USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot 180:sc=-0.00235 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -158:sc= -0.0898 (180deg=-0.513) USER MOD Single : A 22 THR OG1 : rot -24:sc= 0.595 USER MOD Single : A 25 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.68) USER MOD Single : A 26 THR OG1 : rot 91:sc= 0.119 USER MOD Single : A 29 SER OG : rot -127:sc= 0.283 USER MOD Single : A 30 GLN : amide:sc= -3.57! C(o=-3.6!,f=-9.6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.156 (180deg=-0.772) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0864 K(o=-0.086,f=-0.77) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.87 K(o=-1.9,f=-5) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0195 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 82 GLN : amide:sc= -0.038 K(o=-0.038,f=-1.9!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.474 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -4 K(o=-4,f=-6.2!) USER MOD Single : A 100 ASN : amide:sc= -0.647 X(o=-0.65,f=-0.69) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 58:sc= 0.0386 USER MOD Single : A 111 GLN : amide:sc= -0.0722 K(o=-0.072,f=-1.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 1.965 3.910 -2.084 1.00 40.30 N ATOM 2 CA THR A 22 2.370 3.557 -3.439 1.00 32.43 C ATOM 3 C THR A 22 1.751 2.231 -3.869 1.00 3.40 C ATOM 4 O THR A 22 2.429 1.209 -3.979 1.00 52.32 O ATOM 5 CB THR A 22 3.902 3.458 -3.559 1.00 43.14 C ATOM 6 OG1 THR A 22 4.468 3.059 -2.306 1.00 32.01 O ATOM 7 CG2 THR A 22 4.498 4.790 -3.989 1.00 51.31 C ATOM 0 HA THR A 22 2.012 4.352 -4.094 1.00 32.43 H new ATOM 0 HB THR A 22 4.137 2.711 -4.317 1.00 43.14 H new ATOM 0 HG1 THR A 22 3.856 3.300 -1.579 1.00 32.01 H new ATOM 0 HG21 THR A 22 5.581 4.696 -4.067 1.00 51.31 H new ATOM 0 HG22 THR A 22 4.088 5.076 -4.957 1.00 51.31 H new ATOM 0 HG23 THR A 22 4.253 5.554 -3.251 1.00 51.31 H new ATOM 15 N PRO A 23 0.434 2.246 -4.119 1.00 53.13 N ATOM 16 CA PRO A 23 -0.305 1.053 -4.543 1.00 61.21 C ATOM 17 C PRO A 23 0.059 0.619 -5.959 1.00 34.41 C ATOM 18 O PRO A 23 -0.243 1.299 -6.940 1.00 3.45 O ATOM 19 CB PRO A 23 -1.767 1.500 -4.480 1.00 35.12 C ATOM 20 CG PRO A 23 -1.719 2.979 -4.651 1.00 73.03 C ATOM 21 CD PRO A 23 -0.437 3.429 -4.008 1.00 65.24 C ATOM 0 HA PRO A 23 -0.082 0.191 -3.915 1.00 61.21 H new ATOM 0 HB2 PRO A 23 -2.359 1.030 -5.265 1.00 35.12 H new ATOM 0 HB3 PRO A 23 -2.224 1.226 -3.529 1.00 35.12 H new ATOM 0 HG2 PRO A 23 -1.743 3.251 -5.706 1.00 73.03 H new ATOM 0 HG3 PRO A 23 -2.580 3.454 -4.180 1.00 73.03 H new ATOM 0 HD2 PRO A 23 -0.011 4.291 -4.521 1.00 65.24 H new ATOM 0 HD3 PRO A 23 -0.589 3.720 -2.969 1.00 65.24 H new ATOM 29 N PRO A 24 0.721 -0.542 -6.071 1.00 24.10 N ATOM 30 CA PRO A 24 1.139 -1.093 -7.363 1.00 63.54 C ATOM 31 C PRO A 24 -0.043 -1.575 -8.198 1.00 22.25 C ATOM 32 O PRO A 24 -0.769 -2.486 -7.796 1.00 43.54 O ATOM 33 CB PRO A 24 2.034 -2.272 -6.973 1.00 63.43 C ATOM 34 CG PRO A 24 1.564 -2.673 -5.618 1.00 11.23 C ATOM 35 CD PRO A 24 1.114 -1.406 -4.945 1.00 15.23 C ATOM 0 HA PRO A 24 1.638 -0.347 -7.982 1.00 63.54 H new ATOM 0 HB2 PRO A 24 1.939 -3.093 -7.684 1.00 63.43 H new ATOM 0 HB3 PRO A 24 3.085 -1.983 -6.958 1.00 63.43 H new ATOM 0 HG2 PRO A 24 0.747 -3.391 -5.685 1.00 11.23 H new ATOM 0 HG3 PRO A 24 2.364 -3.152 -5.053 1.00 11.23 H new ATOM 0 HD2 PRO A 24 0.280 -1.586 -4.267 1.00 15.23 H new ATOM 0 HD3 PRO A 24 1.914 -0.958 -4.355 1.00 15.23 H new ATOM 43 N HIS A 25 -0.231 -0.959 -9.360 1.00 63.45 N ATOM 44 CA HIS A 25 -1.325 -1.327 -10.252 1.00 40.21 C ATOM 45 C HIS A 25 -0.808 -2.119 -11.449 1.00 42.32 C ATOM 46 O HIS A 25 0.100 -1.677 -12.154 1.00 62.34 O ATOM 47 CB HIS A 25 -2.061 -0.076 -10.733 1.00 11.11 C ATOM 48 CG HIS A 25 -1.160 0.951 -11.346 1.00 63.14 C ATOM 49 ND1 HIS A 25 -0.854 0.977 -12.691 1.00 22.13 N ATOM 50 CD2 HIS A 25 -0.498 1.993 -10.791 1.00 61.03 C ATOM 51 CE1 HIS A 25 -0.041 1.989 -12.936 1.00 15.54 C ATOM 52 NE2 HIS A 25 0.190 2.622 -11.800 1.00 13.44 N ATOM 0 H HIS A 25 0.360 -0.203 -9.706 1.00 63.45 H new ATOM 0 HA HIS A 25 -2.019 -1.957 -9.695 1.00 40.21 H new ATOM 0 HB2 HIS A 25 -2.816 -0.367 -11.463 1.00 11.11 H new ATOM 0 HB3 HIS A 25 -2.588 0.372 -9.891 1.00 11.11 H new ATOM 0 HD2 HIS A 25 -0.509 2.277 -9.749 1.00 61.03 H new ATOM 0 HE1 HIS A 25 0.366 2.254 -13.901 1.00 15.54 H new ATOM 0 HE2 HIS A 25 0.783 3.445 -11.690 1.00 13.44 H new ATOM 60 N THR A 26 -1.391 -3.292 -11.673 1.00 72.23 N ATOM 61 CA THR A 26 -0.988 -4.147 -12.783 1.00 53.52 C ATOM 62 C THR A 26 -1.557 -3.638 -14.103 1.00 2.20 C ATOM 63 O THR A 26 -0.947 -3.808 -15.158 1.00 3.20 O ATOM 64 CB THR A 26 -1.446 -5.601 -12.567 1.00 62.40 C ATOM 65 OG1 THR A 26 -2.097 -5.727 -11.298 1.00 53.31 O ATOM 66 CG2 THR A 26 -0.263 -6.556 -12.632 1.00 51.10 C ATOM 0 H THR A 26 -2.144 -3.672 -11.100 1.00 72.23 H new ATOM 0 HA THR A 26 0.101 -4.119 -12.824 1.00 53.52 H new ATOM 0 HB THR A 26 -2.146 -5.859 -13.361 1.00 62.40 H new ATOM 0 HG1 THR A 26 -3.060 -5.581 -11.408 1.00 53.31 H new ATOM 0 HG21 THR A 26 -0.611 -7.577 -12.477 1.00 51.10 H new ATOM 0 HG22 THR A 26 0.213 -6.480 -13.610 1.00 51.10 H new ATOM 0 HG23 THR A 26 0.457 -6.296 -11.856 1.00 51.10 H new ATOM 74 N GLU A 27 -2.728 -3.013 -14.036 1.00 11.31 N ATOM 75 CA GLU A 27 -3.378 -2.479 -15.227 1.00 60.53 C ATOM 76 C GLU A 27 -3.797 -1.028 -15.015 1.00 3.50 C ATOM 77 O GLU A 27 -3.968 -0.563 -13.888 1.00 1.13 O ATOM 78 CB GLU A 27 -4.599 -3.326 -15.591 1.00 75.12 C ATOM 79 CG GLU A 27 -5.428 -3.747 -14.389 1.00 55.43 C ATOM 80 CD GLU A 27 -4.957 -5.055 -13.784 1.00 41.42 C ATOM 81 OE1 GLU A 27 -4.519 -5.939 -14.549 1.00 73.21 O ATOM 82 OE2 GLU A 27 -5.026 -5.193 -12.545 1.00 4.02 O ATOM 0 H GLU A 27 -3.246 -2.864 -13.170 1.00 11.31 H new ATOM 0 HA GLU A 27 -2.661 -2.515 -16.047 1.00 60.53 H new ATOM 0 HB2 GLU A 27 -5.230 -2.762 -16.278 1.00 75.12 H new ATOM 0 HB3 GLU A 27 -4.267 -4.218 -16.123 1.00 75.12 H new ATOM 0 HG2 GLU A 27 -5.386 -2.965 -13.631 1.00 55.43 H new ATOM 0 HG3 GLU A 27 -6.472 -3.845 -14.688 1.00 55.43 H new ATOM 89 N PRO A 28 -3.965 -0.293 -16.124 1.00 54.52 N ATOM 90 CA PRO A 28 -4.366 1.117 -16.086 1.00 41.15 C ATOM 91 C PRO A 28 -5.809 1.298 -15.629 1.00 74.44 C ATOM 92 O PRO A 28 -6.519 0.322 -15.383 1.00 10.40 O ATOM 93 CB PRO A 28 -4.204 1.571 -17.540 1.00 34.35 C ATOM 94 CG PRO A 28 -4.350 0.325 -18.344 1.00 11.14 C ATOM 95 CD PRO A 28 -3.779 -0.781 -17.501 1.00 24.23 C ATOM 0 HA PRO A 28 -3.770 1.691 -15.377 1.00 41.15 H new ATOM 0 HB2 PRO A 28 -4.960 2.308 -17.811 1.00 34.35 H new ATOM 0 HB3 PRO A 28 -3.232 2.036 -17.704 1.00 34.35 H new ATOM 0 HG2 PRO A 28 -5.397 0.134 -18.581 1.00 11.14 H new ATOM 0 HG3 PRO A 28 -3.818 0.408 -19.292 1.00 11.14 H new ATOM 0 HD2 PRO A 28 -4.301 -1.723 -17.667 1.00 24.23 H new ATOM 0 HD3 PRO A 28 -2.727 -0.956 -17.727 1.00 24.23 H new ATOM 103 N SER A 29 -6.238 2.551 -15.519 1.00 20.13 N ATOM 104 CA SER A 29 -7.597 2.859 -15.088 1.00 24.01 C ATOM 105 C SER A 29 -8.029 4.231 -15.595 1.00 55.13 C ATOM 106 O SER A 29 -7.620 5.260 -15.058 1.00 71.04 O ATOM 107 CB SER A 29 -7.693 2.813 -13.562 1.00 0.33 C ATOM 108 OG SER A 29 -7.070 1.650 -13.046 1.00 30.31 O ATOM 0 H SER A 29 -5.664 3.370 -15.722 1.00 20.13 H new ATOM 0 HA SER A 29 -8.265 2.108 -15.510 1.00 24.01 H new ATOM 0 HB2 SER A 29 -7.222 3.700 -13.138 1.00 0.33 H new ATOM 0 HB3 SER A 29 -8.740 2.833 -13.260 1.00 0.33 H new ATOM 0 HG SER A 29 -7.697 1.174 -12.463 1.00 30.31 H new ATOM 114 N GLN A 30 -8.860 4.236 -16.633 1.00 42.32 N ATOM 115 CA GLN A 30 -9.348 5.481 -17.214 1.00 41.41 C ATOM 116 C GLN A 30 -10.696 5.870 -16.616 1.00 20.42 C ATOM 117 O GLN A 30 -11.441 6.658 -17.197 1.00 50.44 O ATOM 118 CB GLN A 30 -9.470 5.347 -18.733 1.00 34.31 C ATOM 119 CG GLN A 30 -8.280 4.659 -19.381 1.00 24.44 C ATOM 120 CD GLN A 30 -8.352 4.670 -20.895 1.00 21.52 C ATOM 121 OE1 GLN A 30 -7.599 5.383 -21.559 1.00 31.14 O ATOM 122 NE2 GLN A 30 -9.261 3.876 -21.450 1.00 43.41 N ATOM 0 H GLN A 30 -9.209 3.392 -17.088 1.00 42.32 H new ATOM 0 HA GLN A 30 -8.628 6.266 -16.982 1.00 41.41 H new ATOM 0 HB2 GLN A 30 -10.375 4.787 -18.968 1.00 34.31 H new ATOM 0 HB3 GLN A 30 -9.587 6.339 -19.169 1.00 34.31 H new ATOM 0 HG2 GLN A 30 -7.362 5.152 -19.061 1.00 24.44 H new ATOM 0 HG3 GLN A 30 -8.227 3.628 -19.031 1.00 24.44 H new ATOM 0 HE21 GLN A 30 -9.864 3.302 -20.861 1.00 43.41 H new ATOM 0 HE22 GLN A 30 -9.356 3.840 -22.465 1.00 43.41 H new ATOM 131 N VAL A 31 -11.004 5.310 -15.450 1.00 62.31 N ATOM 132 CA VAL A 31 -12.262 5.598 -14.772 1.00 72.33 C ATOM 133 C VAL A 31 -12.051 5.776 -13.273 1.00 64.50 C ATOM 134 O VAL A 31 -11.191 5.128 -12.675 1.00 71.02 O ATOM 135 CB VAL A 31 -13.294 4.478 -15.005 1.00 10.12 C ATOM 136 CG1 VAL A 31 -13.499 4.241 -16.493 1.00 51.43 C ATOM 137 CG2 VAL A 31 -12.857 3.198 -14.308 1.00 42.24 C ATOM 0 H VAL A 31 -10.399 4.654 -14.956 1.00 62.31 H new ATOM 0 HA VAL A 31 -12.644 6.528 -15.195 1.00 72.33 H new ATOM 0 HB VAL A 31 -14.246 4.791 -14.577 1.00 10.12 H new ATOM 0 HG11 VAL A 31 -14.231 3.447 -16.637 1.00 51.43 H new ATOM 0 HG12 VAL A 31 -13.860 5.157 -16.961 1.00 51.43 H new ATOM 0 HG13 VAL A 31 -12.553 3.950 -16.949 1.00 51.43 H new ATOM 0 HG21 VAL A 31 -13.597 2.417 -14.483 1.00 42.24 H new ATOM 0 HG22 VAL A 31 -11.893 2.879 -14.704 1.00 42.24 H new ATOM 0 HG23 VAL A 31 -12.767 3.379 -13.237 1.00 42.24 H new ATOM 147 N VAL A 32 -12.841 6.658 -12.670 1.00 31.21 N ATOM 148 CA VAL A 32 -12.742 6.920 -11.239 1.00 50.42 C ATOM 149 C VAL A 32 -14.080 6.693 -10.545 1.00 11.32 C ATOM 150 O VAL A 32 -15.136 7.033 -11.081 1.00 61.50 O ATOM 151 CB VAL A 32 -12.271 8.361 -10.964 1.00 74.01 C ATOM 152 CG1 VAL A 32 -11.010 8.671 -11.756 1.00 55.33 C ATOM 153 CG2 VAL A 32 -13.376 9.354 -11.293 1.00 62.15 C ATOM 0 H VAL A 32 -13.557 7.203 -13.150 1.00 31.21 H new ATOM 0 HA VAL A 32 -12.006 6.222 -10.839 1.00 50.42 H new ATOM 0 HB VAL A 32 -12.036 8.452 -9.904 1.00 74.01 H new ATOM 0 HG11 VAL A 32 -10.692 9.693 -11.549 1.00 55.33 H new ATOM 0 HG12 VAL A 32 -10.219 7.979 -11.466 1.00 55.33 H new ATOM 0 HG13 VAL A 32 -11.214 8.563 -12.821 1.00 55.33 H new ATOM 0 HG21 VAL A 32 -13.026 10.367 -11.093 1.00 62.15 H new ATOM 0 HG22 VAL A 32 -13.644 9.264 -12.346 1.00 62.15 H new ATOM 0 HG23 VAL A 32 -14.250 9.143 -10.676 1.00 62.15 H new ATOM 163 N LEU A 33 -14.029 6.118 -9.349 1.00 33.24 N ATOM 164 CA LEU A 33 -15.238 5.845 -8.579 1.00 11.32 C ATOM 165 C LEU A 33 -15.352 6.794 -7.390 1.00 11.11 C ATOM 166 O LEU A 33 -14.485 6.817 -6.516 1.00 62.21 O ATOM 167 CB LEU A 33 -15.240 4.396 -8.091 1.00 24.53 C ATOM 168 CG LEU A 33 -16.040 4.117 -6.818 1.00 24.42 C ATOM 169 CD1 LEU A 33 -17.481 4.574 -6.982 1.00 5.51 C ATOM 170 CD2 LEU A 33 -15.985 2.637 -6.467 1.00 21.11 C ATOM 0 H LEU A 33 -13.164 5.832 -8.891 1.00 33.24 H new ATOM 0 HA LEU A 33 -16.097 6.003 -9.231 1.00 11.32 H new ATOM 0 HB2 LEU A 33 -15.633 3.766 -8.889 1.00 24.53 H new ATOM 0 HB3 LEU A 33 -14.208 4.089 -7.922 1.00 24.53 H new ATOM 0 HG LEU A 33 -15.592 4.681 -6.000 1.00 24.42 H new ATOM 0 HD11 LEU A 33 -18.035 4.367 -6.066 1.00 5.51 H new ATOM 0 HD12 LEU A 33 -17.502 5.645 -7.185 1.00 5.51 H new ATOM 0 HD13 LEU A 33 -17.940 4.038 -7.813 1.00 5.51 H new ATOM 0 HD21 LEU A 33 -16.560 2.457 -5.558 1.00 21.11 H new ATOM 0 HD22 LEU A 33 -16.407 2.053 -7.285 1.00 21.11 H new ATOM 0 HD23 LEU A 33 -14.949 2.340 -6.306 1.00 21.11 H new ATOM 182 N ILE A 34 -16.428 7.574 -7.363 1.00 24.10 N ATOM 183 CA ILE A 34 -16.656 8.522 -6.280 1.00 33.14 C ATOM 184 C ILE A 34 -17.778 8.048 -5.362 1.00 31.20 C ATOM 185 O ILE A 34 -18.719 7.386 -5.803 1.00 1.44 O ATOM 186 CB ILE A 34 -17.007 9.921 -6.820 1.00 60.33 C ATOM 187 CG1 ILE A 34 -18.272 9.857 -7.679 1.00 2.11 C ATOM 188 CG2 ILE A 34 -15.844 10.486 -7.622 1.00 21.41 C ATOM 189 CD1 ILE A 34 -17.993 9.838 -9.165 1.00 64.25 C ATOM 0 H ILE A 34 -17.155 7.568 -8.079 1.00 24.10 H new ATOM 0 HA ILE A 34 -15.727 8.583 -5.714 1.00 33.14 H new ATOM 0 HB ILE A 34 -17.197 10.584 -5.976 1.00 60.33 H new ATOM 0 HG12 ILE A 34 -18.838 8.964 -7.412 1.00 2.11 H new ATOM 0 HG13 ILE A 34 -18.903 10.715 -7.447 1.00 2.11 H new ATOM 0 HG21 ILE A 34 -16.107 11.475 -7.997 1.00 21.41 H new ATOM 0 HG22 ILE A 34 -14.964 10.562 -6.983 1.00 21.41 H new ATOM 0 HG23 ILE A 34 -15.626 9.826 -8.461 1.00 21.41 H new ATOM 0 HD11 ILE A 34 -18.935 9.792 -9.712 1.00 64.25 H new ATOM 0 HD12 ILE A 34 -17.454 10.743 -9.446 1.00 64.25 H new ATOM 0 HD13 ILE A 34 -17.388 8.965 -9.411 1.00 64.25 H new ATOM 201 N THR A 35 -17.674 8.392 -4.082 1.00 63.10 N ATOM 202 CA THR A 35 -18.679 8.003 -3.101 1.00 71.45 C ATOM 203 C THR A 35 -18.881 9.095 -2.058 1.00 1.04 C ATOM 204 O THR A 35 -18.315 10.182 -2.166 1.00 55.10 O ATOM 205 CB THR A 35 -18.292 6.693 -2.389 1.00 63.02 C ATOM 206 OG1 THR A 35 -17.162 6.914 -1.538 1.00 2.02 O ATOM 207 CG2 THR A 35 -17.966 5.603 -3.400 1.00 13.35 C ATOM 0 H THR A 35 -16.903 8.940 -3.701 1.00 63.10 H new ATOM 0 HA THR A 35 -19.610 7.849 -3.647 1.00 71.45 H new ATOM 0 HB THR A 35 -19.141 6.367 -1.788 1.00 63.02 H new ATOM 0 HG1 THR A 35 -16.923 6.077 -1.088 1.00 2.02 H new ATOM 0 HG21 THR A 35 -17.696 4.688 -2.874 1.00 13.35 H new ATOM 0 HG22 THR A 35 -18.837 5.417 -4.028 1.00 13.35 H new ATOM 0 HG23 THR A 35 -17.131 5.923 -4.024 1.00 13.35 H new ATOM 215 N ASN A 36 -19.690 8.798 -1.046 1.00 13.20 N ATOM 216 CA ASN A 36 -19.966 9.756 0.018 1.00 14.24 C ATOM 217 C ASN A 36 -20.728 10.963 -0.520 1.00 54.22 C ATOM 218 O ASN A 36 -20.650 12.058 0.037 1.00 12.41 O ATOM 219 CB ASN A 36 -18.661 10.213 0.673 1.00 51.43 C ATOM 220 CG ASN A 36 -18.831 10.522 2.148 1.00 41.23 C ATOM 221 OD1 ASN A 36 -19.809 11.150 2.553 1.00 31.03 O ATOM 222 ND2 ASN A 36 -17.876 10.081 2.958 1.00 3.10 N ATOM 0 H ASN A 36 -20.166 7.902 -0.941 1.00 13.20 H new ATOM 0 HA ASN A 36 -20.586 9.261 0.766 1.00 14.24 H new ATOM 0 HB2 ASN A 36 -17.906 9.436 0.552 1.00 51.43 H new ATOM 0 HB3 ASN A 36 -18.291 11.100 0.159 1.00 51.43 H new ATOM 0 HD21 ASN A 36 -17.935 10.259 3.961 1.00 3.10 H new ATOM 0 HD22 ASN A 36 -17.083 9.564 2.578 1.00 3.10 H new ATOM 229 N ILE A 37 -21.465 10.754 -1.606 1.00 41.43 N ATOM 230 CA ILE A 37 -22.242 11.824 -2.219 1.00 12.51 C ATOM 231 C ILE A 37 -23.695 11.782 -1.757 1.00 41.50 C ATOM 232 O ILE A 37 -24.284 10.711 -1.626 1.00 31.43 O ATOM 233 CB ILE A 37 -22.201 11.741 -3.756 1.00 74.12 C ATOM 234 CG1 ILE A 37 -22.625 10.347 -4.224 1.00 40.23 C ATOM 235 CG2 ILE A 37 -20.809 12.077 -4.268 1.00 43.11 C ATOM 236 CD1 ILE A 37 -22.816 10.245 -5.721 1.00 73.24 C ATOM 0 H ILE A 37 -21.540 9.854 -2.079 1.00 41.43 H new ATOM 0 HA ILE A 37 -21.789 12.764 -1.902 1.00 12.51 H new ATOM 0 HB ILE A 37 -22.902 12.470 -4.164 1.00 74.12 H new ATOM 0 HG12 ILE A 37 -21.872 9.623 -3.912 1.00 40.23 H new ATOM 0 HG13 ILE A 37 -23.556 10.073 -3.727 1.00 40.23 H new ATOM 0 HG21 ILE A 37 -20.796 12.014 -5.356 1.00 43.11 H new ATOM 0 HG22 ILE A 37 -20.542 13.088 -3.960 1.00 43.11 H new ATOM 0 HG23 ILE A 37 -20.089 11.370 -3.855 1.00 43.11 H new ATOM 0 HD11 ILE A 37 -23.116 9.230 -5.981 1.00 73.24 H new ATOM 0 HD12 ILE A 37 -23.590 10.944 -6.038 1.00 73.24 H new ATOM 0 HD13 ILE A 37 -21.880 10.487 -6.225 1.00 73.24 H new ATOM 248 N ASN A 38 -24.267 12.957 -1.514 1.00 0.22 N ATOM 249 CA ASN A 38 -25.652 13.055 -1.068 1.00 10.12 C ATOM 250 C ASN A 38 -26.612 12.960 -2.250 1.00 11.33 C ATOM 251 O ASN A 38 -26.537 13.732 -3.206 1.00 1.10 O ATOM 252 CB ASN A 38 -25.877 14.370 -0.318 1.00 64.21 C ATOM 253 CG ASN A 38 -26.340 14.150 1.109 1.00 21.31 C ATOM 254 OD1 ASN A 38 -27.536 14.192 1.399 1.00 44.22 O ATOM 255 ND2 ASN A 38 -25.392 13.913 2.009 1.00 52.23 N ATOM 0 H ASN A 38 -23.793 13.854 -1.618 1.00 0.22 H new ATOM 0 HA ASN A 38 -25.850 12.222 -0.394 1.00 10.12 H new ATOM 0 HB2 ASN A 38 -24.951 14.945 -0.312 1.00 64.21 H new ATOM 0 HB3 ASN A 38 -26.619 14.966 -0.850 1.00 64.21 H new ATOM 0 HD21 ASN A 38 -25.643 13.757 2.985 1.00 52.23 H new ATOM 0 HD22 ASN A 38 -24.413 13.887 1.724 1.00 52.23 H new ATOM 262 N PRO A 39 -27.538 11.992 -2.184 1.00 23.30 N ATOM 263 CA PRO A 39 -28.531 11.773 -3.239 1.00 53.44 C ATOM 264 C PRO A 39 -29.565 12.892 -3.302 1.00 53.45 C ATOM 265 O PRO A 39 -30.398 12.929 -4.208 1.00 0.33 O ATOM 266 CB PRO A 39 -29.195 10.455 -2.835 1.00 23.43 C ATOM 267 CG PRO A 39 -29.005 10.372 -1.359 1.00 44.04 C ATOM 268 CD PRO A 39 -27.686 11.035 -1.074 1.00 2.50 C ATOM 0 HA PRO A 39 -28.075 11.750 -4.229 1.00 53.44 H new ATOM 0 HB2 PRO A 39 -30.252 10.447 -3.099 1.00 23.43 H new ATOM 0 HB3 PRO A 39 -28.734 9.608 -3.342 1.00 23.43 H new ATOM 0 HG2 PRO A 39 -29.816 10.874 -0.832 1.00 44.04 H new ATOM 0 HG3 PRO A 39 -29.001 9.335 -1.024 1.00 44.04 H new ATOM 0 HD2 PRO A 39 -27.690 11.538 -0.107 1.00 2.50 H new ATOM 0 HD3 PRO A 39 -26.869 10.313 -1.054 1.00 2.50 H new ATOM 276 N GLU A 40 -29.505 13.803 -2.335 1.00 74.35 N ATOM 277 CA GLU A 40 -30.438 14.922 -2.283 1.00 0.44 C ATOM 278 C GLU A 40 -30.486 15.654 -3.621 1.00 33.11 C ATOM 279 O GLU A 40 -31.505 16.243 -3.983 1.00 71.40 O ATOM 280 CB GLU A 40 -30.039 15.895 -1.171 1.00 43.42 C ATOM 281 CG GLU A 40 -30.991 15.891 0.012 1.00 14.45 C ATOM 282 CD GLU A 40 -30.738 17.040 0.969 1.00 10.41 C ATOM 283 OE1 GLU A 40 -29.761 16.964 1.743 1.00 14.23 O ATOM 284 OE2 GLU A 40 -31.517 18.016 0.943 1.00 51.22 O ATOM 0 H GLU A 40 -28.821 13.788 -1.578 1.00 74.35 H new ATOM 0 HA GLU A 40 -31.431 14.525 -2.071 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -29.038 15.643 -0.822 1.00 43.42 H new ATOM 0 HB3 GLU A 40 -29.989 16.903 -1.583 1.00 43.42 H new ATOM 0 HG2 GLU A 40 -32.017 15.946 -0.352 1.00 14.45 H new ATOM 0 HG3 GLU A 40 -30.893 14.948 0.549 1.00 14.45 H new ATOM 291 N VAL A 41 -29.377 15.613 -4.352 1.00 24.34 N ATOM 292 CA VAL A 41 -29.291 16.271 -5.650 1.00 33.50 C ATOM 293 C VAL A 41 -29.614 15.300 -6.780 1.00 61.42 C ATOM 294 O VAL A 41 -29.123 14.171 -6.822 1.00 43.40 O ATOM 295 CB VAL A 41 -27.891 16.868 -5.885 1.00 55.44 C ATOM 296 CG1 VAL A 41 -26.825 15.788 -5.784 1.00 13.25 C ATOM 297 CG2 VAL A 41 -27.830 17.564 -7.237 1.00 30.11 C ATOM 0 H VAL A 41 -28.525 15.130 -4.067 1.00 24.34 H new ATOM 0 HA VAL A 41 -30.025 17.077 -5.646 1.00 33.50 H new ATOM 0 HB VAL A 41 -27.696 17.609 -5.110 1.00 55.44 H new ATOM 0 HG11 VAL A 41 -25.843 16.229 -5.953 1.00 13.25 H new ATOM 0 HG12 VAL A 41 -26.855 15.339 -4.791 1.00 13.25 H new ATOM 0 HG13 VAL A 41 -27.012 15.021 -6.535 1.00 13.25 H new ATOM 0 HG21 VAL A 41 -26.834 17.980 -7.387 1.00 30.11 H new ATOM 0 HG22 VAL A 41 -28.045 16.844 -8.027 1.00 30.11 H new ATOM 0 HG23 VAL A 41 -28.567 18.367 -7.267 1.00 30.11 H new ATOM 307 N PRO A 42 -30.460 15.746 -7.721 1.00 4.34 N ATOM 308 CA PRO A 42 -30.866 14.933 -8.870 1.00 74.22 C ATOM 309 C PRO A 42 -29.726 14.716 -9.859 1.00 73.23 C ATOM 310 O PRO A 42 -28.931 15.620 -10.114 1.00 43.21 O ATOM 311 CB PRO A 42 -31.982 15.760 -9.513 1.00 40.44 C ATOM 312 CG PRO A 42 -31.696 17.164 -9.105 1.00 43.21 C ATOM 313 CD PRO A 42 -31.083 17.080 -7.734 1.00 53.24 C ATOM 0 HA PRO A 42 -31.177 13.932 -8.571 1.00 74.22 H new ATOM 0 HB2 PRO A 42 -31.978 15.654 -10.598 1.00 40.44 H new ATOM 0 HB3 PRO A 42 -32.964 15.439 -9.165 1.00 40.44 H new ATOM 0 HG2 PRO A 42 -31.015 17.644 -9.808 1.00 43.21 H new ATOM 0 HG3 PRO A 42 -32.609 17.759 -9.089 1.00 43.21 H new ATOM 0 HD2 PRO A 42 -30.348 17.869 -7.573 1.00 53.24 H new ATOM 0 HD3 PRO A 42 -31.834 17.180 -6.951 1.00 53.24 H new ATOM 321 N LYS A 43 -29.653 13.511 -10.415 1.00 5.10 N ATOM 322 CA LYS A 43 -28.611 13.175 -11.378 1.00 62.22 C ATOM 323 C LYS A 43 -28.486 14.258 -12.445 1.00 72.32 C ATOM 324 O LYS A 43 -27.394 14.528 -12.942 1.00 44.22 O ATOM 325 CB LYS A 43 -28.913 11.827 -12.037 1.00 62.02 C ATOM 326 CG LYS A 43 -28.089 11.562 -13.285 1.00 65.21 C ATOM 327 CD LYS A 43 -27.861 10.075 -13.498 1.00 30.45 C ATOM 328 CE LYS A 43 -28.909 9.477 -14.424 1.00 0.10 C ATOM 329 NZ LYS A 43 -28.854 10.080 -15.785 1.00 34.43 N ATOM 0 H LYS A 43 -30.303 12.751 -10.215 1.00 5.10 H new ATOM 0 HA LYS A 43 -27.664 13.107 -10.842 1.00 62.22 H new ATOM 0 HB2 LYS A 43 -28.731 11.030 -11.316 1.00 62.02 H new ATOM 0 HB3 LYS A 43 -29.971 11.787 -12.295 1.00 62.02 H new ATOM 0 HG2 LYS A 43 -28.597 11.981 -14.153 1.00 65.21 H new ATOM 0 HG3 LYS A 43 -27.128 12.070 -13.202 1.00 65.21 H new ATOM 0 HD2 LYS A 43 -26.868 9.915 -13.919 1.00 30.45 H new ATOM 0 HD3 LYS A 43 -27.887 9.561 -12.537 1.00 30.45 H new ATOM 0 HE2 LYS A 43 -28.757 8.400 -14.497 1.00 0.10 H new ATOM 0 HE3 LYS A 43 -29.900 9.631 -13.998 1.00 0.10 H new ATOM 0 HZ1 LYS A 43 -29.212 9.396 -16.482 1.00 34.43 H new ATOM 0 HZ2 LYS A 43 -29.441 10.938 -15.808 1.00 34.43 H new ATOM 0 HZ3 LYS A 43 -27.870 10.327 -16.016 1.00 34.43 H new ATOM 343 N GLU A 44 -29.612 14.874 -12.791 1.00 11.23 N ATOM 344 CA GLU A 44 -29.627 15.928 -13.798 1.00 41.14 C ATOM 345 C GLU A 44 -28.565 16.982 -13.499 1.00 2.11 C ATOM 346 O GLU A 44 -27.711 17.275 -14.336 1.00 40.50 O ATOM 347 CB GLU A 44 -31.008 16.584 -13.863 1.00 20.35 C ATOM 348 CG GLU A 44 -31.519 16.790 -15.279 1.00 5.24 C ATOM 349 CD GLU A 44 -32.848 17.518 -15.319 1.00 40.41 C ATOM 350 OE1 GLU A 44 -33.347 17.901 -14.240 1.00 41.30 O ATOM 351 OE2 GLU A 44 -33.389 17.705 -16.429 1.00 14.04 O ATOM 0 H GLU A 44 -30.525 