USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 989 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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 112 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 81 GLN : amide:sc=-0.000362 X(o=-0.00036,f=0) USER MOD Set 2.2: A 87 GLN : amide:sc= 0 X(o=-0.00036,f=-0.016) USER MOD Set 3.1: A 39 GLN : amide:sc= -1.68 K(o=-1.4,f=-3!) USER MOD Set 3.2: A 40 SER OG : rot 51:sc= 0.283 USER MOD Single : A 1 GLN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 1 GLN N :NH3+ -103:sc= 0.0889 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.555 X(o=-0.56,f=-0.17) USER MOD Single : A 8 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.527 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc=-0.00758 (180deg=-0.492) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 163:sc= -3.92 (180deg=-5.47!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot -156:sc= -0.154 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= -0.142 (180deg=-0.143) USER MOD Single : A 35 ASN : amide:sc= -3.97! C(o=-4!,f=-4.8!) USER MOD Single : A 36 MET CE :methyl -160:sc= -0.0122 (180deg=-0.197) USER MOD Single : A 46 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.101 (180deg=-0.48) USER MOD Single : A 50 ASN : amide:sc= -3.14 K(o=-3.1,f=-4.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 74 SER OG : rot 180:sc= -0.182 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 90 SER OG : rot -59:sc= 0.164 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.0568 K(o=-0.057,f=-0.57) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.071 K(o=-0.071,f=0.88) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 0.419 0.603 -5.306 1.00 12.44 N ATOM 2 CA GLN A 1 -0.197 0.631 -3.984 1.00 61.32 C ATOM 3 C GLN A 1 0.549 1.583 -3.056 1.00 1.24 C ATOM 4 O GLN A 1 1.695 1.948 -3.316 1.00 5.43 O ATOM 5 CB GLN A 1 -0.221 -0.775 -3.380 1.00 41.44 C ATOM 6 CG GLN A 1 -1.275 -1.682 -3.994 1.00 24.42 C ATOM 7 CD GLN A 1 -1.337 -3.040 -3.323 1.00 31.40 C ATOM 8 OE1 GLN A 1 -1.149 -4.073 -3.967 1.00 22.01 O ATOM 9 NE2 GLN A 1 -1.602 -3.047 -2.022 1.00 14.31 N ATOM 0 H1 GLN A 1 -0.152 1.167 -5.967 1.00 12.44 H new ATOM 0 H2 GLN A 1 1.378 1.001 -5.251 1.00 12.44 H new ATOM 0 H3 GLN A 1 0.471 -0.379 -5.644 1.00 12.44 H new ATOM 0 HA GLN A 1 -1.221 0.989 -4.095 1.00 61.32 H new ATOM 0 HB2 GLN A 1 0.760 -1.233 -3.508 1.00 41.44 H new ATOM 0 HB3 GLN A 1 -0.400 -0.698 -2.308 1.00 41.44 H new ATOM 0 HG2 GLN A 1 -2.250 -1.200 -3.922 1.00 24.42 H new ATOM 0 HG3 GLN A 1 -1.062 -1.814 -5.055 1.00 24.42 H new ATOM 0 HE21 GLN A 1 -1.751 -2.168 -1.527 1.00 14.31 H new ATOM 0 HE22 GLN A 1 -1.656 -3.932 -1.517 1.00 14.31 H new ATOM 18 N SER A 2 -0.109 1.982 -1.972 1.00 54.42 N ATOM 19 CA SER A 2 0.490 2.896 -1.007 1.00 0.22 C ATOM 20 C SER A 2 0.914 4.197 -1.681 1.00 42.32 C ATOM 21 O SER A 2 2.015 4.700 -1.450 1.00 13.20 O ATOM 22 CB SER A 2 1.697 2.240 -0.333 1.00 41.44 C ATOM 23 OG SER A 2 1.385 0.931 0.110 1.00 50.13 O ATOM 0 H SER A 2 -1.057 1.686 -1.740 1.00 54.42 H new ATOM 0 HA SER A 2 -0.259 3.127 -0.250 1.00 0.22 H new ATOM 0 HB2 SER A 2 2.532 2.201 -1.033 1.00 41.44 H new ATOM 0 HB3 SER A 2 2.019 2.847 0.513 1.00 41.44 H new ATOM 0 HG SER A 2 2.173 0.533 0.535 1.00 50.13 H new ATOM 29 N LEU A 3 0.034 4.738 -2.516 1.00 73.43 N ATOM 30 CA LEU A 3 0.315 5.981 -3.226 1.00 22.13 C ATOM 31 C LEU A 3 -0.868 6.390 -4.097 1.00 43.24 C ATOM 32 O LEU A 3 -1.905 5.728 -4.104 1.00 44.42 O ATOM 33 CB LEU A 3 1.569 5.827 -4.088 1.00 23.53 C ATOM 34 CG LEU A 3 2.562 6.989 -4.043 1.00 21.34 C ATOM 35 CD1 LEU A 3 3.609 6.755 -2.965 1.00 63.50 C ATOM 36 CD2 LEU A 3 3.224 7.178 -5.400 1.00 33.12 C ATOM 0 H LEU A 3 -0.881 4.335 -2.718 1.00 73.43 H new ATOM 0 HA LEU A 3 0.485 6.763 -2.486 1.00 22.13 H new ATOM 0 HB2 LEU A 3 2.088 4.920 -3.780 1.00 23.53 H new ATOM 0 HB3 LEU A 3 1.259 5.681 -5.123 1.00 23.53 H new ATOM 0 HG LEU A 3 2.015 7.900 -3.798 1.00 21.34 H new ATOM 0 HD11 LEU A 3 4.307 7.592 -2.948 1.00 63.50 H new ATOM 0 HD12 LEU A 3 3.120 6.671 -1.995 1.00 63.50 H new ATOM 0 HD13 LEU A 3 4.152 5.834 -3.179 1.00 63.50 H new ATOM 0 HD21 LEU A 3 3.927 8.009 -5.349 1.00 33.12 H new ATOM 0 HD22 LEU A 3 3.757 6.268 -5.675 1.00 33.12 H new ATOM 0 HD23 LEU A 3 2.462 7.393 -6.150 1.00 33.12 H new ATOM 48 N ASN A 4 -0.703 7.485 -4.833 1.00 71.22 N ATOM 49 CA ASN A 4 -1.757 7.982 -5.710 1.00 60.45 C ATOM 50 C ASN A 4 -1.405 7.739 -7.175 1.00 71.10 C ATOM 51 O ASN A 4 -0.243 7.557 -7.538 1.00 62.11 O ATOM 52 CB ASN A 4 -1.987 9.475 -5.470 1.00 73.04 C ATOM 53 CG ASN A 4 -0.698 10.220 -5.186 1.00 3.43 C ATOM 54 OD1 ASN A 