 0.45 H new ATOM 1894 N GLY B 70 -5.076 15.104 3.900 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.990 16.139 4.323 1.00 0.93 C ATOM 1896 C GLY B 70 -6.941 16.518 3.208 1.00 0.98 C ATOM 1897 O GLY B 70 -8.150 16.635 3.418 1.00 1.24 O ATOM 0 H GLY B 70 -4.206 15.441 3.488 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.558 15.795 5.188 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.428 17.018 4.639 1.00 0.93 H new ATOM 1901 N LYS B 71 -6.393 16.672 2.008 1.00 0.86 N ATOM 1902 CA LYS B 71 -7.177 17.091 0.852 1.00 0.97 C ATOM 1903 C LYS B 71 -7.866 15.902 0.185 1.00 0.98 C ATOM 1904 O LYS B 71 -9.032 15.990 -0.198 1.00 1.25 O ATOM 1905 CB LYS B 71 -6.288 17.822 -0.161 1.00 1.11 C ATOM 1906 CG LYS B 71 -5.078 17.016 -0.615 1.00 1.68 C ATOM 1907 CD LYS B 71 -4.285 17.731 -1.698 1.00 2.11 C ATOM 1908 CE LYS B 71 -3.722 19.056 -1.208 1.00 2.60 C ATOM 1909 NZ LYS B 71 -2.852 19.695 -2.229 1.00 3.15 N ATOM 0 H LYS B 71 -5.405 16.512 1.810 1.00 0.86 H new ATOM 0 HA LYS B 71 -7.950 17.774 1.205 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -6.887 18.083 -1.034 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.944 18.757 0.281 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -4.430 16.824 0.240 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -5.409 16.047 -0.989 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -3.468 17.091 -2.032 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -4.926 17.906 -2.562 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -4.542 19.729 -0.956 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -3.151 18.893 -0.294 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -2.487 20.596 -1.859 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -2.056 19.064 -2.451 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -3.404 19.873 -3.092 1.00 3.15 H new ATOM 1923 N SER B 72 -7.148 14.792 0.059 1.00 0.91 N ATOM 1924 CA SER B 72 -7.660 13.612 -0.625 1.00 1.08 C ATOM 1925 C SER B 72 -8.814 12.971 0.142 1.00 1.03 C ATOM 1926 O SER B 72 -8.896 13.066 1.367 1.00 1.20 O ATOM 1927 CB SER B 72 -6.530 12.602 -0.814 1.00 1.29 C ATOM 1928 OG SER B 72 -5.494 13.152 -1.605 1.00 2.02 O ATOM 0 H SER B 72 -6.202 14.685 0.425 1.00 0.91 H new ATOM 0 HA SER B 72 -8.044 13.923 -1.597 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.134 12.306 0.157 1.00 1.29 H new ATOM 0 HB3 SER B 72 -6.917 11.700 -1.289 1.00 1.29 H new ATOM 0 HG SER B 72 -5.795 13.222 -2.535 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.697 12.308 -0.605 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.895 11.685 -0.046 1.00 1.30 C ATOM 1936 C GLU B 73 -10.538 10.458 0.780 1.00 1.26 C ATOM 1937 O GLU B 73 -11.366 9.934 1.519 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.845 11.270 -1.174 1.00 1.67 C ATOM 1939 CG GLU B 73 -12.167 12.386 -2.155 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.965 13.506 -1.531 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.354 14.434 -0.965 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -14.205 13.473 -1.615 1.00 2.64 O ATOM 0 H GLU B 73 -9.601 12.188 -1.613 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.382 12.415 0.600 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -11.402 10.437 -1.720 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.774 10.906 -0.736 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -11.237 12.789 -2.556 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -12.725 11.974 -2.996 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.310 9.996 0.626 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.828 8.838 1.359 1.00 1.02 C ATOM 1951 C PHE B 74 -8.588 9.194 2.819 1.00 1.07 C ATOM 1952 O PHE B 74 -9.083 8.518 3.723 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.536 8.330 0.723 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.700 7.929 -0.714 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.491 6.846 -1.054 1.00 1.18 C ATOM 1956 CD2 PHE B 74 -7.074 8.641 -1.724 1.00 1.61 C ATOM 1957 CE1 PHE B 74 -8.653 6.478 -2.373 1.00 1.25 C ATOM 1958 CE2 PHE B 74 -7.234 8.277 -3.047 1.00 1.70 C ATOM 1959 CZ PHE B 74 -8.025 7.194 -3.372 1.00 1.19 C ATOM 0 H PHE B 74 -8.623 10.409 -0.005 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.583 8.053 1.316 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.775 9.108 0.792 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.170 