14.661 -12.389 1.00 11.23 H new ATOM 0 HA GLU A 44 -29.403 15.475 -14.764 1.00 41.14 H new ATOM 0 HB2 GLU A 44 -31.720 15.967 -13.315 1.00 20.35 H new ATOM 0 HB3 GLU A 44 -30.967 17.549 -13.357 1.00 20.35 H new ATOM 0 HG2 GLU A 44 -30.782 17.356 -15.849 1.00 5.24 H new ATOM 0 HG3 GLU A 44 -31.625 15.821 -15.768 1.00 5.24 H new ATOM 358 N LYS A 45 -28.625 17.549 -12.299 1.00 4.22 N ATOM 359 CA LYS A 45 -27.669 18.570 -11.886 1.00 51.31 C ATOM 360 C LYS A 45 -26.393 17.934 -11.345 1.00 1.14 C ATOM 361 O LYS A 45 -25.286 18.380 -11.651 1.00 13.32 O ATOM 362 CB LYS A 45 -28.290 19.479 -10.822 1.00 63.24 C ATOM 363 CG LYS A 45 -29.287 20.478 -11.383 1.00 34.34 C ATOM 364 CD LYS A 45 -30.718 20.070 -11.074 1.00 72.31 C ATOM 365 CE LYS A 45 -31.096 20.405 -9.640 1.00 14.14 C ATOM 366 NZ LYS A 45 -31.553 21.816 -9.502 1.00 34.33 N ATOM 0 H LYS A 45 -29.326 17.319 -11.595 1.00 4.22 H new ATOM 0 HA LYS A 45 -27.413 19.167 -12.761 1.00 51.31 H new ATOM 0 HB2 LYS A 45 -28.788 18.862 -10.075 1.00 63.24 H new ATOM 0 HB3 LYS A 45 -27.495 20.020 -10.310 1.00 63.24 H new ATOM 0 HG2 LYS A 45 -29.090 21.465 -10.964 1.00 34.34 H new ATOM 0 HG3 LYS A 45 -29.155 20.558 -12.462 1.00 34.34 H new ATOM 0 HD2 LYS A 45 -31.398 20.577 -11.758 1.00 72.31 H new ATOM 0 HD3 LYS A 45 -30.837 19.000 -11.242 1.00 72.31 H new ATOM 0 HE2 LYS A 45 -31.887 19.733 -9.306 1.00 14.14 H new ATOM 0 HE3 LYS A 45 -30.238 20.236 -8.989 1.00 14.14 H new ATOM 0 HZ1 LYS A 45 -31.801 22.005 -8.510 1.00 34.33 H new ATOM 0 HZ2 LYS A 45 -30.790 22.458 -9.796 1.00 34.33 H new ATOM 0 HZ3 LYS A 45 -32.387 21.971 -10.103 1.00 34.33 H new ATOM 380 N LEU A 46 -26.554 16.889 -10.540 1.00 4.40 N ATOM 381 CA LEU A 46 -25.414 16.190 -9.957 1.00 4.31 C ATOM 382 C LEU A 46 -24.416 15.782 -11.036 1.00 24.45 C ATOM 383 O LEU A 46 -23.217 16.032 -10.912 1.00 11.02 O ATOM 384 CB LEU A 46 -25.886 14.955 -9.189 1.00 35.31 C ATOM 385 CG LEU A 46 -25.055 13.686 -9.382 1.00 32.14 C ATOM 386 CD1 LEU A 46 -23.649 13.881 -8.835 1.00 74.44 C ATOM 387 CD2 LEU A 46 -25.731 12.499 -8.710 1.00 65.24 C ATOM 0 H LEU A 46 -27.462 16.507 -10.276 1.00 4.40 H new ATOM 0 HA LEU A 46 -24.916 16.871 -9.266 1.00 4.31 H new ATOM 0 HB2 LEU A 46 -25.902 15.197 -8.126 1.00 35.31 H new ATOM 0 HB3 LEU A 46 -26.914 14.740 -9.482 1.00 35.31 H new ATOM 0 HG LEU A 46 -24.982 13.481 -10.450 1.00 32.14 H new ATOM 0 HD11 LEU A 46 -23.072 12.968 -8.981 1.00 74.44 H new ATOM 0 HD12 LEU A 46 -23.165 14.704 -9.361 1.00 74.44 H new ATOM 0 HD13 LEU A 46 -23.701 14.111 -7.771 1.00 74.44 H new ATOM 0 HD21 LEU A 46 -25.126 11.604 -8.857 1.00 65.24 H new ATOM 0 HD22 LEU A 46 -25.834 12.695 -7.643 1.00 65.24 H new ATOM 0 HD23 LEU A 46 -26.717 12.346 -9.148 1.00 65.24 H new ATOM 399 N GLN A 47 -24.919 15.153 -12.093 1.00 53.50 N ATOM 400 CA GLN A 47 -24.071 14.712 -13.194 1.00 74.10 C ATOM 401 C GLN A 47 -23.419 15.902 -13.890 1.00 31.11 C ATOM 402 O GLN A 47 -22.211 15.911 -14.123 1.00 2.11 O ATOM 403 CB GLN A 47 -24.889 13.902 -14.202 1.00 23.22 C ATOM 404 CG GLN A 47 -24.061 13.345 -15.349 1.00 51.31 C ATOM 405 CD GLN A 47 -24.837 13.279 -16.650 1.00 2.50 C ATOM 406 OE1 GLN A 47 -25.604 14.186 -16.975 1.00 73.20 O ATOM 407 NE2 GLN A 47 -24.640 12.204 -17.403 1.00 32.50 N ATOM 0 H GLN A 47 -25.909 14.937 -12.210 1.00 53.50 H new ATOM 0 HA GLN A 47 -23.284 14.080 -12.783 1.00 74.10 H new ATOM 0 HB2 GLN A 47 -25.377 13.077 -13.683 1.00 23.22 H new ATOM 0 HB3 GLN A 47 -25.679 14.534 -14.608 1.00 23.22 H new ATOM 0 HG2 GLN A 47 -23.176 13.966 -15.489 1.00 51.31 H new ATOM 0 HG3 GLN A 47 -23.711 12.346 -15.088 1.00 51.31 H new ATOM 0 HE21 GLN A 47 -23.995 11.477 -17.095 1.00 32.50 H new ATOM 0 HE22 GLN A 47 -25.134 12.105 -18.290 1.00 32.50 H new ATOM 416 N ALA A 48 -24.227 16.904 -14.220 1.00 12.13 N ATOM 417 CA ALA A 48 -23.728 18.100 -14.887 1.00 72.25 C ATOM 418 C ALA A 48 -22.614 18.756 -14.079 1.00 31.32 C ATOM 419 O ALA A 48 -21.687 19.341 -14.640 1.00 71.05 O ATOM 420 CB ALA A 48 -24.863 19.086 -15.122 1.00 71.44 C ATOM 0 H ALA A 48 -25.230 16.911 -14.036 1.00 12.13 H new ATOM 0 HA ALA A 48 -23.315 17.802 -15.851 1.00 72.25 H new ATOM 0 HB1 ALA A 48 -24.476 19.974 -15.621 1.00 71.44 H new ATOM 0 HB2 ALA A 48 -25.625 18.621 -15.748 1.00 71.44 H new ATOM 0 HB3 ALA A 48 -25.303 19.369 -14.166 1.00 71.44 H new ATOM 426 N LEU A 49 -22.711 18.655 -12.758 1.00 4.23 N ATOM 427 CA LEU A 49 -21.711 19.240 -11.871 1.00 24.42 C ATOM 428 C LEU A 49 -20.407 18.450 -11.925 1.00 21.45 C ATOM 429 O LEU A 49 -19.329 19.020 -12.101 1.00 15.15 O ATOM 430 CB LEU A 49 -22.236 19.282 -10.435 1.00 30.41 C ATOM 431 CG LEU A 49 -22.380 20.671 -9.813 1.00 41.22 C ATOM 432 CD1 LEU A 49 -21.082 21.453 -9.948 1.00 15.12 C ATOM 433 CD2 LEU A 49 -23.531 21.428 -10.460 1.00 4.30 C ATOM 0 H LEU A 49 -23.471 18.174 -12.277 1.00 4.23 H new ATOM 0 HA LEU A 49 -21.513 20.257 -12.208 1.00 24.42 H new ATOM 0 HB2 LEU A 49 -23.210 18.793 -10.411 1.00 30.41 H new ATOM 0 HB3 LEU A 49 -21.567 18.693 -9.808 1.00 30.41 H new ATOM 0 HG LEU A 49 -22.600 20.553 -8.752 1.00 41.22 H new ATOM 0 HD11 LEU A 49 -21.203 22.439 -9.500 1.00 15.12 H new ATOM 0 HD12 LEU A 49 -20.281 20.919 -9.438 1.00 15.12 H new ATOM 0 HD13 LEU A 49 -20.831 21.562 -11.003 1.00 15.12 H new ATOM 0 HD21 LEU A 49 -23.619 22.415 -10.005 1.00 4.30 H new ATOM 0 HD22 LEU A 49 -23.341 21.536 -11.528 1.00 4.30 H new ATOM 0 HD23 LEU A 49 -24.459 20.876 -10.311 1.00 4.30 H new ATOM 445 N LEU A 50 -20.512 17.134 -11.774 1.00 30.12 N ATOM 446 CA LEU A 50 -19.341 16.264 -11.807 1.00 54.14 C ATOM 447 C LEU A 50 -18.546 16.471 -13.093 1.00 31.35 C ATOM 448 O LEU A 50 -17.330 16.282 -13.119 1.00 23.11 O ATOM 449 CB LEU A 50 -19.766 14.800 -11.687 1.00 72.50 C ATOM 450 CG LEU A 50 -20.369 14.384 -10.345 1.00 23.44 C ATOM 451 CD1 LEU A 50 -20.800 12.926 -10.382 1.00 33.21 C ATOM 452 CD2 LEU A 50 -19.373 14.618 -9.218 1.00 14.43 C ATOM 0 H LEU A 50 -21.396 16.646 -11.628 1.00 30.12 H new ATOM 0 HA LEU A 50 -18.703 16.521 -10.961 1.00 54.14 H new ATOM 0 HB2 LEU A 50 -20.493 14.588 -12.471 1.00 72.50 H new ATOM 0 HB3 LEU A 50 -18.896 14.173 -11.882 1.00 72.50 H new ATOM 0 HG LEU A 50 -21.250 14.998 -10.159 1.00 23.44 H new ATOM 0 HD11 LEU A 50 -21.227 12.648 -9.418 1.00 33.21 H new ATOM 0 HD12 LEU A 50 -21.547 12.787 -11.163 1.00 33.21 H new ATOM 0 HD13 LEU A 50 -19.935 12.296 -10.591 1.00 33.21 H new ATOM 0 HD21 LEU A 50 -19.819 14.317 -8.270 1.00 14.43 H new ATOM 0 HD22 LEU A 50 -18.473 14.030 -9.399 1.00 14.43 H new ATOM 0 HD23 LEU A 50 -19.113 15.676 -9.176 1.00 14.43 H new ATOM 464 N TYR A 51 -19.241 16.861 -14.155 1.00 45.33 N ATOM 465 CA TYR A 51 -18.599 17.094 -15.444 1.00 73.31 C ATOM 466 C TYR A 51 -17.786 18.384 -15.423 1.00 50.30 C ATOM 467 O TYR A 51 -16.629 18.409 -15.842 1.00 31.13 O ATOM 468 CB TYR A 51 -19.649 17.157 -16.555 1.00 64.03 C ATOM 469 CG TYR A 51 -19.067 17.029 -17.945 1.00 71.31 C ATOM 470 CD1 TYR A 51 -18.232 18.011 -18.464 1.00 34.21 C ATOM 471 CD2 TYR A 51 -19.352 15.925 -18.739 1.00 63.52 C ATOM 472 CE1 TYR A 51 -17.700 17.898 -19.733 1.00 63.14 C ATOM 473 CE2 TYR A 51 -18.822 15.803 -20.009 1.00 73.54 C ATOM 474 CZ TYR A 51 -17.997 16.792 -20.502 1.00 53.01 C ATOM 475 OH TYR A 51 -17.467 16.675 -21.767 1.00 15.23 O ATOM 0 H TYR A 51 -20.248 17.023 -14.150 1.00 45.33 H new ATOM 0 HA TYR A 51 -17.921 16.263 -15.640 1.00 73.31 H new ATOM 0 HB2 TYR A 51 -20.378 16.361 -16.400 1.00 64.03 H new ATOM 0 HB3 TYR A 51 -20.188 18.102 -16.481 1.00 64.03 H new ATOM 0 HD1 TYR A 51 -17.995 18.877 -17.864 1.00 34.21 H new ATOM 0 HD2 TYR A 51 -19.999 15.149 -18.357 1.00 63.52 H new ATOM 0 HE1 TYR A 51 -17.054 18.672 -20.122 1.00 63.14 H new ATOM 0 HE2 TYR A 51 -19.053 14.938 -20.613 1.00 73.54 H new ATOM 0 HH TYR A 51 -17.773 15.838 -22.174 1.00 15.23 H new ATOM 485 N ALA A 52 -18.401 19.455 -14.931 1.00 44.25 N ATOM 486 CA ALA A 52 -17.734 20.749 -14.852 1.00 53.35 C ATOM 487 C ALA A 52 -16.376 20.627 -14.170 1.00 71.32 C ATOM 488 O ALA A 52 -15.355 21.048 -14.716 1.00 73.31 O ATOM 489 CB ALA A 52 -18.610 21.750 -14.113 1.00 33.41 C ATOM 0 H ALA A 52 -19.359 19.452 -14.581 1.00 44.25 H new ATOM 0 HA ALA A 52 -17.569 21.107 -15.868 1.00 53.35 H new ATOM 0 HB1 ALA A 52 -18.100 22.712 -14.061 1.00 33.41 H new ATOM 0 HB2 ALA A 52 -19.555 21.869 -14.644 1.00 33.41 H new ATOM 0 HB3 ALA A 52 -18.804 21.388 -13.103 1.00 33.41 H new ATOM 495 N LEU A 53 -16.370 20.049 -12.974 1.00 72.31 N ATOM 496 CA LEU A 53 -15.136 19.871 -12.216 1.00 54.22 C ATOM 497 C LEU A 53 -14.169 18.954 -12.958 1.00 10.14 C ATOM 498 O LEU A 53 -12.962 19.191 -12.973 1.00 4.31 O ATOM 499 CB LEU A 53 -15.443 19.296 -10.832 1.00 50.13 C ATOM 500 CG LEU A 53 -16.524 20.020 -10.029 1.00 3.51 C ATOM 501 CD1 LEU A 53 -16.850 19.251 -8.758 1.00 72.04 C ATOM 502 CD2 LEU A 53 -16.081 21.438 -9.697 1.00 54.21 C ATOM 0 H LEU A 53 -17.206 19.696 -12.508 1.00 72.31 H new ATOM 0 HA LEU A 53 -14.665 20.847 -12.100 1.00 54.22 H new ATOM 0 HB2 LEU A 53 -15.743 18.255 -10.952 1.00 50.13 H new ATOM 0 HB3 LEU A 53 -14.523 19.297 -10.248 1.00 50.13 H new ATOM 0 HG LEU A 53 -17.427 20.075 -10.638 1.00 3.51 H new ATOM 0 HD11 LEU A 53 -17.621 19.781 -8.200 1.00 72.04 H new ATOM 0 HD12 LEU A 53 -17.210 18.255 -9.017 1.00 72.04 H new ATOM 0 HD13 LEU A 53 -15.953 19.164 -8.145 1.00 72.04 H new ATOM 0 HD21 LEU A 53 -16.862 21.939 -9.125 1.00 54.21 H new ATOM 0 HD22 LEU A 53 -15.165 21.404 -9.107 1.00 54.21 H new ATOM 0 HD23 LEU A 53 -15.898 21.988 -10.620 1.00 54.21 H new ATOM 514 N ALA A 54 -14.709 17.907 -13.573 1.00 64.01 N ATOM 515 CA ALA A 54 -13.894 16.957 -14.320 1.00 61.22 C ATOM 516 C ALA A 54 -13.152 17.647 -15.459 1.00 64.25 C ATOM 517 O ALA A 54 -11.930 17.544 -15.569 1.00 61.34 O ATOM 518 CB ALA A 54 -14.760 15.828 -14.859 1.00 54.22 C ATOM 0 H ALA A 54 -15.707 17.695 -13.569 1.00 64.01 H new ATOM 0 HA ALA A 54 -13.153 16.538 -13.639 1.00 61.22 H new ATOM 0 HB1 ALA A 54 -14.138 15.126 -15.415 1.00 54.22 H new ATOM 0 HB2 ALA A 54 -15.240 15.309 -14.029 1.00 54.22 H new ATOM 0 HB3 ALA A 54 -15.523 16.239 -15.520 1.00 54.22 H new ATOM 524 N SER A 55 -13.898 18.350 -16.306 1.00 24.23 N ATOM 525 CA SER A 55 -13.310 19.053 -17.440 1.00 11.31 C ATOM 526 C SER A 55 -12.240 20.037 -16.974 1.00 74.54 C ATOM 527 O SER A 55 -11.281 20.314 -17.694 1.00 22.50 O ATOM 528 CB SER A 55 -14.394 19.795 -18.224 1.00 52.20 C ATOM 529 OG SER A 55 -13.930 20.166 -19.510 1.00 44.14 O ATOM 0 H SER A 55 -14.910 18.448 -16.228 1.00 24.23 H new ATOM 0 HA SER A 55 -12.841 18.315 -18.091 1.00 11.31 H new ATOM 0 HB2 SER A 55 -15.275 19.161 -18.321 1.00 52.20 H new ATOM 0 HB3 SER