4 -0.500 10.745 -4.090 1.00 22.24 O ATOM 55 ND2 ASN A 4 0.187 10.271 -6.175 1.00 21.24 N ATOM 0 H ASN A 4 0.150 8.044 -4.839 1.00 71.22 H new ATOM 0 HA ASN A 4 -2.673 7.439 -5.480 1.00 60.45 H new ATOM 0 HB2 ASN A 4 -2.470 9.911 -6.345 1.00 73.04 H new ATOM 0 HB3 ASN A 4 -2.671 9.604 -4.631 1.00 73.04 H new ATOM 0 HD21 ASN A 4 1.072 10.760 -6.042 1.00 21.24 H new ATOM 0 HD22 ASN A 4 -0.019 9.822 -7.067 1.00 21.24 H new ATOM 62 N PRO A 5 -2.432 7.736 -8.038 1.00 11.33 N ATOM 63 CA PRO A 5 -2.257 7.518 -9.477 1.00 4.53 C ATOM 64 C PRO A 5 -1.559 8.690 -10.159 1.00 64.35 C ATOM 65 O PRO A 5 -0.869 8.514 -11.163 1.00 61.33 O ATOM 66 CB PRO A 5 -3.691 7.377 -9.992 1.00 12.24 C ATOM 67 CG PRO A 5 -4.523 8.122 -9.005 1.00 62.10 C ATOM 68 CD PRO A 5 -3.844 7.947 -7.675 1.00 23.51 C ATOM 0 HA PRO A 5 -1.628 6.652 -9.685 1.00 4.53 H new ATOM 0 HB2 PRO A 5 -3.795 7.795 -10.993 1.00 12.24 H new ATOM 0 HB3 PRO A 5 -3.989 6.330 -10.051 1.00 12.24 H new ATOM 0 HG2 PRO A 5 -4.594 9.177 -9.271 1.00 62.10 H new ATOM 0 HG3 PRO A 5 -5.540 7.731 -8.978 1.00 62.10 H new ATOM 0 HD2 PRO A 5 -3.969 8.825 -7.041 1.00 23.51 H new ATOM 0 HD3 PRO A 5 -4.249 7.097 -7.126 1.00 23.51 H new ATOM 76 N ALA A 6 -1.742 9.885 -9.608 1.00 60.10 N ATOM 77 CA ALA A 6 -1.127 11.085 -10.163 1.00 35.42 C ATOM 78 C ALA A 6 -1.516 11.275 -11.625 1.00 33.40 C ATOM 79 O ALA A 6 -0.808 11.935 -12.386 1.00 3.12 O ATOM 80 CB ALA A 6 0.386 11.016 -10.022 1.00 31.23 C ATOM 0 H ALA A 6 -2.311 10.048 -8.778 1.00 60.10 H new ATOM 0 HA ALA A 6 -1.494 11.944 -9.602 1.00 35.42 H new ATOM 0 HB1 ALA A 6 0.832 11.918 -10.440 1.00 31.23 H new ATOM 0 HB2 ALA A 6 0.650 10.936 -8.967 1.00 31.23 H new ATOM 0 HB3 ALA A 6 0.762 10.144 -10.557 1.00 31.23 H new ATOM 86 N LEU A 7 -2.645 10.692 -12.013 1.00 33.44 N ATOM 87 CA LEU A 7 -3.128 10.796 -13.385 1.00 54.21 C ATOM 88 C LEU A 7 -4.309 11.758 -13.475 1.00 33.51 C ATOM 89 O LEU A 7 -4.370 12.598 -14.372 1.00 1.24 O ATOM 90 CB LEU A 7 -3.537 9.418 -13.909 1.00 43.43 C ATOM 91 CG LEU A 7 -2.860 8.965 -15.203 1.00 63.12 C ATOM 92 CD1 LEU A 7 -3.045 10.006 -16.296 1.00 11.10 C ATOM 93 CD2 LEU A 7 -1.381 8.696 -14.965 1.00 41.15 C ATOM 0 H LEU A 7 -3.243 10.142 -11.396 1.00 33.44 H new ATOM 0 HA LEU A 7 -2.317 11.186 -14.001 1.00 54.21 H new ATOM 0 HB2 LEU A 7 -3.327 8.680 -13.135 1.00 43.43 H new ATOM 0 HB3 LEU A 7 -4.616 9.417 -14.067 1.00 43.43 H new ATOM 0 HG LEU A 7 -3.330 8.038 -15.530 1.00 63.12 H new ATOM 0 HD11 LEU A 7 -2.556 9.666 -17.209 1.00 11.10 H new ATOM 0 HD12 LEU A 7 -4.109 10.149 -16.486 1.00 11.10 H new ATOM 0 HD13 LEU A 7 -2.603 10.950 -15.978 1.00 11.10 H new ATOM 0 HD21 LEU A 7 -0.915 8.375 -15.897 1.00 41.15 H new ATOM 0 HD22 LEU A 7 -0.897 9.607 -14.613 1.00 41.15 H new ATOM 0 HD23 LEU A 7 -1.270 7.913 -14.215 1.00 41.15 H new ATOM 105 N GLN A 8 -5.244 11.628 -12.539 1.00 23.13 N ATOM 106 CA GLN A 8 -6.422 12.487 -12.512 1.00 21.40 C ATOM 107 C GLN A 8 -6.739 12.932 -11.088 1.00 60.41 C ATOM 108 O GLN A 8 -7.881 12.839 -10.639 1.00 41.02 O ATOM 109 CB GLN A 8 -7.625 11.756 -13.110 1.00 71.05 C ATOM 110 CG GLN A 8 -7.650 11.768 -14.630 1.00 41.24 C ATOM 111 CD GLN A 8 -8.312 10.535 -15.213 1.00 53.42 C ATOM 112 OE1 GLN A 8 -8.377 9.488 -14.569 1.00 0.01 O ATOM 113 NE2 GLN A 8 -8.809 10.653 -16.439 1.00 12.51 N ATOM 0 H GLN A 8 -5.209 10.937 -11.790 1.00 23.13 H new ATOM 0 HA GLN A 8 -6.209 13.373 -13.111 1.00 21.40 H new ATOM 0 HB2 GLN A 8 -7.621 10.723 -12.763 1.00 71.05 H new ATOM 0 HB3 GLN A 8 -8.541 12.214 -12.736 1.00 71.05 H new ATOM 0 HG2 GLN A 8 -8.179 12.657 -14.974 1.00 41.24 H new ATOM 0 HG3 GLN A 8 -6.629 11.840 -15.006 1.00 41.24 H new ATOM 0 HE21 GLN A 8 -8.733 11.540 -16.937 1.00 12.51 H new ATOM 0 HE22 GLN A 8 -9.267 9.857 -16.883 1.00 12.51 H new ATOM 122 N GLU A 9 -5.720 13.414 -10.383 1.00 53.34 N ATOM 123 CA GLU A 9 -5.892 13.872 -9.010 1.00 4.34 C ATOM 124 C GLU A 9 -5.531 15.349 -8.880 1.00 1.34 C ATOM 125 O GLU A 9 -4.581 15.710 -8.184 1.00 32.32 O ATOM 126 CB GLU A 9 -5.028 13.040 -8.059 1.00 74.45 C ATOM 127 CG GLU A 9 -3.561 12.995 -8.452 1.00 31.14 C ATOM 128 CD GLU A 9 -2.644 12.805 -7.259 1.00 11.51 C ATOM 129 OE1 GLU A 9 -3.156 12.507 -6.159 1.00 61.04 O ATOM 130 OE2 GLU A 9 -1.416 12.956 -7.424 1.00 64.14 O ATOM 0 H GLU A 9 -4.768 13.497 -10.740 1.00 53.34 H new ATOM 0 HA GLU A 9 -6.941 13.746 -8.741 1.00 4.34 H new ATOM 0 HB2 GLU A 9 -5.113 13.449 -7.052 1.00 74.45 H new ATOM 0 HB3 GLU A 9 -5.417 12.023 -8.024 1.00 74.45 H new ATOM 0 HG2 GLU A 9 -3.403 12.182 -9.160 1.00 31.14 H new ATOM 0 HG3 GLU A 9 -3.297 13.920 -8.965 1.00 31.14 H new ATOM 137 N LYS A 10 -6.296 16.201 -9.555 1.00 