7.475 1.292 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -8.987 6.283 -0.278 1.00 1.18 H new ATOM 0 HD2 PHE B 74 -6.454 9.490 -1.475 1.00 1.61 H new ATOM 0 HE1 PHE B 74 -9.272 5.629 -2.624 1.00 1.25 H new ATOM 0 HE2 PHE B 74 -6.741 8.839 -3.826 1.00 1.70 H new ATOM 0 HZ PHE B 74 -8.152 6.907 -4.405 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.273 3.858 8.392 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.391 2.709 8.338 1.00 0.85 C ATOM 2017 C HIS B 78 -6.624 1.959 7.038 1.00 0.69 C ATOM 2018 O HIS B 78 -7.755 1.582 6.717 1.00 0.68 O ATOM 2019 CB HIS B 78 -6.617 1.785 9.539 1.00 1.02 C ATOM 2020 CG HIS B 78 -6.228 2.397 10.851 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -7.099 2.524 11.911 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -5.050 2.916 11.273 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -6.475 3.093 12.926 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -5.231 3.340 12.565 1.00 1.85 N ATOM 0 HA HIS B 78 -5.358 3.055 8.378 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -7.669 1.504 9.577 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -6.047 0.867 9.393 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -4.138 2.983 10.699 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -6.910 3.318 13.889 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -4.519 3.776 13.151 1.00 1.85 H new ATOM 2033 N LEU B 79 -5.536 1.757 6.298 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.578 1.159 4.964 1.00 0.46 C ATOM 2035 C LEU B 79 -6.266 -0.199 4.981 1.00 0.44 C ATOM 2036 O LEU B 79 -6.932 -0.575 4.024 1.00 0.42 O ATOM 2037 CB LEU B 79 -4.153 1.018 4.414 1.00 0.44 C ATOM 2038 CG LEU B 79 -4.035 0.376 3.028 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.692 1.249 1.970 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.575 0.127 2.678 1.00 0.41 C ATOM 0 H LEU B 79 -4.596 2.004 6.607 1.00 0.60 H new ATOM 0 HA LEU B 79 -6.157 1.818 4.317 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.699 2.008 4.375 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.568 0.427 5.119 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.555 -0.582 3.052 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.596 0.773 0.994 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.748 1.377 2.208 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -4.204 2.223 1.948 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.510 -0.329 1.690 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -2.035 1.074 2.676 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -2.133 -0.542 3.416 1.00 0.41 H new ATOM 2052 N ALA B 80 -6.108 -0.922 6.078 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.707 -2.239 6.217 1.00 0.54 C ATOM 2054 C ALA B 80 -8.230 -2.160 6.197 1.00 0.58 C ATOM 2055 O ALA B 80 -8.882 -2.894 5.460 1.00 0.61 O ATOM 2056 CB ALA B 80 -6.226 -2.892 7.495 1.00 0.63 C ATOM 0 H ALA B 80 -5.568 -0.617 6.888 1.00 0.50 H new ATOM 0 HA ALA B 80 -6.397 -2.847 5.367 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -6.679 -3.879 7.592 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -5.141 -2.992 7.466 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -6.511 -2.276 8.348 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.788 -1.253 6.995 1.00 0.64 N ATOM 2063 CA ASP B 81 -10.239 -1.077 7.063 1.00 0.70 C ATOM 2064 C ASP B 81 -10.784 -0.664 5.703 1.00 0.60 C ATOM 2065 O ASP B 81 -11.830 -1.144 5.254 1.00 0.67 O ATOM 2066 CB ASP B 81 -10.604 -0.022 8.109 1.00 0.78 C ATOM 2067 CG ASP B 81 -12.103 0.174 8.233 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -12.764 -0.684 8.855 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -12.625 1.190 7.723 1.00 2.30 O ATOM 0 H ASP B 81 -8.259 -0.628 7.604 1.00 0.64 H new ATOM 0 HA ASP B 81 -10.686 -2.028 7.353 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -10.198 -0.317 9.076 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.137 0.926 7.843 1.00 0.78 H new ATOM 2074 N ILE B 82 -10.046 0.225 5.054 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.360 0.668 3.704 1.00 0.44 C ATOM 2076 C ILE B 82 -10.438 -0.523 2.749 1.00 0.48 C ATOM 2077 O ILE B 82 -11.391 -0.660 1.982 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.292 1.670 3.212 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.418 2.988 3.982 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.404 