A 55 -14.700 20.685 -17.674 1.00 52.20 H new ATOM 0 HG SER A 55 -14.642 20.637 -19.991 1.00 44.14 H new ATOM 535 N SER A 56 -12.413 20.561 -15.765 1.00 74.23 N ATOM 536 CA SER A 56 -11.466 21.516 -15.204 1.00 2.43 C ATOM 537 C SER A 56 -10.067 20.912 -15.124 1.00 72.15 C ATOM 538 O SER A 56 -9.071 21.632 -15.077 1.00 4.31 O ATOM 539 CB SER A 56 -11.921 21.961 -13.812 1.00 72.24 C ATOM 540 OG SER A 56 -11.554 23.306 -13.561 1.00 54.44 O ATOM 0 H SER A 56 -13.200 20.340 -15.155 1.00 74.23 H new ATOM 0 HA SER A 56 -11.431 22.384 -15.862 1.00 2.43 H new ATOM 0 HB2 SER A 56 -13.003 21.854 -13.728 1.00 72.24 H new ATOM 0 HB3 SER A 56 -11.477 21.313 -13.056 1.00 72.24 H new ATOM 0 HG SER A 56 -11.857 23.566 -12.666 1.00 54.44 H new ATOM 546 N GLN A 57 -10.003 19.584 -15.111 1.00 11.42 N ATOM 547 CA GLN A 57 -8.727 18.882 -15.037 1.00 12.45 C ATOM 548 C GLN A 57 -8.448 18.122 -16.329 1.00 11.31 C ATOM 549 O GLN A 57 -7.619 18.537 -17.138 1.00 21.52 O ATOM 550 CB GLN A 57 -8.721 17.916 -13.851 1.00 31.11 C ATOM 551 CG GLN A 57 -8.810 18.609 -12.501 1.00 31.43 C ATOM 552 CD GLN A 57 -7.448 18.927 -11.917 1.00 43.44 C ATOM 553 OE1 GLN A 57 -6.557 18.077 -11.889 1.00 53.22 O ATOM 554 NE2 GLN A 57 -7.278 20.158 -11.448 1.00 24.33 N ATOM 0 H GLN A 57 -10.819 18.973 -15.151 1.00 11.42 H new ATOM 0 HA GLN A 57 -7.940 19.623 -14.897 1.00 12.45 H new ATOM 0 HB2 GLN A 57 -9.558 17.225 -13.951 1.00 31.11 H new ATOM 0 HB3 GLN A 57 -7.810 17.319 -13.884 1.00 31.11 H new ATOM 0 HG2 GLN A 57 -9.380 19.532 -12.608 1.00 31.43 H new ATOM 0 HG3 GLN A 57 -9.360 17.974 -11.806 1.00 31.43 H new ATOM 0 HE21 GLN A 57 -8.044 20.831 -11.491 1.00 24.33 H new ATOM 0 HE22 GLN A 57 -6.382 20.431 -11.045 1.00 24.33 H new ATOM 563 N GLY A 58 -9.147 17.006 -16.516 1.00 44.53 N ATOM 564 CA GLY A 58 -8.959 16.206 -17.712 1.00 71.11 C ATOM 565 C GLY A 58 -10.234 16.061 -18.519 1.00 33.13 C ATOM 566 O GLY A 58 -11.301 16.501 -18.090 1.00 51.33 O ATOM 0 H GLY A 58 -9.839 16.642 -15.861 1.00 44.53 H new ATOM 0 HA2 GLY A 58 -8.189 16.663 -18.334 1.00 71.11 H new ATOM 0 HA3 GLY A 58 -8.596 15.217 -17.431 1.00 71.11 H new ATOM 570 N ASP A 59 -10.125 15.444 -19.690 1.00 25.52 N ATOM 571 CA ASP A 59 -11.278 15.242 -20.559 1.00 11.20 C ATOM 572 C ASP A 59 -12.141 14.088 -20.058 1.00 41.13 C ATOM 573 O ASP A 59 -11.631 13.117 -19.497 1.00 55.43 O ATOM 574 CB ASP A 59 -10.821 14.969 -21.993 1.00 15.11 C ATOM 575 CG ASP A 59 -10.172 16.180 -22.634 1.00 72.22 C ATOM 576 OD1 ASP A 59 -9.009 16.480 -22.293 1.00 10.45 O ATOM 577 OD2 ASP A 59 -10.827 16.826 -23.478 1.00 41.14 O ATOM 0 H ASP A 59 -9.249 15.075 -20.060 1.00 25.52 H new ATOM 0 HA ASP A 59 -11.877 16.152 -20.544 1.00 11.20 H new ATOM 0 HB2 ASP A 59 -10.115 14.139 -21.994 1.00 15.11 H new ATOM 0 HB3 ASP A 59 -11.678 14.660 -22.592 1.00 15.11 H new ATOM 582 N ILE A 60 -13.449 14.201 -20.264 1.00 3.42 N ATOM 583 CA ILE A 60 -14.382 13.168 -19.833 1.00 64.52 C ATOM 584 C ILE A 60 -14.952 12.410 -21.027 1.00 61.23 C ATOM 585 O ILE A 60 -15.373 13.013 -22.015 1.00 73.55 O ATOM 586 CB ILE A 60 -15.543 13.762 -19.015 1.00 2.42 C ATOM 587 CG1 ILE A 60 -15.002 14.546 -17.817 1.00 53.42 C ATOM 588 CG2 ILE A 60 -16.484 12.660 -18.552 1.00 41.22 C ATOM 589 CD1 ILE A 60 -14.916 16.037 -18.060 1.00 62.00 C ATOM 0 H ILE A 60 -13.886 14.998 -20.727 1.00 3.42 H new ATOM 0 HA ILE A 60 -13.820 12.479 -19.202 1.00 64.52 H new ATOM 0 HB ILE A 60 -16.103 14.447 -19.652 1.00 2.42 H new ATOM 0 HG12 ILE A 60 -15.642 14.363 -16.954 1.00 53.42 H new ATOM 0 HG13 ILE A 60 -14.011 14.169 -17.564 1.00 53.42 H new ATOM 0 HG21 ILE A 60 -17.299 13.096 -17.975 1.00 41.22 H new ATOM 0 HG22 ILE A 60 -16.891 12.141 -19.420 1.00 41.22 H new ATOM 0 HG23 ILE A 60 -15.937 11.952 -17.929 1.00 41.22 H new ATOM 0 HD11 ILE A 60 -14.525 16.529 -17.169 1.00 62.00 H new ATOM 0 HD12 ILE A 60 -14.252 16.231 -18.903 1.00 62.00 H new ATOM 0 HD13 ILE A 60 -15.909 16.427 -18.283 1.00 62.00 H new ATOM 601 N LEU A 61 -14.964 11.085 -20.929 1.00 52.12 N ATOM 602 CA LEU A 61 -15.485 10.243 -22.001 1.00 11.33 C ATOM 603 C LEU A 61 -16.913 9.800 -21.700 1.00 12.14 C ATOM 604 O LEU A 61 -17.689 9.509 -22.611 1.00 4.25 O ATOM 605 CB LEU A 61 -14.589 9.019 -22.195 1.00 72.32 C ATOM 606 CG LEU A 61 -13.086 9.255 -22.041 1.00 54.32 C ATOM 607 CD1 LEU A 61 -12.309 7.995 -22.389 1.00 53.11 C ATOM 608 CD2 LEU A 61 -12.637 10.419 -22.913 1.00 75.34 C ATOM 0 H LEU A 61 -14.619 10.571 -20.119 1.00 52.12 H new ATOM 0 HA LEU A 61 -15.493 10.829 -22.920 1.00 11.33 H new ATOM 0 HB2 LEU A 61 -14.892 8.255 -21.479 1.00 72.32 H new ATOM 0 HB3 LEU A 61 -14.773 8.614 -23.190 1.00 72.32 H new ATOM 0 HG LEU A 61 -12.882 9.507 -21.000 1.00 54.32 H new ATOM 0 HD11 LEU A 61 -11.241 8.182 -22.274 1.00 53.11 H new ATOM 0 HD12 LEU A 61 -12.610 7.186 -21.723 1.00 53.11 H new ATOM 0 HD13 LEU A 61 -12.518 7.712 -23.421 1.00 53.11 H new ATOM 0 HD21 LEU A 61 -11.565 10.573 -22.791 1.00 75.34 H new ATOM 0 HD22 LEU A 61 -12.855 10.196 -23.958 1.00 75.34 H new ATOM 0 HD23 LEU A 61 -13.169 11.323 -22.616 1.00 75.34 H new ATOM 620 N ASP A 62 -17.254 9.753 -20.417 1.00 33.04 N ATOM 621 CA ASP A 62 -18.590 9.349 -19.995 1.00 35.40 C ATOM 622 C ASP A 62 -18.715 9.384 -18.475 1.00 25.51 C ATOM 623 O ASP A 62 -17.927 8.758 -17.764 1.00 13.32 O ATOM 624 CB ASP A 62 -18.909 7.945 -20.513 1.00 51.31 C ATOM 625 CG ASP A 62 -20.248 7.880 -21.221 1.00 32.42 C ATOM 626 OD1 ASP A 62 -20.547 8.799 -22.011 1.00 2.00 O ATOM 627 OD2 ASP A 62 -20.998 6.909 -20.984 1.00 1.12 O ATOM 0 H ASP A 62 -16.624 9.990 -19.651 1.00 33.04 H new ATOM 0 HA ASP A 62 -19.306 10.055 -20.416 1.00 35.40 H new ATOM 0 HB2 ASP A 62 -18.123 7.626 -21.198 1.00 51.31 H new ATOM 0 HB3 ASP A 62 -18.908 7.244 -19.678 1.00 51.31 H new ATOM 632 N ILE A 63 -19.707 10.119 -17.984 1.00 65.31 N ATOM 633 CA ILE A 63 -19.933 10.235 -16.549 1.00 21.31 C ATOM 634 C ILE A 63 -21.130 9.398 -16.112 1.00 35.11 C ATOM 635 O ILE A 63 -22.272 9.699 -16.460 1.00 72.23 O ATOM 636 CB ILE A 63 -20.165 11.699 -16.132 1.00 43.11 C ATOM 637 CG1 ILE A 63 -18.993 12.573 -16.584 1.00 64.43 C ATOM 638 CG2 ILE A 63 -20.355 11.797 -14.626 1.00 13.31 C ATOM 639 CD1 ILE A 63 -19.129 14.024 -16.179 1.00 63.51 C ATOM 0 H ILE A 63 -20.367 10.643 -18.559 1.00 65.31 H new ATOM 0 HA ILE A 63 -19.034 9.864 -16.057 1.00 21.31 H new ATOM 0 HB ILE A 63 -21.072 12.060 -16.617 1.00 43.11 H new ATOM 0 HG12 ILE A 63 -18.069 12.173 -16.166 1.00 64.43 H new ATOM 0 HG13 ILE A 63 -18.904 12.514 -17.669 1.00 64.43 H new ATOM 0 HG21 ILE A 63 -20.518 12.838 -14.347 1.00 13.31 H new ATOM 0 HG22 ILE A 63 -21.219 11.202 -14.329 1.00 13.31 H new ATOM 0 HG23 ILE A 63 -19.465 11.421 -14.122 1.00 13.31 H new ATOM 0 HD11 ILE A 63 -18.263 14.583 -16.533 1.00 63.51 H new ATOM 0 HD12 ILE A 63 -20.035 14.441 -16.619 1.00 63.51 H new ATOM 0 HD13 ILE A 63 -19.188 14.095 -15.093 1.00 63.51 H new ATOM 651 N VAL A 64 -20.862 8.346 -15.345 1.00 11.14 N ATOM 652 CA VAL A 64 -21.918 7.467 -14.857 1.00 23.44 C ATOM 653 C VAL A 64 -22.319 7.828 -13.431 1.00 52.51 C ATOM 654 O VAL A 64 -21.489 8.259 -12.631 1.00 3.30 O ATOM 655 CB VAL A 64 -21.481 5.990 -14.896 1.00 50.11 C ATOM 656 CG1 VAL A 64 -22.615 5.085 -14.438 1.00 43.42 C ATOM 657 CG2 VAL A 64 -21.016 5.610 -16.294 1.00 23.24 C ATOM 0 H VAL A 64 -19.923 8.082 -15.048 1.00 11.14 H new ATOM 0 HA VAL A 64 -22.774 7.604 -15.518 1.00 23.44 H new ATOM 0 HB VAL A 64 -20.644 5.858 -14.210 1.00 50.11 H new ATOM 0 HG11 VAL A 64 -22.288 4.046 -14.472 1.00 43.42 H new ATOM 0 HG12 VAL A 64 -22.897 5.343 -13.417 1.00 43.42 H new ATOM 0 HG13 VAL A 64 -23.474 5.217 -15.096 1.00 43.42 H new ATOM 0 HG21 VAL A 64 -20.711 4.564 -16.304 1.00 23.24 H new ATOM 0 HG22 VAL A 64 -21.832 5.757 -17.001 1.00 23.24 H new ATOM 0 HG23 VAL A 64 -20.171 6.237 -16.579 1.00 23.24 H new ATOM 667 N VAL A 65 -23.599 7.650 -13.119 1.00 50.02 N ATOM 668 CA VAL A 65 -24.112 7.956 -11.789 1.00 5.10 C ATOM 669 C VAL A 65 -25.171 6.946 -11.363 1.00 12.44 C ATOM 670 O VAL A 65 -26.072 6.614 -12.133 1.00 14.11 O ATOM 671 CB VAL A 65 -24.715 9.372 -11.732 1.00 50.01 C ATOM 672 CG1 VAL A 65 -25.066 9.746 -10.300 1.00 74.21 C ATOM 673 CG2 VAL A 65 -23.754 10.385 -12.336 1.00 21.04 C ATOM 0 H VAL A 65 -24.300 7.295 -13.770 1.00 50.02 H new ATOM 0 HA VAL A 65 -23.266 7.902 -11.103 1.00 5.10 H new ATOM 0 HB VAL A 65 -25.633 9.381 -12.320 1.00 50.01 H new ATOM 0 HG11 VAL A 65 -25.491 10.750 -10.280 1.00 74.21 H new ATOM 0 HG12 VAL A 65 -25.794 9.036 -9.906 1.00 74.21 H new ATOM 0 HG13 VAL A 65 -24.166 9.721 -9.686 1.00 74.21 H new ATOM 0 HG21 VAL A 65 -24.196 11.380 -12.287 1.00 21.04 H new ATOM 0 HG22 VAL A 65 -22.818 10.376 -11.778 1.00 21.04 H new ATOM 0 HG23 VAL A 65 -23.558 10.125 -13.376 1.00 21.04 H new ATOM 683 N ASP A 66 -25.057 6.462 -10.131 1.00 12.00 N ATOM 684 CA ASP A 66 -26.007 5.491 -9.600 1.00 64.44 C ATOM 685 C ASP A 66 -27.410 6.084 -9.532 1.00 53.03 C ATOM 686 O ASP A 66 -27.696 7.103 -10.162 1.00 55.04 O ATOM 687 CB ASP A 66 -25.569 5.024 -8.211 1.00 62.22 C ATOM 688 CG ASP A 66 -25.662 3.519 -8.050 1.00 42.20 C ATOM 689 OD1 ASP A 66 -25.334 2.798 -9.015 1.00 54.24 O ATOM 690 OD2 ASP A 66 -26.063 3.063 -6.959 1.00 22.32 O ATOM 0 H ASP A 66 -24.316 6.726 -9.481 1.00 12.00 H new ATOM 0 HA ASP A 66 -26.027 4.634 -10.273 1.00 64.44 H new ATOM 0 HB2 ASP A 66 -24.542 5.343 -8.031 1.00 62.22 H new ATOM 0 HB3 ASP A 66 -26.190 5.506 -7.456 1.00 62.22 H new ATOM 695 N LEU A 67 -28.283 5.440 -8.765 1.00 23.10 N ATOM 696 CA LEU A 67 -29.658 5.903 -8.615 1.00 1.11 C ATOM 697 C LEU A 67 -29.797 6.809 -7.396 1.00 34.14 C ATOM 698 O LEU A 67 -30.899 7.016 -6.886 1.00 62.43 O ATOM 699 CB LEU A 67 -30.608 4.711 -8.490 1.00 23.40 C ATOM 700 CG LEU A 67 -30.169 3.601 -7.534 1.00 73.41 C ATOM 701 CD1 LEU A 67 -29.197 2.656 -8.223 1.00 71.23 C ATOM 702 CD2 LEU A 67 -29.542 4.193 -6.281 1.00 11.14 C ATOM 0 H LEU A 67 -28.063 4.595 -8.237 1.00 23.10 H new ATOM 0 HA LEU A 67 -29.921 6.477 -9.503 1.00 1.11 H new ATOM 0 HB2 LEU A 67 -31.581 5.080 -8.165 1.00 23.40 H new ATOM 0 HB3 LEU A 67 -30.746 4.277 -9.480 1.00 23.40 H new ATOM 0 HG LEU A 67 -31.051 3.032 -7.240 1.00 73.41 H new ATOM 0 HD11 LEU A 67 -28.896 1.873 -7.527 1.00 71.23 H new ATOM 0 HD12 LEU A 67 -29.680 2.205 -9.090 1.00 71.23 H new ATOM 0 HD13 LEU A 67 -28.317 3.212 -8.547 1.00 71.23 H new ATOM 0 HD21 LEU A 67 -29.236 3.388 -5.612 1.00 11.14 H new ATOM 0 HD22 LEU A 67 -28.671 4.788 -6.556 1.00 11.14 H new ATOM 0 HD23 LEU A 67 -30.270 4.828 -5.775 1.00 11.14 H new ATOM 714 N SER A 68 -28.674 7.348 -6.934 1.00 2.31 N ATOM 715 CA SER A 68 -28.670 8.231 -5.773 