25.41 N ATOM 138 CA LYS A 10 -6.059 17.639 -9.516 1.00 31.10 C ATOM 139 C LYS A 10 -6.756 18.273 -8.316 1.00 72.43 C ATOM 140 O LYS A 10 -7.416 17.586 -7.536 1.00 75.44 O ATOM 141 CB LYS A 10 -6.551 18.293 -10.809 1.00 72.42 C ATOM 142 CG LYS A 10 -5.554 18.207 -11.952 1.00 1.44 C ATOM 143 CD LYS A 10 -4.657 19.433 -12.001 1.00 62.23 C ATOM 144 CE LYS A 10 -3.325 19.122 -12.667 1.00 51.12 C ATOM 145 NZ LYS A 10 -3.408 19.230 -14.150 1.00 70.12 N ATOM 0 H LYS A 10 -7.086 15.920 -10.136 1.00 25.41 H new ATOM 0 HA LYS A 10 -4.986 17.803 -9.419 1.00 31.10 H new ATOM 0 HB2 LYS A 10 -7.483 17.818 -11.115 1.00 72.42 H new ATOM 0 HB3 LYS A 10 -6.777 19.341 -10.613 1.00 72.42 H new ATOM 0 HG2 LYS A 10 -4.943 17.312 -11.837 1.00 1.44 H new ATOM 0 HG3 LYS A 10 -6.089 18.108 -12.896 1.00 1.44 H new ATOM 0 HD2 LYS A 10 -5.160 20.232 -12.546 1.00 62.23 H new ATOM 0 HD3 LYS A 10 -4.483 19.798 -10.989 1.00 62.23 H new ATOM 0 HE2 LYS A 10 -2.564 19.808 -12.295 1.00 51.12 H new ATOM 0 HE3 LYS A 10 -3.008 18.116 -12.393 1.00 51.12 H new ATOM 0 HZ1 LYS A 10 -2.481 19.011 -14.566 1.00 70.12 H new ATOM 0 HZ2 LYS A 10 -4.116 18.558 -14.508 1.00 70.12 H new ATOM 0 HZ3 LYS A 10 -3.685 20.197 -14.413 1.00 70.12 H new ATOM 159 N ILE A 11 -6.606 19.585 -8.176 1.00 40.30 N ATOM 160 CA ILE A 11 -7.224 20.311 -7.073 1.00 24.31 C ATOM 161 C ILE A 11 -7.489 21.764 -7.451 1.00 33.11 C ATOM 162 O ILE A 11 -6.732 22.367 -8.211 1.00 61.33 O ATOM 163 CB ILE A 11 -6.342 20.273 -5.811 1.00 2.42 C ATOM 164 CG1 ILE A 11 -7.110 20.827 -4.609 1.00 2.40 C ATOM 165 CG2 ILE A 11 -5.060 21.062 -6.037 1.00 33.45 C ATOM 166 CD1 ILE A 11 -8.353 20.036 -4.270 1.00 14.05 C ATOM 0 H ILE A 11 -6.062 20.168 -8.812 1.00 40.30 H new ATOM 0 HA ILE A 11 -8.171 19.815 -6.860 1.00 24.31 H new ATOM 0 HB ILE A 11 -6.076 19.237 -5.602 1.00 2.42 H new ATOM 0 HG12 ILE A 11 -6.450 20.841 -3.742 1.00 2.40 H new ATOM 0 HG13 ILE A 11 -7.391 21.860 -4.812 1.00 2.40 H new ATOM 0 HG21 ILE A 11 -4.447 21.026 -5.136 1.00 33.45 H new ATOM 0 HG22 ILE A 11 -4.507 20.627 -6.870 1.00 33.45 H new ATOM 0 HG23 ILE A 11 -5.306 22.099 -6.267 1.00 33.45 H new ATOM 0 HD11 ILE A 11 -8.847 20.486 -3.408 1.00 14.05 H new ATOM 0 HD12 ILE A 11 -9.033 20.043 -5.122 1.00 14.05 H new ATOM 0 HD13 ILE A 11 -8.077 19.008 -4.035 1.00 14.05 H new ATOM 178 N SER A 12 -8.569 22.322 -6.913 1.00 74.43 N ATOM 179 CA SER A 12 -8.937 23.704 -7.196 1.00 2.25 C ATOM 180 C SER A 12 -9.308 23.878 -8.665 1.00 15.41 C ATOM 181 O SER A 12 -8.803 23.168 -9.535 1.00 33.45 O ATOM 182 CB SER A 12 -7.785 24.644 -6.834 1.00 40.12 C ATOM 183 OG SER A 12 -8.250 25.969 -6.639 1.00 24.51 O ATOM 0 H SER A 12 -9.204 21.838 -6.279 1.00 74.43 H new ATOM 0 HA SER A 12 -9.806 23.955 -6.588 1.00 2.25 H new ATOM 0 HB2 SER A 12 -7.294 24.290 -5.927 1.00 40.12 H new ATOM 0 HB3 SER A 12 -7.037 24.631 -7.627 1.00 40.12 H new ATOM 0 HG SER A 12 -7.495 26.550 -6.407 1.00 24.51 H new ATOM 189 N THR A 13 -10.196 24.830 -8.936 1.00 14.35 N ATOM 190 CA THR A 13 -10.638 25.099 -10.298 1.00 61.53 C ATOM 191 C THR A 13 -10.546 26.585 -10.623 1.00 53.13 C ATOM 192 O THR A 13 -9.995 26.971 -11.653 1.00 41.13 O ATOM 193 CB THR A 13 -12.086 24.624 -10.523 1.00 62.34 C ATOM 194 OG1 THR A 13 -12.222 23.257 -10.119 1.00 65.34 O ATOM 195 CG2 THR A 13 -12.481 24.767 -11.985 1.00 53.33 C ATOM 0 H THR A 13 -10.623 25.428 -8.229 1.00 14.35 H new ATOM 0 HA THR A 13 -9.974 24.544 -10.961 1.00 61.53 H new ATOM 0 HB THR A 13 -12.747 25.248 -9.921 1.00 62.34 H new ATOM 0 HG1 THR A 13 -13.146 22.963 -10.264 1.00 65.34 H new ATOM 0 HG21 THR A 13 -13.507 24.425 -12.120 1.00 53.33 H new ATOM 0 HG22 THR A 13 -12.405 25.813 -12.282 1.00 53.33 H new ATOM 0 HG23 THR A 13 -11.814 24.165 -12.603 1.00 53.33 H new ATOM 203 N GLU A 14 -11.090 27.414 -9.738 1.00 3.43 N ATOM 204 CA GLU A 14 -11.068 28.859 -9.932 1.00 55.43 C ATOM 205 C GLU A 14 -10.668 29.576 -8.646 1.00 33.33 C ATOM 206 O GLU A 14 -10.715 30.804 -8.565 1.00 33.00 O ATOM 207 CB GLU A 14 -12.439 29.354 -10.399 1.00 33.30 C ATOM 208 CG GLU A 14 -12.421 29.982 -11.782 1.00 51.31 C ATOM 209 CD GLU A 14 -13.694 29.714 -12.562 1.00 2.13 C ATOM 210 OE1 GLU A 14 -14.716 30.371 -12.274 1.00 60.01 O ATOM 211 OE2 GLU A 14 -13.667 28.847 -13.460 1.00 22.31 O ATOM 0 H GLU A 14 -11.551 27.110 -8.880 1.00 3.43 H new ATOM 0 HA GLU A 14 -10.327 29.085 -10.699 1.00 55.43 H new ATOM 0 HB2 GLU A 14 -13.137 28.517 -10.398 1.00 33.30 H new ATOM 0 HB3 GLU A 14 -12.816 30.084 -9.683 1.00 33.30 H new ATOM 0 HG2 GLU A 14 -12.278 31.058 -11.686 1.00 51.31 H new ATOM 0 HG3 GLU A 14 -11.569 29.596 -12.341 1.00 51.31 H new ATOM 218 N LEU A 15 -10.275 28.800 -7.641 1.00 73.05 N ATOM 219 CA LEU A 15 -9.867 29.359 -6.357 1.00 70.13 C ATOM 220 C LEU A 15 -11.082 29.731 -5.514 1.00 55.23 C ATOM 221 O LEU A 15 -10.966 29.978 -4.315 1.00 20.13 O ATOM 222 CB LEU A 15 -8.985 30.590 -6.572 1.00 63.10 C ATOM 223 CG LEU A 15 -7.803 30.744 -5.613 1.00 54.45 C ATOM 224 CD1 LEU A 15 -6.687 29.780 -5.983 1.00 2.34 C ATOM 225 CD2 LEU A 15 -7.296 32.179 -5.620 1.00 23.03 C ATOM 0 H LEU A 15 -10.230 27.782 -7.691 1.00 73.05 H new ATOM 0 HA LEU A 15 -9.296 28.599 -5.823 1.00 70.13 H new ATOM 0 HB2 LEU A 15 -8.599 30.562 -7.591 1.00 63.10 H new ATOM 0 HB3 LEU A 15 -9.611 31.479 -6.492 1.00 63.10 H new ATOM 0 HG LEU A 15 -8.142 30.504 -4.605 1.00 54.45 H new ATOM 0 HD11 LEU A 15 -5.855 29.904 -5.290 1.00 2.34 H new ATOM 0 HD12 LEU A 15 -7.057 28.756 -5.927 1.00 2.34 H new ATOM 0 HD13 LEU A 15 -6.348 29.988 -6.998 1.00 2.34 H new ATOM 0 HD21 LEU A 15 -6.455 32.271 -4.932 1.00 23.03 H new ATOM 0 HD22 LEU A 15 -6.973 32.446 -6.626 1.00 23.03 H new ATOM 0 HD23 LEU A 15 -8.096 32.849 -5.306 1.00 23.03 H new ATOM 237 N ASN A 16 -12.249 29.767 -6.150 1.00 42.45 N ATOM 238 CA ASN A 16 -13.487 30.108 -5.458 1.00 63.35 C ATOM 239 C ASN A 16 -14.246 28.849 -5.051 1.00 71.32 C ATOM 240 O ASN A 16 -14.726 28.739 -3.924 1.00 20.41 O ATOM 241 CB ASN A 16 -14.370 30.983 -6.350 1.00 5.51 C ATOM 242 CG ASN A 16 -14.638 32.345 -5.739 1.00 4.32 C ATOM 243 OD1 ASN A 16 -14.602 32.509 -4.519 1.00 72.41 O ATOM 244 ND2 ASN A 16 -14.908 33.331 -6.587 1.00 1.15 N ATOM 0 H ASN A 16 -12.363 29.564 -7.143 1.00 42.45 H new ATOM 0 HA ASN A 16 -13.229 30.664 -4.556 1.00 63.35 H new ATOM 0 HB2 ASN A 16 -13.889 31.111 -7.320 1.00 5.51 H new ATOM 0 HB3 ASN A 16 -15.318 30.475 -6.529 1.00 5.51 H new ATOM 0 HD21 ASN A 16 -15.096 34.270 -6.235 1.00 1.15 H new ATOM 0 HD22 ASN A 16 -14.927 33.150 -7.591 1.00 1.15 H new ATOM 251 N ASN A 17 -14.350 27.901 -5.978 1.00 0.34 N ATOM 252 CA ASN A 17 -15.051 26.650 -5.715 1.00 61.53 C ATOM 253 C ASN A 17 -14.196 25.716 -4.863 1.00 74.24 C ATOM 254 O ASN A 17 -14.704 24.773 -4.256 1.00 22.21 O ATOM 255 CB ASN A 17 -15.420 25.962 -7.031 1.00 53.34 C ATOM 256 CG ASN A 17 -16.587 26.636 -7.728 1.00 21.22 C ATOM 257 OD1 ASN A 17 -16.561 27.840 -7.982 1.00 40.05 O ATOM 258 ND2 ASN A 17 -17.618 25.859 -8.039 1.00 53.31 N ATOM 0 H ASN A 17 -13.958 27.976 -6.917 1.00 0.34 H new ATOM 0 HA ASN A 17 -15.963 26.882 -5.165 1.00 61.53 H new ATOM 0 HB2 ASN A 17 -14.555 25.963 -7.694 1.00 53.34 H new ATOM 0 HB3 ASN A 17 -15.670 24.919 -6.835 1.00 53.34 H new ATOM 0 HD21 ASN A 17 -18.432 26.256 -8.508 1.00 53.31 H new ATOM 0 HD22 ASN A 17 -17.596 24.866 -7.809 1.00 53.31 H new ATOM 265 N LYS A 18 -12.896 25.985 -4.823 1.00 41.10 N ATOM 266 CA LYS A 18 -11.969 25.172 -4.045 1.00 34.43 C ATOM 267 C LYS A 18 -12.464 25.005 -2.611 1.00 44.13 C ATOM 268 O LYS A 18 -12.307 23.942 -2.011 1.00 43.14 O ATOM 269 CB LYS A 18 -10.577 25.807 -4.045 1.00 21.52 C ATOM 270 CG LYS A 18 -9.446 24.793 -4.018 1.00 32.31 C ATOM 271 CD LYS A 18 -9.131 24.346 -2.600 1.00 53.21 C ATOM 272 CE LYS A 18 -8.150 25.291 -1.923 1.00 61.22 C ATOM 273 NZ LYS A 18 -6.943 24.574 -1.425 1.00 74.34 N ATOM 0 H LYS A 18 -12.460 26.761 -5.321 1.00 41.10 H new ATOM 0 HA LYS A 18 -11.912 24.187 -4.508 1.00 34.43 H new ATOM 0 HB2 LYS A 18 -10.472 26.432 -4.932 1.00 21.52 H new ATOM 0 HB3 LYS A 18 -10.486 26.463 -3.179 1.00 21.52 H new ATOM 0 HG2 LYS A 18 -9.718 23.927 -4.621 1.00 32.31 H new ATOM 0 HG3 LYS A 18 -8.555 25.229 -4.470 1.00 32.31 H new ATOM 0 HD2 LYS A 18 -10.052 24.299 -2.019 1.00 53.21 H new ATOM 0 HD3 LYS A 18 -8.714 23.339 -2.619 1.00 53.21 H new ATOM 0 HE2 LYS A 18 -7.847 26.066 -2.627 1.00 61.22 H new ATOM 0 HE3 LYS A 18 -8.644 25.792 -1.091 1.00 61.22 H new ATOM 0 HZ1 LYS A 18 -6.118 25.205 -1.477 1.00 74.34 H new ATOM 0 HZ2 LYS A 18 -7.094 24.283 -0.438 1.00 74.34 H new ATOM 0 HZ3 LYS A 18 -6.773 23.732 -2.012 1.00 74.34 H new ATOM 287 N GLN A 19 -13.062 26.061 -2.070 1.00 4.32 N ATOM 288 CA GLN A 19 -13.579 26.030 -0.707 1.00 12.30 C ATOM 289 C GLN A 19 -14.697 25.001 -0.572 1.00 41.45 C ATOM 290 O GLN A 19 -14.722 24.218 0.377 1.00 31.00 O ATOM 291 CB GLN A 19 -14.092 27.413 -0.302 1.00 4.50 C ATOM 292 CG GLN A 19 -13.032 28.289 0.348 1.00 70.42 C ATOM 293 CD GLN A 19 -13.295 29.768 0.149 1.00 43.33 C ATOM 294 OE1 GLN A 19 -14.322 30.292 0.581 1.00 3.04 O ATOM 295 NE2 GLN A 19 -12.365 30.452 -0.509 1.00 73.41 N ATOM 0 H GLN A 19 -13.201 26.948 -2.554 1.00 4.32 H new ATOM 0 HA GLN A 19 -12.764 25.743 -0.043 1.00 12.30 H new ATOM 0 HB2 GLN A 19 -14.479 27.921 -1.185 1.00 4.50 H new ATOM 0 HB3 GLN A 19 -14.927 27.294 0.389 1.00 4.50 H