1.899 1.711 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.350 4.002 3.634 1.00 0.61 C ATOM 0 H ILE B 82 -9.212 0.660 5.449 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.332 1.162 3.722 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.305 1.248 3.404 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.398 3.423 3.782 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.374 2.779 5.051 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -8.640 2.608 1.393 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.262 0.954 1.187 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.391 2.299 1.477 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.505 4.909 4.219 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.367 3.588 3.860 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.407 4.241 2.572 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.443 -1.392 2.828 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.380 -2.578 1.984 1.00 0.52 C ATOM 2090 C LEU B 83 -10.485 -3.572 2.344 1.00 0.69 C ATOM 2091 O LEU B 83 -11.038 -4.240 1.471 1.00 0.83 O ATOM 2092 CB LEU B 83 -8.001 -3.232 2.112 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.940 -2.748 1.116 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.934 -1.233 1.006 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.565 -3.250 1.532 1.00 0.43 C ATOM 0 H LEU B 83 -8.660 -1.298 3.475 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.535 -2.275 0.949 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.630 -3.060 3.122 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -8.118 -4.309 1.995 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.189 -3.154 0.135 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.171 -0.923 0.292 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.911 -0.889 0.665 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.716 -0.798 1.982 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.819 -2.901 0.818 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.324 -2.869 2.525 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.566 -4.340 1.552 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.817 -3.649 3.629 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.880 -4.540 4.102 1.00 0.94 C ATOM 2109 C ASN B 84 -13.242 -4.095 3.586 1.00 0.97 C ATOM 2110 O ASN B 84 -14.219 -4.840 3.658 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.917 -4.588 5.632 1.00 1.03 C ATOM 2112 CG ASN B 84 -10.716 -5.286 6.235 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -10.119 -6.170 5.621 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -10.366 -4.901 7.452 1.00 1.79 N ATOM 0 H ASN B 84 -10.366 -3.106 4.365 1.00 0.74 H new ATOM 0 HA ASN B 84 -11.659 -5.535 3.715 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -11.971 -3.571 6.020 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -12.825 -5.100 5.951 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -9.573 -5.341 7.918 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -10.890 -4.164 7.924 1.00 1.79 H new ATOM 2121 N SER B 85 -13.303 -2.876 3.073 1.00 0.87 N ATOM 2122 CA SER B 85 -14.542 -2.334 2.538 1.00 0.93 C ATOM 2123 C SER B 85 -14.780 -2.816 1.102 1.00 0.91 C ATOM 2124 O SER B 85 -15.848 -2.593 0.532 1.00 1.01 O ATOM 2125 CB SER B 85 -14.496 -0.807 2.589 1.00 0.97 C ATOM 2126 OG SER B 85 -14.179 -0.359 3.900 1.00 1.50 O ATOM 0 H SER B 85 -12.506 -2.242 3.016 1.00 0.87 H new ATOM 0 HA SER B 85 -15.372 -2.690 3.149 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.753 -0.437 1.883 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.459 -0.398 2.282 1.00 0.97 H new ATOM 0 HG SER B 85 -13.271 -0.644 4.132 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.783 -3.485 0.530 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.888 -4.007 -0.829 1.00 0.95 C ATOM 2134 C ALA B 86 -14.509 -5.404 -0.830 1.00 1.14 C ATOM 2135 O ALA B 86 -14.949 -5.898 0.210 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.517 -4.033 -1.485 1.00 1.09 C ATOM 0 H ALA B 86 -12.892 -3.679 0.987 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.540 -3.348 -1.402 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.606 -4.424 -2.499 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.111 -3.022 -1.520 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.849 -4.672 -0.907 1.00 1.09 H new