1.00 53.23 C ATOM 716 C SER A 68 -29.410 7.592 -4.602 1.00 63.40 C ATOM 717 O SER A 68 -30.420 8.115 -4.131 1.00 23.10 O ATOM 718 CB SER A 68 -29.314 9.574 -6.125 1.00 62.35 C ATOM 719 OG SER A 68 -29.041 9.933 -7.469 1.00 13.12 O ATOM 0 H SER A 68 -27.754 7.189 -7.346 1.00 2.31 H new ATOM 0 HA SER A 68 -27.634 8.398 -5.478 1.00 53.23 H new ATOM 0 HB2 SER A 68 -30.392 9.515 -5.973 1.00 62.35 H new ATOM 0 HB3 SER A 68 -28.939 10.348 -5.455 1.00 62.35 H new ATOM 0 HG SER A 68 -29.464 10.794 -7.670 1.00 13.12 H new ATOM 725 N ASP A 69 -28.899 6.457 -4.137 1.00 70.11 N ATOM 726 CA ASP A 69 -29.509 5.745 -3.020 1.00 71.11 C ATOM 727 C ASP A 69 -29.192 6.436 -1.697 1.00 74.34 C ATOM 728 O ASP A 69 -28.092 6.954 -1.504 1.00 35.20 O ATOM 729 CB ASP A 69 -29.020 4.296 -2.983 1.00 12.10 C ATOM 730 CG ASP A 69 -30.143 3.300 -3.198 1.00 12.53 C ATOM 731 OD1 ASP A 69 -31.112 3.643 -3.907 1.00 74.35 O ATOM 732 OD2 ASP A 69 -30.053 2.179 -2.657 1.00 25.22 O ATOM 0 H ASP A 69 -28.064 6.010 -4.516 1.00 70.11 H new ATOM 0 HA ASP A 69 -30.590 5.752 -3.163 1.00 71.11 H new ATOM 0 HB2 ASP A 69 -28.259 4.153 -3.750 1.00 12.10 H new ATOM 0 HB3 ASP A 69 -28.544 4.101 -2.022 1.00 12.10 H new ATOM 737 N ASP A 70 -30.163 6.440 -0.791 1.00 35.01 N ATOM 738 CA ASP A 70 -29.989 7.067 0.514 1.00 4.10 C ATOM 739 C ASP A 70 -29.029 6.258 1.381 1.00 1.54 C ATOM 740 O ASP A 70 -28.608 6.710 2.445 1.00 5.41 O ATOM 741 CB ASP A 70 -31.338 7.209 1.220 1.00 3.23 C ATOM 742 CG ASP A 70 -31.365 8.377 2.187 1.00 20.52 C ATOM 743 OD1 ASP A 70 -30.869 9.462 1.820 1.00 11.02 O ATOM 744 OD2 ASP A 70 -31.881 8.204 3.311 1.00 14.44 O ATOM 0 H ASP A 70 -31.079 6.016 -0.936 1.00 35.01 H new ATOM 0 HA ASP A 70 -29.563 8.059 0.360 1.00 4.10 H new ATOM 0 HB2 ASP A 70 -32.123 7.340 0.475 1.00 3.23 H new ATOM 0 HB3 ASP A 70 -31.561 6.289 1.760 1.00 3.23 H new ATOM 749 N ASN A 71 -28.689 5.060 0.919 1.00 21.42 N ATOM 750 CA ASN A 71 -27.780 4.187 1.654 1.00 72.22 C ATOM 751 C ASN A 71 -26.497 3.949 0.864 1.00 4.51 C ATOM 752 O ASN A 71 -25.531 3.389 1.383 1.00 74.55 O ATOM 753 CB ASN A 71 -28.459 2.850 1.959 1.00 11.11 C ATOM 754 CG ASN A 71 -29.155 2.850 3.306 1.00 32.54 C ATOM 755 OD1 ASN A 71 -30.247 3.399 3.454 1.00 41.33 O ATOM 756 ND2 ASN A 71 -28.525 2.231 4.298 1.00 64.33 N ATOM 0 H ASN A 71 -29.029 4.671 0.039 1.00 21.42 H new ATOM 0 HA ASN A 71 -27.523 4.679 2.592 1.00 72.22 H new ATOM 0 HB2 ASN A 71 -29.186 2.628 1.177 1.00 11.11 H new ATOM 0 HB3 ASN A 71 -27.715 2.054 1.938 1.00 11.11 H new ATOM 0 HD21 ASN A 71 -28.945 2.198 5.227 1.00 64.33 H new ATOM 0 HD22 ASN A 71 -27.621 1.789 4.131 1.00 64.33 H new ATOM 763 N SER A 72 -26.493 4.381 -0.393 1.00 54.01 N ATOM 764 CA SER A 72 -25.330 4.213 -1.256 1.00 71.11 C ATOM 765 C SER A 72 -24.796 5.565 -1.717 1.00 44.51 C ATOM 766 O SER A 72 -23.745 6.017 -1.265 1.00 5.23 O ATOM 767 CB SER A 72 -25.689 3.353 -2.470 1.00 2.04 C ATOM 768 OG SER A 72 -24.990 2.121 -2.446 1.00 65.31 O ATOM 0 H SER A 72 -27.283 4.850 -0.837 1.00 54.01 H new ATOM 0 HA SER A 72 -24.552 3.711 -0.681 1.00 71.11 H new ATOM 0 HB2 SER A 72 -26.763 3.165 -2.482 1.00 2.04 H new ATOM 0 HB3 SER A 72 -25.449 3.893 -3.386 1.00 2.04 H new ATOM 0 HG SER A 72 -25.238 1.589 -3.231 1.00 65.31 H new ATOM 774 N GLY A 73 -25.529 6.207 -2.622 1.00 2.53 N ATOM 775 CA GLY A 73 -25.114 7.502 -3.130 1.00 24.20 C ATOM 776 C GLY A 73 -23.682 7.497 -3.628 1.00 60.02 C ATOM 777 O GLY A 73 -22.753 7.789 -2.875 1.00 31.24 O ATOM 0 H GLY A 73 -26.403 5.854 -3.012 1.00 2.53 H new ATOM 0 HA2 GLY A 73 -25.777 7.800 -3.942 1.00 24.20 H new ATOM 0 HA3 GLY A 73 -25.219 8.249 -2.343 1.00 24.20 H new ATOM 781 N LYS A 74 -23.501 7.163 -4.901 1.00 54.05 N ATOM 782 CA LYS A 74 -22.173 7.120 -5.501 1.00 1.42 C ATOM 783 C LYS A 74 -22.250 7.328 -7.010 1.00 60.20 C ATOM 784 O LYS A 74 -23.337 7.429 -7.577 1.00 53.03 O ATOM 785 CB LYS A 74 -21.495 5.783 -5.193 1.00 42.41 C ATOM 786 CG LYS A 74 -22.289 4.576 -5.661 1.00 15.52 C ATOM 787 CD LYS A 74 -21.412 3.342 -5.777 1.00 24.43 C ATOM 788 CE LYS A 74 -22.245 2.072 -5.865 1.00 45.03 C ATOM 789 NZ LYS A 74 -23.043 1.845 -4.629 1.00 22.11 N ATOM 0 H LYS A 74 -24.259 6.918 -5.538 1.00 54.05 H new ATOM 0 HA LYS A 74 -21.581 7.928 -5.071 1.00 1.42 H new ATOM 0 HB2 LYS A 74 -20.513 5.766 -5.665 1.00 42.41 H new ATOM 0 HB3 LYS A 74 -21.333 5.706 -4.118 1.00 42.41 H new ATOM 0 HG2 LYS A 74 -23.102 4.381 -4.962 1.00 15.52 H new ATOM 0 HG3 LYS A 74 -22.745 4.792 -6.627 1.00 15.52 H new ATOM 0 HD2 LYS A 74 -20.780 3.426 -6.661 1.00 24.43 H new ATOM 0 HD3 LYS A 74 -20.748 3.284 -4.914 1.00 24.43 H new ATOM 0 HE2 LYS A 74 -22.914 2.136 -6.723 1.00 45.03 H new ATOM 0 HE3 LYS A 74 -21.589 1.218 -6.035 1.00 45.03 H new ATOM 0 HZ1 LYS A 74 -23.292 0.838 -4.557 1.00 22.11 H new ATOM 0 HZ2 LYS A 74 -22.483 2.124 -3.798 1.00 22.11 H new ATOM 0 HZ3 LYS A 74 -23.912 2.414 -4.668 1.00 22.11 H new ATOM 803 N ALA A 75 -21.089 7.389 -7.654 1.00 72.24 N ATOM 804 CA ALA A 75 -21.026 7.580 -9.098 1.00 11.40 C ATOM 805 C ALA A 75 -19.639 7.245 -9.636 1.00 72.01 C ATOM 806 O ALA A 75 -18.745 6.865 -8.880 1.00 62.44 O ATOM 807 CB ALA A 75 -21.402 9.010 -9.458 1.00 13.14 C ATOM 0 H ALA A 75 -20.180 7.309 -7.199 1.00 72.24 H new ATOM 0 HA ALA A 75 -21.741 6.900 -9.561 1.00 11.40 H new ATOM 0 HB1 ALA A 75 -21.351 9.139 -10.539 1.00 13.14 H new ATOM 0 HB2 ALA A 75 -22.416 9.217 -9.116 1.00 13.14 H new ATOM 0 HB3 ALA A 75 -20.709 9.700 -8.977 1.00 13.14 H new ATOM 813 N TYR A 76 -19.468 7.388 -10.946 1.00 24.45 N ATOM 814 CA TYR A 76 -18.190 7.097 -11.585 1.00 71.41 C ATOM 815 C TYR A 76 -17.931 8.053 -12.745 1.00 52.02 C ATOM 816 O TYR A 76 -18.768 8.207 -13.636 1.00 2.15 O ATOM 817 CB TYR A 76 -18.164 5.651 -12.086 1.00 1.45 C ATOM 818 CG TYR A 76 -18.923 4.690 -11.199 1.00 23.20 C ATOM 819 CD1 TYR A 76 -20.291 4.505 -11.352 1.00 70.33 C ATOM 820 CD2 TYR A 76 -18.271 3.966 -10.209 1.00 24.55 C ATOM 821 CE1 TYR A 76 -20.988 3.628 -10.544 1.00 32.10 C ATOM 822 CE2 TYR A 76 -18.959 3.085 -9.397 1.00 14.35 C ATOM 823 CZ TYR A 76 -20.318 2.920 -9.568 1.00 10.42 C ATOM 824 OH TYR A 76 -21.009 2.045 -8.762 1.00 23.24 O ATOM 0 H TYR A 76 -20.198 7.703 -11.585 1.00 24.45 H new ATOM 0 HA TYR A 76 -17.403 7.232 -10.843 1.00 71.41 H new ATOM 0 HB2 TYR A 76 -18.586 5.616 -13.091 1.00 1.45 H new ATOM 0 HB3 TYR A 76 -17.128 5.320 -12.163 1.00 1.45 H new ATOM 0 HD1 TYR A 76 -20.819 5.056 -12.116 1.00 70.33 H new ATOM 0 HD2 TYR A 76 -17.207 4.094 -10.072 1.00 24.55 H new ATOM 0 HE1 TYR A 76 -22.052 3.497 -10.676 1.00 32.10 H new ATOM 0 HE2 TYR A 76 -18.436 2.529 -8.633 1.00 14.35 H new ATOM 0 HH TYR A 76 -20.390 1.626 -8.128 1.00 23.24 H new ATOM 834 N ILE A 77 -16.766 8.692 -12.728 1.00 15.24 N ATOM 835 CA ILE A 77 -16.396 9.632 -13.778 1.00 45.21 C ATOM 836 C ILE A 77 -15.293 9.060 -14.663 1.00 55.34 C ATOM 837 O ILE A 77 -14.155 8.892 -14.226 1.00 12.22 O ATOM 838 CB ILE A 77 -15.922 10.975 -13.191 1.00 22.33 C ATOM 839 CG1 ILE A 77 -16.907 11.468 -12.129 1.00 55.25 C ATOM 840 CG2 ILE A 77 -15.762 12.009 -14.295 1.00 12.12 C ATOM 841 CD1 ILE A 77 -16.501 12.777 -11.490 1.00 12.25 C ATOM 0 H ILE A 77 -16.063 8.576 -11.999 1.00 15.24 H new ATOM 0 HA ILE A 77 -17.290 9.803 -14.378 1.00 45.21 H new ATOM 0 HB ILE A 77 -14.952 10.826 -12.718 1.00 22.33 H new ATOM 0 HG12 ILE A 77 -17.891 11.585 -12.584 1.00 55.25 H new ATOM 0 HG13 ILE A 77 -17.003 10.708 -11.353 1.00 55.25 H new ATOM 0 HG21 ILE A 77 -15.427 12.952 -13.864 1.00 12.12 H new ATOM 0 HG22 ILE A 77 -15.026 11.658 -15.018 1.00 12.12 H new ATOM 0 HG23 ILE A 77 -16.719 12.158 -14.795 1.00 12.12 H new ATOM 0 HD11 ILE A 77 -17.245 13.066 -10.748 1.00 12.25 H new ATOM 0 HD12 ILE A 77 -15.531 12.660 -11.006 1.00 12.25 H new ATOM 0 HD13 ILE A 77 -16.433 13.550 -12.255 1.00 12.25 H new ATOM 853 N VAL A 78 -15.639 8.764 -15.912 1.00 51.54 N ATOM 854 CA VAL A 78 -14.679 8.214 -16.861 1.00 44.24 C ATOM 855 C VAL A 78 -13.902 9.323 -17.563 1.00 33.11 C ATOM 856 O VAL A 78 -14.490 10.229 -18.153 1.00 51.45 O ATOM 857 CB VAL A 78 -15.375 7.340 -17.921 1.00 42.25 C ATOM 858 CG1 VAL A 78 -14.347 6.589 -18.753 1.00 63.23 C ATOM 859 CG2 VAL A 78 -16.347 6.374 -17.260 1.00 44.44 C ATOM 0 H VAL A 78 -16.577 8.896 -16.290 1.00 51.54 H new ATOM 0 HA VAL A 78 -13.987 7.596 -16.288 1.00 44.24 H new ATOM 0 HB VAL A 78 -15.941 7.990 -18.588 1.00 42.25 H new ATOM 0 HG11 VAL A 78 -14.858 5.977 -19.496 1.00 63.23 H new ATOM 0 HG12 VAL A 78 -13.695 7.303 -19.256 1.00 63.23 H new ATOM 0 HG13 VAL A 78 -13.751 5.948 -18.103 1.00 63.23 H new ATOM 0 HG21 VAL A 78 -16.830 5.764 -18.024 1.00 44.44 H new ATOM 0 HG22 VAL A 78 -15.805 5.728 -16.569 1.00 44.44 H new ATOM 0 HG23 VAL A 78 -17.104 6.937 -16.713 1.00 44.44 H new ATOM 869 N PHE A 79 -12.577 9.244 -17.495 1.00 14.54 N ATOM 870 CA PHE A 79 -11.719 10.242 -18.123 1.00 71.10 C ATOM 871 C PHE A 79 -11.014 9.661 -19.345 1.00 71.50 C ATOM 872 O PHE A 79 -11.188 8.488 -19.676 1.00 11.12 O ATOM 873 CB PHE A 79 -10.685 10.759 -17.121 1.00 44.24 C ATOM 874 CG PHE A 79 -11.254 11.714 -16.111 1.00 24.20 C ATOM 875 CD1 PHE A 79 -11.316 13.072 -16.379 1.00 70.45 C ATOM 876 CD2 PHE A 79 -11.726 11.253 -14.892 1.00 45.33 C ATOM 877 CE1 PHE A 79 -11.839 13.953 -15.452 1.00 34.20 C ATOM 878 CE2 PHE A 79 -12.250 12.129 -13.961 1.00 53.53 C ATOM 879 CZ PHE A 79 -12.306 13.481 -14.241 1.00 12.02 C ATOM 0 H PHE A 79 -12.074 8.500 -17.012 1.00 14.54 H new ATOM 0 HA PHE A 79 -12.346 11.072 -18.448 1.00 71.10 H new ATOM 0 HB2 PHE A 79 -10.242 9.911 -16.598 1.00 44.24 H new ATOM 0 HB3 PHE A 79 -9.880 11.254 -17.664 1.00 44.24 H new ATOM 0 HD1 PHE A 79 -10.951 13.446 -17.324 1.00 70.45 H new ATOM 0 HD2 PHE A 79 -11.684 10.197 -14.668 1.00 45.33 H new ATOM 0 HE1 PHE A 79 -11.883 15.009 -15.674 1.00 34.20 H new ATOM 0 HE2 PHE A 79 -12.616 11.757 -13.015 1.00 53.53 H new ATOM 0 HZ PHE A 79 -12.714 14.167 -13.514 1.00 12.02 H new ATOM 889 N ALA A 80 -10.218 10.490 -20.012 1.00 30.02 N ATOM 890 CA ALA A 80 -9.485 10.059 -21.196 1.00 15.01 C ATOM 891 C ALA A 80 -8.492 8.953 -20.855 1.00 12.32 C ATOM 892 O ALA A 80 -8.342 7.986 -21.602 1.00 50.34 O ATOM 893 CB ALA A 80 -8.766 11.240 -21.830 1.00 50.13 C ATOM 0 H ALA A 80 -10.064 11.464 -19.752 1.00 30.02 H new ATOM 0 HA ALA A 80 -10.203 9.658 -21.912 1.00 15.01 H new ATOM 0 HB1 ALA A 80 -8.223 10.904 -22.713 1.00 50.13 H new ATOM 0 HB2 ALA A 80 -9.495 11.997 -22.119 1.00 50.13 H new ATOM 0 HB3 ALA A 80 -8.064 11.666 -21.113 1.00 50.13 H new ATOM 899 N THR A 81 -7.814 9.102 -19.721 1.00 14.12 N ATOM 900 CA THR A 81 -6.834 8.117 -19.282 1.00 0.34 C ATOM 901 C THR A 81 -6.463 8.326 -17.818 1.00 31.42 C ATOM 902 O THR A 81 -6.800 9.349 -17.223 1.00 60.10 O ATOM 903 CB THR A 81 -5.555 8.178 -20.137 1.00 45.12 C ATOM 904 OG1 THR A 81 -5.723 9.119 -21.204 1.00 24.24 O ATOM 905 CG2 THR A 81 -5.221 6.809 -20.710 1.00 20.20 C ATOM 0 H THR A 81 -7.926 9.896 -19.090 1.00 14.12 H new ATOM 0 HA THR A 81 -7.296 7.137 -19.401 1.00 0.34 H new ATOM 0 HB THR A 81 -4.732 8.497 -19.497 1.00 45.12 H new ATOM 0 HG1 THR A 81 -4.905 9.153 -21.742 1.00 24.24 H new ATOM 0 HG21 THR A 81 -4.314 6.877 -21.310 1.00 20.20 H new ATOM 0 HG22 THR A 81 -5.065 6.102 -19.895 1.00 20.20 H new ATOM 0 HG23 THR A 81 -6.045 6.466 -21.336 1.00 20.20 H new ATOM 913 N GLN A 82 -5.767 7.349 -17.244 1.00 14.43 N ATOM 914 CA GLN A 82 -5.351 7.427 -15.848 1.00 51.34 C ATOM 915 C GLN A 82 -4.622 8.738 -15.570 1.00 60.32 C ATOM 916 O GLN A 82 -4.663 9.256 -14.455 1.00 51.42 O ATOM 917 CB GLN A 82 -4.449 6.243 -15.497 1.00 1.24 C ATOM 918 CG GLN A 82 -4.631 5.742 -14.073 1.00 61.42 C ATOM 919 CD GLN A 82 -3.498 6.160 -13.157 1.00 44.34 C ATOM 920 OE1 GLN A 82 -2.869 7.199 -13.364 1.00 22.34 O ATOM 921 NE2 GLN A 82 -3.231 5.352 -12.138 1.00 44.30 N ATOM 0 H GLN A 82 -5.480 6.496 -17.723 1.00 14.43 H new ATOM 0 HA GLN A 82 -6.245 7.391 -15.225 1.00 51.34 H new ATOM 0 HB2 GLN A 82 -4.650 5.426 -16.190 1.00 1.24 H new ATOM 0 HB3 GLN A 82 -3.409 6.534 -15.641 1.00 1.24 H new ATOM 0 HG2 GLN A 82 -5.573 6.122 -13.676 1.00 61.42 H new ATOM 0 HG3 GLN A 82 -4.704 4.654 -14.081 1.00 61.42 H new ATOM 0 HE21 GLN A 82 -3.778 4.501 -12.005 1.00 44.30 H new ATOM 0 HE22 GLN A 82 -2.479 5.582 -11.488 1.00 44.30 H new ATOM 930 N GLU A 83 -3.955 9.267 -16.591 1.00 72.44 N ATOM 931 CA GLU A 83 -3.216 10.516 -16.455 1.00 40.11 C ATOM 932 C GLU A 83 -4.137 11.647 -16.008 1.00 55.54 C ATOM 933 O GLU A 83 -3.843 12.360 -15.049 1.00 11.02 O ATOM 934 CB GLU A 83 -2.544 10.884 -17.779 1.00 63.05 C ATOM 935 CG GLU A 83 -1.103 10.412 -17.882 1.00 40.43 C ATOM 936 CD GLU A 83 -0.152 11.256 -17.056 1.00 14.43 C ATOM 937 OE1 GLU A 83 -0.242 12.499 -17.132 1.00 53.52 O ATOM 938 OE2 GLU A 83 0.682 10.673 -16.332 1.00 35.12 O ATOM 0 H GLU A 83 -3.911 8.850 -17.521 1.00 72.44 H new ATOM 0 HA GLU A 83 -2.449 10.373 -15.694 1.00 40.11 H new ATOM 0 HB2 GLU A 83 -3.118 10.454 -18.600 1.00 63.05 H new ATOM 0 HB3 GLU A 83 -2.573 11.967 -17.903 1.00 63.05 H new ATOM 0 HG2 GLU A 83 -1.040 9.374 -17.554 1.00 40.43 H new ATOM 0 HG3 GLU A 83 -0.791 10.436 -18.926 1.00 40.43 H new ATOM 945 N SER A 84 -5.254 11.806 -16.712 1.00 41.21 N ATOM 946 CA SER A 84 -6.217 12.853 -16.392 1.00 10.23 C ATOM 947 C SER A 84 -6.985 12.514 -15.118 1.00 21.32 C ATOM 948 O SER A 84 -7.161 13.360 -14.242 1.00 23.11 O ATOM 949 CB SER A 84 -7.194 13.049 -17.553 1.00 0.34 C ATOM 950 OG SER A 84 -6.784 14.117 -18.390 1.00 23.43 O ATOM 0 H SER A 84 -5.514 11.223 -17.508 1.00 41.21 H new ATOM 0 HA SER A 84 -5.667 13.780 -16.228 1.00 10.23 H new ATOM 0 HB2 SER A 84 -7.260 12.130 -18.136 1.00 0.34 H new ATOM 0 HB3 SER A 84 -8.192 13.251 -17.163 1.00 0.34 H new ATOM 0 HG SER A 84 -7.424 14.221 -19.125 1.00 23.43 H new ATOM 956 N ALA A 85 -7.440 11.269 -15.023 1.00 20.31 N ATOM 957 CA ALA A 85 -8.187 10.815 -13.856 1.00 52.34 C ATOM 958 C ALA A 85 -7.423 11.104 -12.569 1.00 21.23 C ATOM 959 O ALA A 85 -7.938 11.763 -11.666 1.00 24.21 O ATOM 960 CB ALA A 85 -8.492 9.329 -13.970 1.00 30.02 C ATOM 0 H ALA A 85 -7.304 10.557 -15.740 1.00 20.31 H new ATOM 0 HA ALA A 85 -9.127 11.365 -13.820 1.00 52.34 H new ATOM 0 HB1 ALA A 85 -9.050 9.004 -13.092 1.00 30.02 H new ATOM 0 HB2 ALA A 85 -9.086 9.147 -14.865 1.00 30.02 H new ATOM 0 HB3 ALA A 85 -7.559 8.770 -14.034 1.00 30.02 H new ATOM 966 N GLN A 86 -6.193 10.605 -12.492 1.00 12.33 N ATOM 967 CA GLN A 86 -5.359 10.809 -11.313 1.00 13.20 C ATOM 968 C GLN A 86 -5.186 12.296 -11.019 1.00 63.45 C ATOM 969 O GLN A 86 -5.094 12.703 -9.862 1.00 2.01 O ATOM 970 CB GLN A 86 -3.992 10.153 -11.510 1.00 63.11 C ATOM 971 CG GLN A 86 -3.003 10.462 -10.398 1.00 22.44 C ATOM 972 CD GLN A 86 -1.804 9.533 -10.408 1.00 52.51 C ATOM 973 OE1 GLN A 86 -1.040 9.499 -11.373 1.00 22.31 O ATOM 974 NE2 GLN A 86 -1.633 8.775 -9.332 1.00 33.41 N ATOM 0 H GLN A 86 -5.752 10.057 -13.231 1.00 12.33 H new ATOM 0 HA GLN A 86 -5.857 10.345 -10.462 1.00 13.20 H new ATOM 0 HB2 GLN A 86 -4.123 9.073 -11.579 1.00 63.11 H new ATOM 0 HB3 GLN A 86 -3.573 10.484 -12.460 1.00 63.11 H new ATOM 0 HG2 GLN A 86 -2.661 11.492 -10.497 1.00 22.44 H new ATOM 0 HG3 GLN A 86 -3.509 10.386 -9.436 1.00 22.44 H new ATOM 0 HE21 GLN A 86 -2.291 8.836 -8.555 1.00 33.41 H new ATOM 0 HE22 GLN A 86 -0.843 8.131 -9.282 1.00 33.41 H new ATOM 983 N ALA A 87 -5.141 13.101 -12.076 1.00 11.13 N ATOM 984 CA ALA A 87 -4.980 14.542 -11.931 1.00 11.51 C ATOM 985 C ALA A 87 -6.188 15.163 -11.237 1.00 22.24 C ATOM 986 O ALA A 87 -6.042 15.995 -10.341 1.00 21.44 O ATOM 987 CB ALA A 87 -4.762 15.188 -13.291 1.00 44.41 C ATOM 0 H ALA A 87 -5.214 12.779 -13.041 1.00 11.13 H new ATOM 0 HA ALA A 87 -4.103 14.723 -11.309 1.00 11.51 H new ATOM 0 HB1 ALA A 87 -4.643 16.264 -13.168 1.00 44.41 H new ATOM 0 HB2 ALA A 87 -3.864 14.774 -13.751 1.00 44.41 H new ATOM 0 HB3 ALA A 87 -5.622 14.989 -13.930 1.00 44.41 H new ATOM 993 N PHE A 88 -7.380 14.754 -11.656 1.00 75.41 N ATOM 994 CA PHE A 88 -8.614 15.271 -11.075 1.00 71.23 C ATOM 995 C PHE A 88 -8.849 14.684 -9.687 1.00 35.52 C ATOM 996 O PHE A 88 -9.379 15.352 -8.799 1.00 3.40 O ATOM 997 CB PHE A 88 -9.803 14.953 -11.984 1.00 72.22 C ATOM 998 CG PHE A 88 -11.136 15.198 -11.336 1.00 24.12 C ATOM 999 CD1 PHE A 88 -11.757 14.201 -10.600 1.00 43.32 C ATOM 1000 CD2 PHE A 88 -11.767 16.425 -11.461 1.00 61.24 C ATOM 1001 CE1 PHE A 88 -12.983 14.424 -10.003 1.00 51.13 C ATOM 1002 CE2 PHE A 88 -12.993 16.654 -10.866 1.00 73.43 C ATOM 1003 CZ PHE A 88 -13.602 15.652 -10.135 1.00 44.04 C ATOM 0 H PHE A 88 -7.518 14.066 -12.396 1.00 75.41 H new ATOM 0 HA PHE A 88 -8.517 16.353 -10.981 1.00 71.23 H new ATOM 0 HB2 PHE A 88 -9.731 15.558 -12.888 1.00 72.22 H new ATOM 0 HB3 PHE A 88 -9.745 13.909 -12.293 1.00 72.22 H new ATOM 0 HD1 PHE A 88 -11.277 13.239 -10.492 1.00 43.32 H new ATOM 0 HD2 PHE A 88 -11.295 17.212 -12.030 1.00 61.24 H new ATOM 0 HE1 PHE A 88 -13.457 13.639 -9.433 1.00 51.13 H new ATOM 0 HE2 PHE A 88 -13.475 17.615 -10.972 1.00 73.43 H new ATOM 0 HZ PHE A 88 -14.560 15.828 -9.668 1.00 44.04 H new ATOM 1013 N VAL A 89 -8.453 13.428 -9.507 1.00 23.41 N ATOM 1014 CA VAL A 89 -8.619 12.749 -8.227 1.00 54.12 C ATOM 1015 C VAL A 89 -7.742 13.380 -7.152 1.00 43.21 C ATOM 1016 O VAL A 89 -8.171 13.557 -6.013 1.00 4.44 O ATOM 1017 CB VAL A 89 -8.279 11.251 -8.338 1.00 35.02 C ATOM 1018 CG1 VAL A 89 -8.378 10.579 -6.977 1.00 34.12 C ATOM 1019 CG2 VAL A 89 -9.194 10.571 -9.345 1.00 61.42 C ATOM 0 H VAL A 89 -8.015 12.860 -10.232 1.00 23.41 H new ATOM 0 HA VAL A 89 -9.667 12.856 -7.946 1.00 54.12 H new ATOM 0 HB VAL A 89 -7.252 11.154 -8.691 1.00 35.02 H new ATOM 0 HG11 VAL A 89 -8.134 9.521 -7.075 1.00 34.12 H new ATOM 0 HG12 VAL A 89 -7.678 11.050 -6.287 1.00 34.12 H new ATOM 0 HG13 VAL A 89 -9.393 10.684 -6.593 1.00 34.12 H new ATOM 0 HG21 VAL A 89 -8.940 9.513 -9.411 1.00 61.42 H new ATOM 0 HG22 VAL A 89 -10.230 10.676 -9.024 1.00 61.42 H new ATOM 0 HG23 VAL A 89 -9.068 11.036 -10.323 1.00 61.42 H new ATOM 1029 N GLU A 90 -6.511 13.718 -7.524 1.00 23.43 N ATOM 1030 CA GLU A 90 -5.572 14.329 -6.590 1.00 53.10 C ATOM 1031 C GLU A 90 -5.833 15.827 -6.459 1.00 35.23 C ATOM 1032 O GLU A 90 -5.506 16.438 -5.442 1.00 60.10 O ATOM 1033 CB GLU A 90 -4.132 14.090 -7.049 1.00 75.32 C ATOM 1034 CG GLU A 90 -3.700 14.993 -8.192 1.00 21.20 C ATOM 1035 CD GLU A 90 -2.895 16.188 -7.719 1.00 32.32 C ATOM 1036 OE1 GLU A 90 -1.949 15.991 -6.929 1.00 24.04 O ATOM 1037 OE2 GLU A 90 -3.213 17.320 -8.139 1.00 44.14 O ATOM 0 H GLU A 90 -6.141 13.579 -8.464 1.00 23.43 H new ATOM 0 HA GLU A 90 -5.716 13.865 -5.614 1.00 53.10 H new ATOM 0 HB2 GLU A 90 -3.460 14.241 -6.204 1.00 75.32 H new ATOM 0 HB3 GLU A 90 -4.026 13.050 -7.358 1.00 75.32 H new ATOM 0 HG2 GLU A 90 -3.105 14.417 -8.901 1.00 21.20 H new ATOM 0 HG3 GLU A 90 -4.583 15.343 -8.727 1.00 21.20 H new ATOM 1044 N ALA A 91 -6.425 16.411 -7.495 1.00 40.43 N ATOM 1045 CA ALA A 91 -6.732 17.836 -7.496 1.00 43.41 C ATOM 1046 C ALA A 91 -7.948 18.137 -6.627 1.00 22.35 C ATOM 1047 O ALA A 91 -8.112 19.254 -6.136 1.00 31.11 O ATOM 1048 CB ALA A 91 -6.963 18.326 -8.918 1.00 74.41 C ATOM 0 H ALA A 91 -6.702 15.919 -8.345 1.00 40.43 H new ATOM 0 HA ALA A 91 -5.877 18.366 -7.075 1.00 43.41 H new ATOM 0 HB1 ALA A 91 -7.191 19.392 -8.903 1.00 74.41 H new ATOM 0 HB2 ALA A 91 -6.065 18.155 -9.512 1.00 74.41 H new ATOM 0 HB3 ALA A 91 -7.798 17.782 -9.359 1.00 74.41 H new ATOM 1054 N PHE A 92 -8.798 17.133 -6.440 1.00 33.21 N ATOM 1055 CA PHE A 92 -10.001 17.290 -5.630 1.00 51.35 C ATOM 1056 C PHE A 92 -10.008 16.301 -4.469 1.00 75.30 C ATOM 1057 O PHE A 92 -10.993 16.194 -3.738 1.00 4.31 O ATOM 1058 CB PHE A 92 -11.250 17.093 -6.492 1.00 34.25 C ATOM 1059 CG PHE A 92 -11.515 18.232 -7.434 1.00 13.23 C ATOM 1060 CD1 PHE A 92 -10.622 18.530 -8.450 1.00 74.35 C ATOM 1061 CD2 PHE A 92 -12.657 19.006 -7.302 1.00 51.01 C ATOM 1062 CE1 PHE A 92 -10.863 19.577 -9.319 1.00 53.25 C ATOM 1063 CE2 PHE A 92 -12.904 20.054 -8.168 1.00 45.43 C ATOM 1064 CZ PHE A 92 -12.005 20.341 -9.177 1.00 40.24 C ATOM 0 H PHE A 92 -8.676 16.202 -6.838 1.00 33.21 H new ATOM 0 HA PHE A 92 -10.005 18.301 -5.222 1.00 51.35 H new ATOM 0 HB2 PHE A 92 -11.143 16.174 -7.068 1.00 34.25 H new ATOM 0 HB3 PHE A 92 -12.114 16.962 -5.841 1.00 34.25 H new ATOM 0 HD1 PHE A 92 -9.727 17.937 -8.564 1.00 74.35 H new ATOM 0 HD2 PHE A 92 -13.362 18.788 -6.513 1.00 51.01 H new ATOM 0 HE1 PHE A 92 -10.159 19.798 -10.108 1.00 53.25 H new ATOM 0 HE2 PHE A 92 -13.799 20.648 -8.056 1.00 45.43 H new ATOM 0 HZ PHE A 92 -12.195 21.161 -9.854 1.00 40.24 H new ATOM 1074 N GLN A 93 -8.904 15.579 -4.307 1.00 72.04 N ATOM 1075 CA GLN A 93 -8.784 14.597 -3.236 1.00 41.12 C ATOM 1076 C GLN A 93 -9.216 15.193 -1.901 1.00 33.15 C ATOM 1077 O GLN A 93 -9.766 14.497 -1.048 1.00 20.12 O ATOM 1078 CB GLN A 93 -7.344 14.090 -3.140 1.00 2.23 C ATOM 1079 CG GLN A 93 -7.046 13.347 -1.848 1.00 21.43 C ATOM 1080 CD GLN A 93 -5.629 12.810 -1.797 1.00 31.42 C ATOM 1081 OE1 GLN A 93 -4.757 13.255 -2.543 1.00 60.13 O ATOM 1082 NE2 GLN A 93 -5.392 11.847 -0.913 1.00 41.22 N ATOM 0 H GLN A 93 -8.080 15.656 -4.904 1.00 72.04 H new ATOM 0 HA GLN A 93 -9.442 13.760 -3.469 1.00 41.12 H new ATOM 0 HB2 GLN A 93 -7.143 13.430 -3.984 1.00 2.23 H new ATOM 0 HB3 GLN A 93 -6.663 14.936 -3.228 1.00 2.23 H new ATOM 0 HG2 GLN A 93 -7.207 14.016 -1.003 1.00 21.43 H new ATOM 0 HG3 GLN A 93 -7.748 12.520 -1.739 1.00 21.43 H new ATOM 0 HE21 GLN A 93 -6.145 11.508 -0.314 1.00 41.22 H new ATOM 0 HE22 GLN A 93 -4.457 11.447 -0.833 1.00 41.22 H new ATOM 1091 N GLY A 94 -8.964 16.487 -1.725 1.00 63.54 N ATOM 1092 CA GLY A 94 -9.333 17.154 -0.491 1.00 11.01 C ATOM 1093 C GLY A 94 -10.000 18.493 -0.733 1.00 50.51 C ATOM 1094 O GLY A 94 -9.483 19.535 -0.328 1.00 22.33 O ATOM 0 H GLY A 94 -8.511 17.085 -2.416 1.00 63.54 H new ATOM 0 HA2 GLY A 94 -10.007 16.513 0.077 1.00 11.01 H new ATOM 0 HA3 GLY A 94 -8.442 17.300 0.120 1.00 11.01 H new ATOM 1098 N TYR A 95 -11.150 18.468 -1.397 1.00 52.21 N ATOM 1099 CA TYR A 95 -11.887 19.690 -1.697 1.00 3.44 C ATOM 1100 C TYR A 95 -13.358 19.546 -1.321 1.00 73.51 C ATOM 1101 O TYR A 95 -13.995 18.524 -1.582 1.00 4.31 O ATOM 1102 CB TYR A 95 -11.759 20.037 -3.181 1.00 74.31 C ATOM 1103 CG TYR A 95 -12.562 21.251 -3.591 1.00 4.25 C ATOM 1104 CD1 TYR A 95 -13.914 21.145 -3.894 1.00 25.11 C ATOM 1105 CD2 TYR A 95 -11.968 22.504 -3.675 1.00 40.40 C ATOM 1106 CE1 TYR A 95 -14.650 22.252 -4.269 1.00 75.41 C ATOM 1107 CE2 TYR A 95 -12.697 23.617 -4.048 1.00 34.31 C ATOM 1108 CZ TYR A 95 -14.038 23.485 -4.344 1.00 51.22 C ATOM 1109 OH TYR A 95 -14.768 24.591 -4.717 1.00 62.54 O ATOM 0 H TYR A 95 -11.592 17.615 -1.738 1.00 52.21 H new ATOM 0 HA TYR A 95 -11.457 20.497 -1.104 1.00 3.44 H new ATOM 0 HB2 TYR A 95 -10.709 20.210 -3.416 1.00 74.31 H new ATOM 0 HB3 TYR A 95 -12.081 19.181 -3.775 1.00 74.31 H new ATOM 0 HD1 TYR A 95 -14.397 20.181 -3.835 1.00 25.11 H new ATOM 0 HD2 TYR A 95 -10.918 22.610 -3.445 1.00 40.40 H new ATOM 0 HE1 TYR A 95 -15.700 22.152 -4.502 1.00 75.41 H new ATOM 0 HE2 TYR A 95 -12.220 24.584 -4.107 1.00 34.31 H new ATOM 0 HH TYR A 95 -14.188 25.381 -4.719 1.00 62.54 H new ATOM 1119 N PRO A 96 -13.914 20.593 -0.694 1.00 24.14 N ATOM 1120 CA PRO A 96 -15.317 20.609 -0.269 1.00 64.42 C ATOM 1121 C PRO A 96 -16.279 20.681 -1.450 1.00 3.00 C ATOM 1122 O PRO A 96 -16.450 21.736 -2.060 1.00 42.54 O ATOM 1123 CB PRO A 96 -15.416 21.878 0.580 1.00 10.22 C ATOM 1124 CG PRO A 96 -14.329 22.760 0.072 1.00 45.33 C ATOM 1125 CD PRO A 96 -13.215 21.843 -0.351 1.00 24.23 C ATOM 0 HA PRO A 96 -15.592 19.700 0.266 1.00 64.42 H new ATOM 0 HB2 PRO A 96 -16.392 22.351 0.472 1.00 10.22 H new ATOM 0 HB3 PRO A 96 -15.284 21.657 1.639 1.00 10.22 H new ATOM 0 HG2 PRO A 96 -14.676 23.364 -0.766 1.00 45.33 H new ATOM 0 HG3 PRO A 96 -13.993 23.451 0.846 1.00 45.33 H new ATOM 0 HD2 PRO A 96 -12.666 22.244 -1.203 1.00 24.23 H new ATOM 0 HD3 PRO A 96 -12.492 21.692 0.451 1.00 24.23 H new ATOM 1133 N PHE A 97 -16.905 19.553 -1.767 1.00 32.32 N ATOM 1134 CA PHE A 97 -17.850 19.488 -2.876 1.00 13.45 C ATOM 1135 C PHE A 97 -19.131 18.772 -2.457 1.00 52.34 C ATOM 1136 O PHE A 97 -19.108 17.885 -1.605 1.00 42.00 O ATOM 1137 CB PHE A 97 -17.219 18.772 -4.071 1.00 21.22 C ATOM 1138 CG PHE A 97 -18.167 18.569 -5.218 1.00 13.23 C ATOM 1139 CD1 PHE A 97 -18.773 19.653 -5.833 1.00 44.11 C ATOM 1140 CD2 PHE A 97 -18.453 17.295 -5.681 1.00 12.02 C ATOM 1141 CE1 PHE A 97 -19.646 19.469 -6.888 1.00 53.30 C ATOM 1142 CE2 PHE A 97 -19.326 17.105 -6.736 1.00 1.02 C ATOM 1143 CZ PHE A 97 -19.922 18.194 -7.341 1.00 33.12 C ATOM 0 H PHE A 97 -16.775 18.671 -1.272 1.00 32.32 H new ATOM 0 HA PHE A 97 -18.103 20.508 -3.166 1.00 13.45 H new ATOM 0 HB2 PHE A 97 -16.361 19.348 -4.417 1.00 21.22 H new ATOM 0 HB3 PHE A 97 -16.842 17.802 -3.746 1.00 21.22 H new ATOM 0 HD1 PHE A 97 -18.561 20.653 -5.484 1.00 44.11 H new ATOM 0 HD2 PHE A 97 -17.988 16.440 -5.212 1.00 12.02 H new ATOM 0 HE1 PHE A 97 -20.112 20.322 -7.358 1.00 53.30 H new ATOM 0 HE2 PHE A 97 -19.542 16.106 -7.086 1.00 1.02 H new ATOM 0 HZ PHE A 97 -20.603 18.049 -8.167 1.00 33.12 H new ATOM 1153 N GLN A 98 -20.247 19.166 -3.064 1.00 23.53 N ATOM 1154 CA GLN A 98 -21.537 18.562 -2.754 1.00 15.44 C ATOM 1155 C GLN A 98 -21.842 18.665 -1.263 1.00 13.42 C ATOM 1156 O GLN A 98 -22.587 17.855 -0.714 1.00 32.32 O ATOM 1157 CB GLN A 98 -21.557 17.096 -3.190 1.00 53.51 C ATOM 1158 CG GLN A 98 -21.910 16.903 -4.656 1.00 74.00 C ATOM 1159 CD GLN A 98 -21.505 15.539 -5.179 1.00 1.01 C ATOM 1160 OE1 GLN A 98 -20.393 15.072 -4.932 1.00 3.15 O ATOM 1161 NE2 GLN A 98 -22.407 14.891 -5.906 1.00 53.45 N ATOM 0 H GLN A 98 -20.283 19.899 -3.772 1.00 23.53 H new ATOM 0 HA GLN A 98 -22.305 19.107 -3.303 1.00 15.44 H new ATOM 0 HB2 GLN A 98 -20.578 16.655 -2.999 1.00 53.51 H new ATOM 0 HB3 GLN A 98 -22.276 16.553 -2.577 1.00 53.51 H new ATOM 0 HG2 GLN A 98 -22.984 17.034 -4.787 1.00 74.00 H new ATOM 0 HG3 GLN A 98 -21.420 17.675 -5.249 1.00 74.00 H new ATOM 0 HE21 GLN A 98 -23.317 15.315 -6.086 1.00 53.45 H new ATOM 0 HE22 GLN A 98 -22.190 13.969 -6.284 1.00 53.45 H new ATOM 1170 N GLY A 99 -21.260 19.669 -0.612 1.00 74.35 N ATOM 1171 CA GLY A 99 -21.482 19.859 0.809 1.00 22.21 C ATOM 1172 C GLY A 99 -20.188 20.036 1.579 1.00 50.33 C ATOM 1173 O GLY A 99 -19.973 21.067 2.215 1.00 41.13 O ATOM 0 H GLY A 99 -20.639 20.353 -1.044 1.00 74.35 H new ATOM 0 HA2 GLY A 99 -22.114 20.734 0.961 1.00 22.21 H new ATOM 0 HA3 GLY A 99 -22.024 19.001 1.207 1.00 22.21 H new ATOM 1177 N ASN A 100 -19.325 19.027 1.523 1.00 43.35 N ATOM 1178 CA ASN A 100 -18.046 19.076 2.222 1.00 61.20 C ATOM 1179 C ASN A 100 -17.254 17.791 1.998 1.00 33.10 C ATOM 1180 O ASN A 100 -16.152 17.799 1.451 1.00 44.24 O ATOM 1181 CB ASN A 100 -18.268 19.297 3.720 1.00 71.25 C ATOM 1182 CG ASN A 100 -17.910 20.704 4.156 1.00 50.43 C ATOM 1183 OD1 ASN A 100 -16.797 21.175 3.920 1.00 52.13 O ATOM 1184 ND2 ASN A 100 -18.855 21.383 4.796 1.00 4.41 N ATOM 0 H ASN A 100 -19.488 18.166 1.001 1.00 43.35 H new ATOM 0 HA ASN A 100 -17.472 19.911 1.819 1.00 61.20 H new ATOM 0 HB2 ASN A 100 -19.312 19.099 3.963 1.00 71.25 H new ATOM 0 HB3 ASN A 100 -17.668 18.582 4.283 1.00 71.25 H new ATOM 0 HD21 ASN A 100 -18.673 22.335 5.114 1.00 4.41 H new ATOM 0 HD22 ASN A 100 -19.763 20.953 4.970 1.00 4.41 H new ATOM 1191 N PRO A 101 -17.829 16.659 2.430 1.00 32.15 N ATOM 1192 CA PRO A 101 -17.196 15.345 2.287 1.00 22.43 C ATOM 1193 C PRO A 101 -17.146 14.880 0.836 1.00 43.32 C ATOM 1194 O PRO A 101 -18.161 14.476 0.267 1.00 41.40 O ATOM 1195 CB PRO A 101 -18.099 14.424 3.112 1.00 4.04 C ATOM 1196 CG PRO A 101 -19.427 15.098 3.114 1.00 40.30 C ATOM 1197 CD PRO A 101 -19.142 16.575 3.092 1.00 31.40 C ATOM 0 HA PRO A 101 -16.158 15.355 2.618 1.00 22.43 H new ATOM 0 HB2 PRO A 101 -18.160 13.430 2.670 1.00 4.04 H new ATOM 0 HB3 PRO A 101 -17.717 14.299 4.125 1.00 4.04 H new ATOM 0 HG2 PRO A 101 -20.016 14.801 2.246 1.00 40.30 H new ATOM 0 HG3 PRO A 101 -20.002 14.825 3.999 1.00 40.30 H new ATOM 0 HD2 PRO A 101 -19.906 17.124 2.541 1.00 31.40 H new ATOM 0 HD3 PRO A 101 -19.112 16.994 4.098 1.00 31.40 H new ATOM 1205 N LEU A 102 -15.959 14.940 0.241 1.00 32.32 N ATOM 1206 CA LEU A 102 -15.777 14.524 -1.145 1.00 44.32 C ATOM 1207 C LEU A 102 -14.622 13.535 -1.270 1.00 13.02 C ATOM 1208 O LEU A 102 -13.492 13.832 -0.883 1.00 42.05 O ATOM 1209 CB LEU A 102 -15.517 15.743 -2.033 1.00 72.43 C ATOM 1210 CG LEU A 102 -15.046 15.447 -3.457 1.00 63.24 C ATOM 1211 CD1 LEU A 102 -16.169 14.828 -4.274 1.00 74.20 C ATOM 1212 CD2 LEU A 102 -14.536 16.716 -4.125 1.00 24.23 C ATOM 0 H LEU A 102 -15.109 15.273 0.697 1.00 32.32 H new ATOM 0 HA LEU A 102 -16.691 14.030 -1.473 1.00 44.32 H new ATOM 0 HB2 LEU A 102 -16.434 16.329 -2.089 1.00 72.43 H new ATOM 0 HB3 LEU A 102 -14.769 16.369 -1.547 1.00 72.43 H new ATOM 0 HG LEU A 102 -14.225 14.732 -3.405 1.00 63.24 H new ATOM 0 HD11 LEU A 102 -15.814 14.625 -5.284 1.00 74.20 H new ATOM 0 HD12 LEU A 102 -16.488 13.896 -3.807 1.00 74.20 H new ATOM 0 HD13 LEU A 102 -17.011 15.519 -4.317 1.00 74.20 H new ATOM 0 HD21 LEU A 102 -14.205 16.486 -5.138 1.00 24.23 H new ATOM 0 HD22 LEU A 102 -15.337 17.454 -4.164 1.00 24.23 H new ATOM 0 HD23 LEU A 102 -13.700 17.118 -3.552 1.00 24.23 H new ATOM 1224 N VAL A 103 -14.915 12.358 -1.814 1.00 24.12 N ATOM 1225 CA VAL A 103 -13.901 11.325 -1.993 1.00 3.52 C ATOM 1226 C VAL A 103 -13.750 10.952 -3.463 1.00 53.12 C ATOM 1227 O VAL A 103 -14.740 10.784 -4.176 1.00 35.24 O ATOM 1228 CB VAL A 103 -14.241 10.059 -1.185 1.00 23.11 C ATOM 1229 CG1 VAL A 103 -15.476 9.378 -1.754 1.00 62.33 C ATOM 1230 CG2 VAL A 103 -13.056 9.105 -1.167 1.00 60.12 C ATOM 0 H VAL A 103 -15.846 12.096 -2.138 1.00 24.12 H new ATOM 0 HA VAL A 103 -12.961 11.738 -1.628 1.00 3.52 H new ATOM 0 HB VAL A 103 -14.458 10.352 -0.158 1.00 23.11 H new ATOM 0 HG11 VAL A 103 -15.701 8.485 -1.170 1.00 62.33 H new ATOM 0 HG12 VAL A 103 -16.322 10.063 -1.710 1.00 62.33 H new ATOM 0 HG13 VAL A 103 -15.291 9.096 -2.791 1.00 62.33 H new ATOM 0 HG21 VAL A 103 -13.314 8.216 -0.592 1.00 60.12 H new ATOM 0 HG22 VAL A 103 -12.805 8.817 -2.188 1.00 60.12 H new ATOM 0 HG23 VAL A 103 -12.199 9.598 -0.708 1.00 60.12 H new ATOM 1240 N ILE A 104 -12.506 10.824 -3.911 1.00 21.41 N ATOM 1241 CA ILE A 104 -12.226 10.468 -5.297 1.00 10.25 C ATOM 1242 C ILE A 104 -11.133 9.409 -5.382 1.00 63.42 C ATOM 1243 O ILE A 104 -10.043 9.578 -4.834 1.00 11.21 O ATOM 1244 CB ILE A 104 -11.798 11.699 -6.118 1.00 32.21 C ATOM 1245 CG1 ILE A 104 -11.134 12.738 -5.212 1.00 63.32 C ATOM 1246 CG2 ILE A 104 -12.998 12.302 -6.833 1.00 31.40 C ATOM 1247 CD1 ILE A 104 -12.115 13.681 -4.553 1.00 75.01 C ATOM 0 H ILE A 104 -11.676 10.961 -3.335 1.00 21.41 H new ATOM 0 HA ILE A 104 -13.150 10.067 -5.713 1.00 10.25 H new ATOM 0 HB ILE A 104 -11.073 11.383 -6.868 1.00 32.21 H new ATOM 0 HG12 ILE A 104 -10.563 12.223 -4.440 1.00 63.32 H new ATOM 0 HG13 ILE A 104 -10.423 13.319 -5.800 1.00 63.32 H new ATOM 0 HG21 ILE A 104 -12.680 13.171 -7.409 1.00 31.40 H new ATOM 0 HG22 ILE A 104 -13.432 11.561 -7.504 1.00 31.40 H new ATOM 0 HG23 ILE A 104 -13.744 12.607 -6.099 1.00 31.40 H new ATOM 0 HD11 ILE A 104 -11.574 14.389 -3.926 1.00 75.01 H new ATOM 0 HD12 ILE A 104 -12.669 14.224 -5.319 1.00 75.01 H new ATOM 0 HD13 ILE A 104 -12.811 13.111 -3.938 1.00 75.01 H new ATOM 1259 N THR A 105 -11.430 8.314 -6.076 1.00 1.11 N ATOM 1260 CA THR A 105 -10.473 7.227 -6.235 1.00 21.52 C ATOM 1261 C THR A 105 -10.606 6.573 -7.606 1.00 3.14 C ATOM 1262 O THR A 105 -11.554 6.842 -8.343 1.00 71.22 O ATOM 1263 CB THR A 105 -10.658 6.152 -5.146 1.00 44.25 C ATOM 1264 OG1 THR A 105 -12.052 5.935 -4.904 1.00 71.24 O ATOM 1265 CG2 THR A 105 -9.972 6.568 -3.854 1.00 31.03 C ATOM 0 H THR A 105 -12.326 8.157 -6.537 1.00 1.11 H new ATOM 0 HA THR A 105 -9.479 7.664 -6.139 1.00 21.52 H new ATOM 0 HB THR