new ATOM 0 HG2 GLN A 19 -12.991 28.072 1.415 1.00 70.42 H new ATOM 0 HG3 GLN A 19 -12.055 28.039 -0.066 1.00 70.42 H new ATOM 0 HE21 GLN A 19 -11.529 29.978 -0.850 1.00 73.41 H new ATOM 0 HE22 GLN A 19 -12.487 31.451 -0.673 1.00 73.41 H new ATOM 304 N TYR A 20 -15.620 25.009 -1.528 1.00 4.50 N ATOM 305 CA TYR A 20 -16.742 24.079 -1.515 1.00 22.33 C ATOM 306 C TYR A 20 -16.275 22.658 -1.815 1.00 63.20 C ATOM 307 O TYR A 20 -16.652 21.711 -1.126 1.00 21.30 O ATOM 308 CB TYR A 20 -17.798 24.506 -2.535 1.00 14.44 C ATOM 309 CG TYR A 20 -18.567 25.743 -2.128 1.00 2.51 C ATOM 310 CD1 TYR A 20 -19.723 25.647 -1.364 1.00 12.41 C ATOM 311 CD2 TYR A 20 -18.136 27.009 -2.507 1.00 65.21 C ATOM 312 CE1 TYR A 20 -20.429 26.775 -0.991 1.00 24.01 C ATOM 313 CE2 TYR A 20 -18.834 28.142 -2.137 1.00 42.14 C ATOM 314 CZ TYR A 20 -19.980 28.020 -1.380 1.00 21.12 C ATOM 315 OH TYR A 20 -20.679 29.146 -1.009 1.00 71.30 O ATOM 0 H TYR A 20 -15.613 25.650 -2.322 1.00 4.50 H new ATOM 0 HA TYR A 20 -17.182 24.095 -0.518 1.00 22.33 H new ATOM 0 HB2 TYR A 20 -17.312 24.689 -3.493 1.00 14.44 H new ATOM 0 HB3 TYR A 20 -18.499 23.685 -2.685 1.00 14.44 H new ATOM 0 HD1 TYR A 20 -20.076 24.674 -1.056 1.00 12.41 H new ATOM 0 HD2 TYR A 20 -17.240 27.108 -3.101 1.00 65.21 H new ATOM 0 HE1 TYR A 20 -21.327 26.682 -0.398 1.00 24.01 H new ATOM 0 HE2 TYR A 20 -18.484 29.118 -2.439 1.00 42.14 H new ATOM 0 HH TYR A 20 -20.229 29.942 -1.363 1.00 71.30 H new ATOM 325 N GLU A 21 -15.450 22.519 -2.849 1.00 35.22 N ATOM 326 CA GLU A 21 -14.931 21.214 -3.241 1.00 74.20 C ATOM 327 C GLU A 21 -14.100 20.599 -2.119 1.00 12.14 C ATOM 328 O GLU A 21 -14.256 19.423 -1.788 1.00 63.32 O ATOM 329 CB GLU A 21 -14.084 21.337 -4.509 1.00 51.41 C ATOM 330 CG GLU A 21 -14.787 20.841 -5.762 1.00 1.54 C ATOM 331 CD GLU A 21 -15.506 21.950 -6.505 1.00 12.43 C ATOM 332 OE1 GLU A 21 -14.823 22.760 -7.167 1.00 14.15 O ATOM 333 OE2 GLU A 21 -16.751 22.009 -6.424 1.00 61.05 O ATOM 0 H GLU A 21 -15.127 23.293 -3.429 1.00 35.22 H new ATOM 0 HA GLU A 21 -15.780 20.560 -3.441 1.00 74.20 H new ATOM 0 HB2 GLU A 21 -13.804 22.381 -4.649 1.00 51.41 H new ATOM 0 HB3 GLU A 21 -13.160 20.775 -4.374 1.00 51.41 H new ATOM 0 HG2 GLU A 21 -14.056 20.379 -6.425 1.00 1.54 H new ATOM 0 HG3 GLU A 21 -15.504 20.067 -5.489 1.00 1.54 H new ATOM 340 N LEU A 22 -13.217 21.403 -1.536 1.00 71.34 N ATOM 341 CA LEU A 22 -12.360 20.939 -0.451 1.00 21.01 C ATOM 342 C LEU A 22 -13.176 20.667 0.809 1.00 63.21 C ATOM 343 O LEU A 22 -12.844 19.781 1.597 1.00 45.10 O ATOM 344 CB LEU A 22 -11.273 21.974 -0.155 1.00 14.21 C ATOM 345 CG LEU A 22 -10.129 21.508 0.746 1.00 70.55 C ATOM 346 CD1 LEU A 22 -8.788 21.926 0.164 1.00 4.11 C ATOM 347 CD2 LEU A 22 -10.298 22.061 2.153 1.00 32.40 C ATOM 0 H LEU A 22 -13.076 22.379 -1.797 1.00 71.34 H new ATOM 0 HA LEU A 22 -11.890 20.007 -0.765 1.00 21.01 H new ATOM 0 HB2 LEU A 22 -10.850 22.308 -1.102 1.00 14.21 H new ATOM 0 HB3 LEU A 22 -11.742 22.842 0.308 1.00 14.21 H new ATOM 0 HG LEU A 22 -10.155 20.420 0.800 1.00 70.55 H new ATOM 0 HD11 LEU A 22 -7.985 21.586 0.818 1.00 4.11 H new ATOM 0 HD12 LEU A 22 -8.665 21.480 -0.823 1.00 4.11 H new ATOM 0 HD13 LEU A 22 -8.751 23.012 0.079 1.00 4.11 H new ATOM 0 HD21 LEU A 22 -9.475 21.719 2.780 1.00 32.40 H new ATOM 0 HD22 LEU A 22 -10.299 23.150 2.118 1.00 32.40 H new ATOM 0 HD23 LEU A 22 -11.242 21.711 2.571 1.00 32.40 H new ATOM 359 N PHE A 23 -14.246 21.433 0.991 1.00 31.24 N ATOM 360 CA PHE A 23 -15.111 21.274 2.155 1.00 62.32 C ATOM 361 C PHE A 23 -15.643 19.846 2.246 1.00 41.52 C ATOM 362 O PHE A 23 -15.545 19.202 3.289 1.00 23.43 O ATOM 363 CB PHE A 23 -16.277 22.262 2.089 1.00 73.43 C ATOM 364 CG PHE A 23 -16.202 23.348 3.123 1.00 0.11 C ATOM 365 CD1 PHE A 23 -16.025 23.037 4.462 1.00 41.33 C ATOM 366 CD2 PHE A 23 -16.308 24.680 2.757 1.00 44.23 C ATOM 367 CE1 PHE A 23 -15.956 24.035 5.415 1.00 10.24 C ATOM 368 CE2 PHE A 23 -16.239 25.682 3.706 1.00 11.51 C ATOM 369 CZ PHE A 23 -16.062 25.359 5.037 1.00 0.41 C ATOM 0 H PHE A 23 -14.535 22.170 0.348 1.00 31.24 H new ATOM 0 HA PHE A 23 -14.520 21.480 3.047 1.00 62.32 H new ATOM 0 HB2 PHE A 23 -16.302 22.716 1.098 1.00 73.43 H new ATOM 0 HB3 PHE A 23 -17.212 21.717 2.214 1.00 73.43 H new ATOM 0 HD1 PHE A 23 -15.940 22.003 4.764 1.00 41.33 H new ATOM 0 HD2 PHE A 23 -16.446 24.938 1.717 1.00 44.23 H new ATOM 0 HE1 PHE A 23 -15.819 23.780 6.455 1.00 10.24 H new ATOM 0 HE2 PHE A 23 -16.323 26.716 3.407 1.00 11.51 H new ATOM 0 HZ PHE A 23 -16.007 26.140 5.781 1.00 0.41 H new ATOM 379 N MET A 24 -16.207 19.360 1.145 1.00 51.40 N ATOM 380 CA MET A 24 -16.754 18.009 1.100 1.00 55.51 C ATOM 381 C MET A 24 -15.642 16.977 0.941 1.00 15.45 C ATOM 382 O MET A 24 -15.734 15.866 1.464 1.00 44.13 O ATOM 383 CB MET A 24 -17.754 17.880 -0.051 1.00 35.44 C ATOM 384 CG MET A 24 -18.923 16.958 0.261 1.00 65.14 C ATOM 385 SD MET A 24 -20.428 17.860 0.674 1.00 30.10 S ATOM 386 CE MET A 24 -21.658 16.874 -0.177 1.00 2.04 C ATOM 0 H MET A 24 -16.297 19.881 0.273 1.00 51.40 H new ATOM 0 HA MET A 24 -17.268 17.820 2.042 1.00 55.51 H new ATOM 0 HB2 MET A 24 -18.138 18.869 -0.300 1.00 35.44 H new ATOM 0 HB3 MET A 24 -17.234 17.508 -0.934 1.00 35.44 H new ATOM 0 HG2 MET A 24 -19.113 16.316 -0.599 1.00 65.14 H new ATOM 0 HG3 MET A 24 -18.655 16.306 1.093 1.00 65.14 H new ATOM 0 HE1 MET A 24 -22.648 17.109 0.215 1.00 2.04 H new ATOM 0 HE2 MET A 24 -21.628 17.096 -1.244 1.00 2.04 H new ATOM 0 HE3 MET A 24 -21.448 15.816 -0.021 1.00 2.04 H new ATOM 396 N LYS A 25 -14.593 17.351 0.218 1.00 40.35 N ATOM 397 CA LYS A 25 -13.462 16.459 -0.009 1.00 53.14 C ATOM 398 C LYS A 25 -12.773 16.108 1.306 1.00 55.53 C ATOM 399 O LYS A 25 -12.435 14.951 1.550 1.00 23.34 O ATOM 400 CB LYS A 25 -12.459 17.107 -0.966 1.00 41.10 C ATOM 401 CG LYS A 25 -11.306 16.195 -1.348 1.00 32.31 C ATOM 402 CD LYS A 25 -9.979 16.935 -1.330 1.00 14.11 C ATOM 403 CE LYS A 25 -9.546 17.268 0.090 1.00 60.24 C ATOM 404 NZ LYS A 25 -8.339 18.139 0.111 1.00 4.30 N ATOM 0 H LYS A 25 -14.502 18.267 -0.222 1.00 40.35 H new ATOM 0 HA LYS A 25 -13.840 15.540 -0.457 1.00 53.14 H new ATOM 0 HB2 LYS A 25 -12.981 17.417 -1.871 1.00 41.10 H new ATOM 0 HB3 LYS A 25 -12.059 18.010 -0.504 1.00 41.10 H new ATOM 0 HG2 LYS A 25 -11.263 15.353 -0.657 1.00 32.31 H new ATOM 0 HG3 LYS A 25 -11.481 15.784 -2.342 1.00 32.31 H new ATOM 0 HD2 LYS A 25 -9.214 16.325 -1.811 1.00 14.11 H new ATOM 0 HD3 LYS A 25 -10.066 17.854 -1.910 1.00 14.11 H new ATOM 0 HE2 LYS A 25 -10.363 17.767 0.611 1.00 60.24 H new ATOM 0 HE3 LYS A 25 -9.338 16.346 0.632 1.00 60.24 H new ATOM 0 HZ1 LYS A 25 -8.075 18.343 1.096 1.00 4.30 H new ATOM 0 HZ2 LYS A 25 -7.552 17.653 -0.364 1.00 4.30 H new ATOM 0 HZ3 LYS A 25 -8.545 19.030 -0.384 1.00 4.30 H new ATOM 418 N SER A 26 -12.571 17.116 2.149 1.00 23.52 N ATOM 419 CA SER A 26 -11.920 16.913 3.439 1.00 53.54 C ATOM 420 C SER A 26 -12.806 16.094 4.372 1.00 75.14 C ATOM 421 O SER A 26 -12.320 15.252 5.128 1.00 15.02 O ATOM 422 CB SER A 26 -11.590 18.261 4.084 1.00 62.24 C ATOM 423 OG SER A 26 -10.606 18.115 5.093 1.00 42.41 O ATOM 0 H SER A 26 -12.848 18.080 1.963 1.00 23.52 H new ATOM 0 HA SER A 26 -10.995 16.362 3.269 1.00 53.54 H new ATOM 0 HB2 SER A 26 -11.235 18.955 3.322 1.00 62.24 H new ATOM 0 HB3 SER A 26 -12.494 18.694 4.513 1.00 62.24 H new ATOM 0 HG SER A 26 -10.411 18.990 5.489 1.00 42.41 H new ATOM 429 N LEU A 27 -14.109 16.346 4.312 1.00 34.03 N ATOM 430 CA LEU A 27 -15.066 15.632 5.151 1.00 3.24 C ATOM 431 C LEU A 27 -15.191 14.176 4.716 1.00 33.31 C ATOM 432 O LEU A 27 -15.100 13.262 5.537 1.00 43.41 O ATOM 433 CB LEU A 27 -16.434 16.314 5.093 1.00 61.34 C ATOM 434 CG LEU A 27 -16.743 17.297 6.222 1.00 32.01 C ATOM 435 CD1 LEU A 27 -15.887 18.547 6.091 1.00 21.10 C ATOM 436 CD2 LEU A 27 -18.221 17.659 6.225 1.00 73.35 C ATOM 0 H LEU A 27 -14.527 17.039 3.691 1.00 34.03 H new ATOM 0 HA LEU A 27 -14.700 15.655 6.177 1.00 3.24 H new ATOM 0 HB2 LEU A 27 -16.513 16.845 4.144 1.00 61.34 H new ATOM 0 HB3 LEU A 27 -17.203 15.541 5.091 1.00 61.34 H new ATOM 0 HG LEU A 27 -16.505 16.816 7.171 1.00 32.01 H new ATOM 0 HD11 LEU A 27 -16.121 19.235 6.903 1.00 21.10 H new ATOM 0 HD12 LEU A 27 -14.833 18.273 6.140 1.00 21.10 H new ATOM 0 HD13 LEU A 27 -16.092 19.030 5.136 1.00 21.10 H new ATOM 0 HD21 LEU A 27 -18.422 18.360 7.035 1.00 73.35 H new ATOM 0 HD22 LEU A 27 -18.485 18.120 5.273 1.00 73.35 H new ATOM 0 HD23 LEU A 27 -18.816 16.757 6.369 1.00 73.35 H new ATOM 448 N ILE A 28 -15.399 13.967 3.421 1.00 72.35 N ATOM 449 CA ILE A 28 -15.534 12.621 2.876 1.00 4.23 C ATOM 450 C ILE A 28 -14.254 11.816 3.078 1.00 51.44 C ATOM 451 O ILE A 28 -14.298 10.650 3.467 1.00 53.00 O ATOM 452 CB ILE A 28 -15.876 12.653 1.375 1.00 21.20 C ATOM 453 CG1 ILE A 28 -17.238 13.313 1.154 1.00 13.41 C ATOM 454 CG2 ILE A 28 -15.864 11.245 0.799 1.00 34.44 C ATOM 455 CD1 ILE A 28 -18.403 12.465 1.614 1.00 20.21 C ATOM 0 H ILE A 28 -15.478 14.712 2.729 1.00 72.35 H new ATOM 0 HA ILE A 28 -16.351 12.142 3.416 1.00 4.23 H new ATOM 0 HB ILE A 28 -15.119 13.243 0.858 1.00 21.20 H new ATOM 0 HG12 ILE A 28 -17.261 14.265 1.684 1.00 13.41 H new ATOM 0 HG13 ILE A 28 -17.357 13.535 0.094 1.00 13.41 H new ATOM 0 HG21 ILE A 28 -16.108 11.284 -0.263 1.00 34.44 H new ATOM 0 HG22 ILE A 28 -14.874 10.807 0.928 1.00 