A 105 -10.203 5.226 -5.499 1.00 44.25 H new ATOM 0 HG1 THR A 105 -12.161 5.249 -4.212 1.00 71.24 H new ATOM 0 HG21 THR A 105 -10.116 5.794 -3.100 1.00 31.03 H new ATOM 0 HG22 THR A 105 -8.906 6.704 -4.036 1.00 31.03 H new ATOM 0 HG23 THR A 105 -10.402 7.505 -3.499 1.00 31.03 H new ATOM 1273 N PHE A 106 -9.650 5.713 -7.941 1.00 44.21 N ATOM 1274 CA PHE A 106 -9.660 5.021 -9.225 1.00 10.14 C ATOM 1275 C PHE A 106 -10.521 3.763 -9.157 1.00 62.11 C ATOM 1276 O PHE A 106 -11.197 3.513 -8.159 1.00 42.12 O ATOM 1277 CB PHE A 106 -8.234 4.655 -9.642 1.00 52.44 C ATOM 1278 CG PHE A 106 -7.279 5.813 -9.592 1.00 10.43 C ATOM 1279 CD1 PHE A 106 -7.100 6.629 -10.697 1.00 45.22 C ATOM 1280 CD2 PHE A 106 -6.561 6.087 -8.439 1.00 32.44 C ATOM 1281 CE1 PHE A 106 -6.221 7.695 -10.653 1.00 64.14 C ATOM 1282 CE2 PHE A 106 -5.681 7.151 -8.389 1.00 11.33 C ATOM 1283 CZ PHE A 106 -5.511 7.957 -9.497 1.00 55.14 C ATOM 0 H PHE A 106 -8.859 5.479 -7.342 1.00 44.21 H new ATOM 0 HA PHE A 106 -10.087 5.693 -9.969 1.00 10.14 H new ATOM 0 HB2 PHE A 106 -7.866 3.862 -8.991 1.00 52.44 H new ATOM 0 HB3 PHE A 106 -8.252 4.253 -10.655 1.00 52.44 H new ATOM 0 HD1 PHE A 106 -7.653 6.430 -11.603 1.00 45.22 H new ATOM 0 HD2 PHE A 106 -6.691 5.461 -7.569 1.00 32.44 H new ATOM 0 HE1 PHE A 106 -6.089 8.323 -11.522 1.00 64.14 H new ATOM 0 HE2 PHE A 106 -5.127 7.352 -7.484 1.00 11.33 H new ATOM 0 HZ PHE A 106 -4.825 8.790 -9.460 1.00 55.14 H new ATOM 1293 N SER A 107 -10.491 2.974 -10.227 1.00 4.42 N ATOM 1294 CA SER A 107 -11.271 1.744 -10.292 1.00 2.32 C ATOM 1295 C SER A 107 -10.564 0.697 -11.147 1.00 3.02 C ATOM 1296 O SER A 107 -9.415 0.881 -11.547 1.00 23.42 O ATOM 1297 CB SER A 107 -12.663 2.028 -10.860 1.00 62.30 C ATOM 1298 OG SER A 107 -13.667 1.390 -10.090 1.00 73.15 O ATOM 0 H SER A 107 -9.935 3.165 -11.060 1.00 4.42 H new ATOM 0 HA SER A 107 -11.372 1.353 -9.280 1.00 2.32 H new ATOM 0 HB2 SER A 107 -12.841 3.103 -10.876 1.00 62.30 H new ATOM 0 HB3 SER A 107 -12.716 1.681 -11.892 1.00 62.30 H new ATOM 0 HG SER A 107 -14.547 1.588 -10.472 1.00 73.15 H new ATOM 1304 N GLU A 108 -11.260 -0.401 -11.422 1.00 71.42 N ATOM 1305 CA GLU A 108 -10.699 -1.479 -12.229 1.00 3.32 C ATOM 1306 C GLU A 108 -11.295 -1.474 -13.633 1.00 72.33 C ATOM 1307 O GLU A 108 -12.478 -1.186 -13.818 1.00 33.13 O ATOM 1308 CB GLU A 108 -10.951 -2.831 -11.560 1.00 33.52 C ATOM 1309 CG GLU A 108 -12.410 -3.076 -11.212 1.00 52.42 C ATOM 1310 CD GLU A 108 -12.683 -4.514 -10.819 1.00 33.43 C ATOM 1311 OE1 GLU A 108 -12.620 -5.393 -11.704 1.00 74.01 O ATOM 1312 OE2 GLU A 108 -12.960 -4.762 -9.627 1.00 1.35 O ATOM 0 H GLU A 108 -12.213 -0.568 -11.098 1.00 71.42 H new ATOM 0 HA GLU A 108 -9.624 -1.317 -12.309 1.00 3.32 H new ATOM 0 HB2 GLU A 108 -10.606 -3.625 -12.223 1.00 33.52 H new ATOM 0 HB3 GLU A 108 -10.354 -2.894 -10.650 1.00 33.52 H new ATOM 0 HG2 GLU A 108 -12.699 -2.418 -10.392 1.00 52.42 H new ATOM 0 HG3 GLU A 108 -13.033 -2.813 -12.067 1.00 52.42 H new ATOM 1319 N THR A 109 -10.467 -1.795 -14.623 1.00 32.53 N ATOM 1320 CA THR A 109 -10.911 -1.827 -16.011 1.00 24.24 C ATOM 1321 C THR A 109 -10.265 -2.982 -16.768 1.00 32.12 C ATOM 1322 O THR A 109 -9.420 -2.788 -17.642 1.00 13.00 O ATOM 1323 CB THR A 109 -10.584 -0.507 -16.735 1.00 33.41 C ATOM 1324 OG1 THR A 109 -9.233 -0.120 -16.462 1.00 61.24 O ATOM 1325 CG2 THR A 109 -11.532 0.599 -16.297 1.00 73.21 C ATOM 0 H THR A 109 -9.485 -2.036 -14.489 1.00 32.53 H new ATOM 0 HA THR A 109 -11.992 -1.966 -15.995 1.00 24.24 H new ATOM 0 HB THR A 109 -10.706 -0.666 -17.806 1.00 33.41 H new ATOM 0 HG1 THR A 109 -8.625 -0.835 -16.744 1.00 61.24 H new ATOM 0 HG21 THR A 109 -11.282 1.521 -16.821 1.00 73.21 H new ATOM 0 HG22 THR A 109 -12.557 0.314 -16.533 1.00 73.21 H new ATOM 0 HG23 THR A 109 -11.437 0.755 -15.222 1.00 73.21 H new ATOM 1333 N PRO A 110 -10.671 -4.214 -16.427 1.00 71.30 N ATOM 1334 CA PRO A 110 -10.145 -5.425 -17.064 1.00 75.42 C ATOM 1335 C PRO A 110 -10.608 -5.567 -18.510 1.00 42.24 C ATOM 1336 O PRO A 110 -11.313 -4.704 -19.033 1.00 5.33 O ATOM 1337 CB PRO A 110 -10.720 -6.555 -16.206 1.00 62.43 C ATOM 1338 CG PRO A 110 -11.956 -5.982 -15.603 1.00 63.51 C ATOM 1339 CD PRO A 110 -11.675 -4.520 -15.394 1.00 23.22 C ATOM 0 HA PRO A 110 -9.056 -5.420 -17.113 1.00 75.42 H new ATOM 0 HB2 PRO A 110 -10.945 -7.435 -16.809 1.00 62.43 H new ATOM 0 HB3 PRO A 110 -10.013 -6.868 -15.438 1.00 62.43 H new ATOM 0 HG2 PRO A 110 -12.813 -6.124 -16.261 1.00 63.51 H new ATOM 0 HG3 PRO A 110 -12.193 -6.473 -14.659 1.00 63.51 H new ATOM 0 HD2 PRO A 110 -12.574 -3.917 -15.517 1.00 23.22 H new ATOM 0 HD3 PRO A 110 -11.293 -4.323 -14.392 1.00 23.22 H new ATOM 1347 N GLN A 111 -10.207 -6.660 -19.151 1.00 22.22 N ATOM 1348 CA GLN A 111 -10.581 -6.913 -20.537 1.00 63.23 C ATOM 1349 C GLN A 111 -10.096 -8.287 -20.990 1.00 12.32 C ATOM 1350 O GLN A 111 -9.712 -8.471 -22.145 1.00 3.34 O ATOM 1351 CB GLN A 111 -10.003 -5.830 -21.449 1.00 52.53 C ATOM 1352 CG GLN A 111 -10.983 -5.333 -22.500 1.00 50.02 C ATOM 1353 CD GLN A 111 -10.291 -4.685 -23.683 1.00 72.13 C ATOM 1354 OE1 GLN A 111 -9.064 -4.595 -23.727 1.00 21.23 O ATOM 1355 NE2 GLN A 111 -11.077 -4.229 -24.652 1.00 21.30 N ATOM 0 H GLN A 111 -9.623 -7.384 -18.733 1.00 22.22 H new ATOM 0 HA GLN A 111 -11.669 -6.892 -20.603 1.00 63.23 H new ATOM 0 HB2 GLN A 111 -9.679 -4.987 -20.838 1.00 52.53 H new ATOM 0 HB3 GLN A 111 -9.116 -6.222 -21.947 1.00 52.53 H new ATOM 0 HG2 GLN A 111 -11.588 -6.169 -22.851 1.00 50.02 H new ATOM 0 HG3 GLN A 111 -11.665 -4.615 -22.045 1.00 50.02 H new ATOM 0 HE21 GLN A 111 -12.090 -4.324 -24.575 1.00 21.30 H new ATOM 0 HE22 GLN A 111 -10.668 -3.784 -25.473 1.00 21.30 H new ATOM 1364 N SER A 112 -10.117 -9.248 -20.072 1.00 70.12 N ATOM 1365 CA SER A 112 -9.676 -10.604 -20.376 1.00 23.32 C ATOM 1366 C SER A 112 -10.848 -11.468 -20.832 1.00 0.22 C ATOM 1367 O SER A 112 -10.668 -12.436 -21.570 1.00 33.13 O ATOM 1368 CB SER A 112 -9.011 -11.233 -19.150 1.00 22.40 C ATOM 1369 OG SER A 112 -8.169 -12.311 -19.523 1.00 34.02 O ATOM 0 H SER A 112 -10.435 -9.113 -19.112 1.00 70.12 H new ATOM 0 HA SER A 112 -8.950 -10.550 -21.187 1.00 23.32 H new ATOM 0 HB2 SER A 112 -8.428 -10.479 -18.621 1.00 22.40 H new ATOM 0 HB3 SER A 112 -9.776 -11.587 -18.459 1.00 22.40 H new ATOM 0 HG SER A 112 -7.755 -12.695 -18.722 1.00 34.02 H new ATOM 1375 N GLN A 113 -12.048 -11.109 -20.386 1.00 44.34 N ATOM 1376 CA GLN A 113 -13.250 -11.851 -20.748 1.00 3.31 C ATOM 1377 C GLN A 113 -13.396 -11.945 -22.263 1.00 20.50 C ATOM 1378 O GLN A 113 -14.016 -12.875 -22.780 1.00 42.23 O ATOM 1379 CB GLN A 113 -14.487 -11.183 -20.145 1.00 30.52 C ATOM 1380 CG GLN A 113 -14.784 -9.812 -20.729 1.00 10.22 C ATOM 1381 CD GLN A 113 -15.446 -8.883 -19.730 1.00 60.10 C ATOM 1382 OE1 GLN A 113 -15.028 -8.795 -18.575 1.00 44.43 O ATOM 1383 NE2 GLN A 113 -16.486 -8.184 -20.170 1.00 44.01 N ATOM 0 H GLN A 113 -12.213 -10.310 -19.774 1.00 44.34 H new ATOM 0 HA GLN A 113 -13.159 -12.860 -20.347 1.00 3.31 H new ATOM 0 HB2 GLN A 113 -15.351 -11.830 -20.300 1.00 30.52 H new ATOM 0 HB3 GLN A 113 -14.349 -11.088 -19.068 1.00 30.52 H new ATOM 0 HG2 GLN A 113 -13.855 -9.361 -21.078 1.00 10.22 H new ATOM 0 HG3 GLN A 113 -15.431 -9.924 -21.599 1.00 10.22 H new ATOM 0 HE21 GLN A 113 -16.799 -8.288 -21.135 1.00 44.01 H new ATOM 0 HE22 GLN A 113 -16.972 -7.543 -19.543 1.00 44.01 H new ATOM 1392 N VAL A 114 -12.821 -10.977 -22.970 1.00 35.32 N ATOM 1393 CA VAL A 114 -12.887 -10.952 -24.426 1.00 52.21 C ATOM 1394 C VAL A 114 -11.543 -11.320 -25.043 1.00 43.44 C ATOM 1395 O VAL A 114 -11.240 -10.934 -26.172 1.00 74.44 O ATOM 1396 CB VAL A 114 -13.316 -9.566 -24.944 1.00 62.14 C ATOM 1397 CG1 VAL A 114 -14.644 -9.153 -24.328 1.00 45.51 C ATOM 1398 CG2 VAL A 114 -12.239 -8.532 -24.653 1.00 65.34 C ATOM 0 H VAL A 114 -12.304 -10.200 -22.558 1.00 35.32 H new ATOM 0 HA VAL A 114 -13.633 -11.689 -24.722 1.00 52.21 H new ATOM 0 HB VAL A 114 -13.447 -9.626 -26.024 1.00 62.14 H new ATOM 0 HG11 VAL A 114 -14.931 -8.172 -24.706 1.00 45.51 H new ATOM 0 HG12 VAL A 114 -15.410 -9.882 -24.593 1.00 45.51 H new ATOM 0 HG13 VAL A 114 -14.544 -9.109 -23.243 1.00 45.51 H new ATOM 0 HG21 VAL A 114 -12.559 -7.559 -25.026 1.00 65.34 H new ATOM 0 HG22 VAL A 114 -12.073 -8.472 -23.577 1.00 65.34 H new ATOM 0 HG23 VAL A 114 -11.312 -8.823 -25.147 1.00 65.34 H new ATOM 1408 N ALA A 115 -10.739 -12.068 -24.295 1.00 31.10 N ATOM 1409 CA ALA A 115 -9.427 -12.491 -24.770 1.00 13.45 C ATOM 1410 C ALA A 115 -9.549 -13.624 -25.782 1.00 63.40 C ATOM 1411 O ALA A 115 -8.767 -13.709 -26.729 1.00 13.13 O ATOM 1412 CB ALA A 115 -8.555 -12.917 -23.598 1.00 63.44 C ATOM 0 H ALA A 115 -10.973 -12.394 -23.357 1.00 31.10 H new ATOM 0 HA ALA A 115 -8.957 -11.644 -25.269 1.00 13.45 H new ATOM 0 HB1 ALA A 115 -7.578 -13.231 -23.966 1.00 63.44 H new ATOM 0 HB2 ALA A 115 -8.432 -12.079 -22.912 1.00 63.44 H new ATOM 0 HB3 ALA A 115 -9.029 -13.747 -23.075 1.00 63.44 H new ATOM 1418 N GLU A 116 -10.533 -14.494 -25.575 1.00 1.30 N ATOM 1419 CA GLU A 116 -10.754 -15.623 -26.470 1.00 73.41 C ATOM 1420 C GLU A 116 -11.001 -15.146 -27.898 1.00 54.42 C ATOM 1421 O GLU A 116 -10.606 -15.803 -28.861 1.00 73.11 O ATOM 1422 CB GLU A 116 -11.941 -16.460 -25.988 1.00 14.22 C ATOM 1423 CG GLU A 116 -11.596 -17.918 -25.736 1.00 73.04 C ATOM 1424 CD GLU A 116 -10.565 -18.093 -24.639 1.00 1.43 C ATOM 1425 OE1 GLU A 116 -10.358 -17.138 -23.861 1.00 42.10 O ATOM 1426 OE2 GLU A 116 -9.965 -19.185 -24.558 1.00 1.04 O ATOM 0 H GLU A 116 -11.189 -14.438 -24.796 1.00 1.30 H new ATOM 0 HA GLU A 116 -9.856 -16.240 -26.462 1.00 73.41 H new ATOM 0 HB2 GLU A 116 -12.333 -16.024 -25.069 1.00 14.22 H new ATOM 0 HB3 GLU A 116 -12.737 -16.407 -26.730 1.00 14.22 H new ATOM 0 HG2 GLU A 116 -12.502 -18.461 -25.467 1.00 73.04 H new ATOM 0 HG3 GLU A 116 -11.220 -18.363 -26.657 1.00 73.04 H new ATOM 1433 N ASP A 117 -11.658 -13.998 -28.026 1.00 41.13 N ATOM 1434 CA ASP A 117 -11.958 -13.431 -29.336 1.00 10.11 C ATOM 1435 C ASP A 117 -12.704 -14.438 -30.206 1.00 43.31 C ATOM 1436 O ASP A 117 -13.911 -14.631 -30.054 1.00 2.23 O ATOM 1437 CB ASP A 117 -10.669 -12.992 -30.033 1.00 12.33 C ATOM 1438 CG ASP A 117 -10.933 -12.098 -31.228 1.00 52.33 C ATOM 1439 OD1 ASP A 117 -12.100 -11.697 -31.423 1.00 4.01 O ATOM 1440 OD2 ASP A 117 -9.973 -11.800 -31.970 1.00 54.50 O ATOM 0 H ASP A 117 -11.993 -13.442 -27.239 1.00 41.13 H new ATOM 0 HA ASP A 117 -12.597 -12.560 -29.190 1.00 10.11 H new ATOM 0 HB2 ASP A 117 -10.036 -12.463 -29.320 1.00 12.33 H new ATOM 0 HB3 ASP A 117 -10.116 -13.874 -30.358 1.00 12.33 H new TER 1445 ASP A 117