34.44 H new ATOM 0 HG23 ILE A 28 -16.602 10.633 1.318 1.00 34.44 H new ATOM 0 HD11 ILE A 28 -19.336 12.996 1.426 1.00 20.21 H new ATOM 0 HD12 ILE A 28 -18.406 11.522 1.067 1.00 20.21 H new ATOM 0 HD13 ILE A 28 -18.308 12.264 2.681 1.00 20.21 H new ATOM 467 N GLU A 29 -13.116 12.449 2.811 1.00 25.21 N ATOM 468 CA GLU A 29 -11.823 11.791 2.964 1.00 32.13 C ATOM 469 C GLU A 29 -11.580 11.402 4.420 1.00 61.24 C ATOM 470 O GLU A 29 -10.964 10.375 4.704 1.00 52.51 O ATOM 471 CB GLU A 29 -10.699 12.706 2.475 1.00 41.12 C ATOM 472 CG GLU A 29 -10.457 12.625 0.977 1.00 40.51 C ATOM 473 CD GLU A 29 -11.701 12.229 0.206 1.00 41.14 C ATOM 474 OE1 GLU A 29 -11.964 11.014 0.086 1.00 2.33 O ATOM 475 OE2 GLU A 29 -12.412 13.135 -0.279 1.00 24.24 O ATOM 0 H GLU A 29 -13.063 13.415 2.488 1.00 25.21 H new ATOM 0 HA GLU A 29 -11.832 10.884 2.360 1.00 32.13 H new ATOM 0 HB2 GLU A 29 -10.938 13.736 2.741 1.00 41.12 H new ATOM 0 HB3 GLU A 29 -9.778 12.448 2.998 1.00 41.12 H new ATOM 0 HG2 GLU A 29 -10.103 13.591 0.617 1.00 40.51 H new ATOM 0 HG3 GLU A 29 -9.666 11.902 0.779 1.00 40.51 H new ATOM 482 N ASN A 30 -12.068 12.230 5.337 1.00 0.40 N ATOM 483 CA ASN A 30 -11.903 11.974 6.763 1.00 0.43 C ATOM 484 C ASN A 30 -12.778 10.808 7.211 1.00 30.33 C ATOM 485 O ASN A 30 -12.290 9.843 7.802 1.00 41.24 O ATOM 486 CB ASN A 30 -12.250 13.227 7.571 1.00 74.40 C ATOM 487 CG ASN A 30 -11.719 13.165 8.990 1.00 42.31 C ATOM 488 OD1 ASN A 30 -12.447 12.829 9.924 1.00 72.25 O ATOM 489 ND2 ASN A 30 -10.443 13.492 9.158 1.00 64.40 N ATOM 0 H ASN A 30 -12.581 13.084 5.118 1.00 0.40 H new ATOM 0 HA ASN A 30 -10.860 11.712 6.941 1.00 0.43 H new ATOM 0 HB2 ASN A 30 -11.840 14.104 7.070 1.00 74.40 H new ATOM 0 HB3 ASN A 30 -13.333 13.352 7.596 1.00 74.40 H new ATOM 0 HD21 ASN A 30 -10.030 13.471 10.090 1.00 64.40 H new ATOM 0 HD22 ASN A 30 -9.876 13.765 8.355 1.00 64.40 H new ATOM 496 N CYS A 31 -14.072 10.903 6.926 1.00 20.54 N ATOM 497 CA CYS A 31 -15.016 9.855 7.300 1.00 41.10 C ATOM 498 C CYS A 31 -14.682 8.545 6.594 1.00 50.23 C ATOM 499 O CYS A 31 -14.643 7.484 7.216 1.00 31.42 O ATOM 500 CB CYS A 31 -16.444 10.282 6.960 1.00 55.20 C ATOM 501 SG CYS A 31 -17.010 11.748 7.855 1.00 24.13 S ATOM 0 H CYS A 31 -14.492 11.694 6.438 1.00 20.54 H new ATOM 0 HA CYS A 31 -14.938 9.697 8.376 1.00 41.10 H new ATOM 0 HB2 CYS A 31 -16.508 10.476 5.889 1.00 55.20 H new ATOM 0 HB3 CYS A 31 -17.120 9.455 7.175 1.00 55.20 H new ATOM 0 HG CYS A 31 -18.309 11.749 7.909 1.00 24.13 H new ATOM 507 N LYS A 32 -14.443 8.627 5.289 1.00 31.32 N ATOM 508 CA LYS A 32 -14.113 7.449 4.496 1.00 21.52 C ATOM 509 C LYS A 32 -12.821 6.805 4.989 1.00 4.44 C ATOM 510 O LYS A 32 -12.662 5.586 4.935 1.00 23.32 O ATOM 511 CB LYS A 32 -13.976 7.824 3.019 1.00 15.40 C ATOM 512 CG LYS A 32 -13.598 6.655 2.126 1.00 2.34 C ATOM 513 CD LYS A 32 -14.361 6.686 0.813 1.00 15.31 C ATOM 514 CE LYS A 32 -13.420 6.638 -0.380 1.00 61.45 C ATOM 515 NZ LYS A 32 -12.667 7.912 -0.545 1.00 71.23 N ATOM 0 H LYS A 32 -14.472 9.498 4.758 1.00 31.32 H new ATOM 0 HA LYS A 32 -14.924 6.729 4.608 1.00 21.52 H new ATOM 0 HB2 LYS A 32 -14.919 8.246 2.671 1.00 15.40 H new ATOM 0 HB3 LYS A 32 -13.222 8.605 2.920 1.00 15.40 H new ATOM 0 HG2 LYS A 32 -12.527 6.681 1.926 1.00 2.34 H new ATOM 0 HG3 LYS A 32 -13.803 5.719 2.645 1.00 2.34 H new ATOM 0 HD2 LYS A 32 -15.048 5.841 0.770 1.00 15.31 H new ATOM 0 HD3 LYS A 32 -14.966 7.591 0.764 1.00 15.31 H new ATOM 0 HE2 LYS A 32 -12.717 5.814 -0.255 1.00 61.45 H new ATOM 0 HE3 LYS A 32 -13.992 6.434 -1.285 1.00 61.45 H new ATOM 0 HZ1 LYS A 32 -12.037 7.839 -1.369 1.00 71.23 H new ATOM 0 HZ2 LYS A 32 -13.336 8.695 -0.690 1.00 71.23 H new ATOM 0 HZ3 LYS A 32 -12.101 8.094 0.308 1.00 71.23 H new ATOM 529 N LYS A 33 -11.900 7.633 5.472 1.00 41.01 N ATOM 530 CA LYS A 33 -10.622 7.146 5.978 1.00 72.21 C ATOM 531 C LYS A 33 -10.828 6.213 7.167 1.00 0.01 C ATOM 532 O LYS A 33 -9.934 5.449 7.531 1.00 63.14 O ATOM 533 CB LYS A 33 -9.730 8.321 6.386 1.00 74.41 C ATOM 534 CG LYS A 33 -8.695 8.691 5.338 1.00 54.21 C ATOM 535 CD LYS A 33 -8.125 10.078 5.583 1.00 15.31 C ATOM 536 CE LYS A 33 -7.732 10.757 4.280 1.00 0.53 C ATOM 537 NZ LYS A 33 -7.622 12.234 4.436 1.00 41.41 N ATOM 0 H LYS A 33 -12.015 8.645 5.524 1.00 41.01 H new ATOM 0 HA LYS A 33 -10.133 6.587 5.180 1.00 72.21 H new ATOM 0 HB2 LYS A 33 -10.357 9.189 6.588 1.00 74.41 H new ATOM 0 HB3 LYS A 33 -9.220 8.073 7.317 1.00 74.41 H new ATOM 0 HG2 LYS A 33 -7.888 7.958 5.347 1.00 54.21 H new ATOM 0 HG3 LYS A 33 -9.149 8.653 4.348 1.00 54.21 H new ATOM 0 HD2 LYS A 33 -8.862 10.688 6.105 1.00 15.31 H new ATOM 0 HD3 LYS A 33 -7.254 10.005 6.234 1.00 15.31 H new ATOM 0 HE2 LYS A 33 -6.779 10.356 3.935 1.00 0.53 H new ATOM 0 HE3 LYS A 33 -8.471 10.527 3.513 1.00 0.53 H new ATOM 0 HZ1 LYS A 33 -7.369 12.662 3.522 1.00 41.41 H new ATOM 0 HZ2 LYS A 33 -8.533 12.618 4.758 1.00 41.41 H new ATOM 0 HZ3 LYS A 33 -6.886 12.455 5.137 1.00 41.41 H new ATOM 551 N ARG A 34 -12.011 6.280 7.768 1.00 34.01 N ATOM 552 CA ARG A 34 -12.334 5.441 8.916 1.00 40.00 C ATOM 553 C ARG A 34 -12.694 4.027 8.471 1.00 34.54 C ATOM 554 O ARG A 34 -12.947 3.151 9.298 1.00 52.21 O ATOM 555 CB ARG A 34 -13.492 6.049 9.709 1.00 34.52 C ATOM 556 CG ARG A 34 -13.317 5.950 11.216 1.00 71.53 C ATOM 557 CD ARG A 34 -13.136 7.321 11.847 1.00 50.22 C ATOM 558 NE ARG A 34 -11.736 7.737 11.861 1.00 70.31 N ATOM 559 CZ ARG A 34 -10.850 7.303 12.750 1.00 24.10 C ATOM 560 NH1 ARG A 34 -11.216 6.445 13.692 1.00 60.20 N ATOM 561 NH2 ARG A 34 -9.593 7.727 12.698 1.00 54.14 N ATOM 0 H ARG A 34 -12.762 6.907 7.479 1.00 34.01 H new ATOM 0 HA ARG A 34 -11.453 5.389 9.556 1.00 40.00 H new ATOM 0 HB2 ARG A 34 -13.599 7.098 9.432 1.00 34.52 H new ATOM 0 HB3 ARG A 34 -14.418 5.548 9.426 1.00 34.52 H new ATOM 0 HG2 ARG A 34 -14.187 5.459 11.653 1.00 71.53 H new ATOM 0 HG3 ARG A 34 -12.452 5.327 11.443 1.00 71.53 H new ATOM 0 HD2 ARG A 34 -13.726 8.054 11.297 1.00 50.22 H new ATOM 0 HD3 ARG A 34 -13.519 7.304 12.867 1.00 50.22 H new ATOM 0 HE ARG A 34 -11.422 8.397 11.149 1.00 70.31 H new ATOM 0 HH11 ARG A 34 -12.181 6.116 13.735 1.00 60.20 H new ATOM 0 HH12 ARG A 34 -10.533 6.114 14.373 1.00 60.20 H new ATOM 0 HH21 ARG A 34 -9.307 8.387 11.975 1.00 54.14 H new ATOM 0 HH22 ARG A 34 -8.913 7.393 13.381 1.00 54.14 H new ATOM 575 N ASN A 35 -12.716 3.811 7.160 1.00 52.40 N ATOM 576 CA ASN A 35 -13.047 2.504 6.605 1.00 22.33 C ATOM 577 C ASN A 35 -12.039 2.096 5.535 1.00 51.54 C ATOM 578 O ASN A 35 -11.301 1.126 5.700 1.00 61.20 O ATOM 579 CB ASN A 35 -14.458 2.519 6.014 1.00 2.31 C ATOM 580 CG ASN A 35 -15.005 1.123 5.788 1.00 14.30 C ATOM 581 OD1 ASN A 35 -14.252 0.153 5.717 1.00 25.33 O ATOM 582 ND2 ASN A 35 -16.324 1.017 5.673 1.00 31.31 N ATOM 0 H ASN A 35 -12.508 4.525 6.462 1.00 52.40 H new ATOM 0 HA ASN A 35 -13.007 1.774 7.413 1.00 22.33 H new ATOM 0 HB2 ASN A 35 -15.124 3.063 6.684 1.00 2.31 H new ATOM 0 HB3 ASN A 35 -14.447 3.060 5.068 1.00 2.31 H new ATOM 0 HD21 ASN A 35 -16.751 0.103 5.519 1.00 31.31 H new ATOM 0 HD22 ASN A 35 -16.910 1.849 5.739 1.00 31.31 H new ATOM 589 N MET A 36 -12.015 2.846 4.437 1.00 24.23 N ATOM 590 CA MET A 36 -11.096 2.564 3.340 1.00 32.22 C ATOM 591 C MET A 36 -10.139 3.730 3.119 1.00 3.52 C ATOM 592 O MET A 36 -10.255 4.486 2.154 1.00 13.22 O ATOM 593 CB MET A 36 -11.876 2.278 2.055 1.00 25.01 C ATOM 594 CG MET A 36 -11.000 1.803 0.907 1.00 74.24 C ATOM 595 SD MET A 36 -11.028 2.930 -0.500 1.00 51.32 S ATOM 596 CE MET A 36 -12.736 2.782 -1.019 1.00 50.41 C ATOM 0 H MET A 36 -12.621 3.652 4.284 1.00 24.23 H new ATOM 0 HA MET A 36 -10.511 1.683 3.606 1.00 32.22 H new ATOM 0 HB2 MET A 36 -12.634 1.522 2.260 1.00 25.01 H new ATOM 0 HB3 MET A 36 -12.402 3.182 1.750 1.00 25.01 H new ATOM 0 HG2 MET A 36 -9.974 1.693 1.259 1.00 74.24 H new ATOM 0 HG3 MET A 36 -11.334 0.817 0.584 1.00 74.24 H new ATOM 0 HE1 MET A 36 -12.833 3.117 -2.052 1.00 50.41 H new ATOM 0 HE2 MET A 36 -13.050 1.741 -0.944 1.00 50.41 H new ATOM 0 HE3 MET A 36 -13.366 3.398 -0.377 1.00 50.41 H new ATOM 606 N PRO A 37 -9.169 3.883 4.033 1.00 21.22 N ATOM 607 CA PRO A 37 -8.173 4.955 3.959 1.00 4.40 C ATOM 608 C PRO A 37 -7.192 4.757 2.808 1.00 1.24 C ATOM 609 O PRO A 37 -6.963 3.633 2.361 1.00 25.53 O ATOM 610 CB PRO A 37 -7.446 4.859 5.303 1.00 35.31 C ATOM 611 CG PRO A 37 -7.624 3.442 5.728 1.00 24.12 C ATOM 612 CD PRO A 37 -8.970 3.019 5.209 1.00 11.12 C ATOM 0 HA PRO A 37 -8.633 5.926 3.776 1.00 4.40 H new ATOM 0 HB2 PRO A 37 -6.391 5.113 5.202 1.00 35.31 H new ATOM 0 HB3 PRO A 37 -7.871 5.548 6.033 1.00 35.31 H new ATOM 0 HG2 PRO A 37 -6.833 2.811 5.322 1.00 24.12 H new ATOM 0 HG3 PRO A 37 -7.578 3.352 6.813 1.00 24.12 H new ATOM 0 HD2 PRO A 37 -8.983 1.963 4.939 1.00 11.12 H new ATOM 0 HD3 PRO A 37 -9.752 3.167 5.953 1.00 11.12 H new ATOM 620 N LEU A 38 -6.615 5.855 2.333 1.00 52.41 N ATOM 621 CA LEU A 38 -5.658 5.802 1.234 1.00 43.14 C ATOM 622 C LEU A 38 -4.253 6.148 1.718 1.00 71.43 C ATOM 623 O LEU A 38 -3.995 6.195 2.920 1.00 34.51 O ATOM 624 CB LEU A 38 -6.076 6.763 0.120 1.00 53.24 C ATOM 625 CG LEU A 38 -6.430 6.122 -1.223 1.00 25.22 C ATOM 626 CD1 LEU A 38 -5.269 5.284 -1.736 1.00 44.21 C ATOM 627 CD2 LEU A 38 -7.686 5.273 -1.094 1.00 50.00 C ATOM 0 H LEU A 38 -6.793 6.793 2.692 1.00 52.41 H new ATOM 0 HA LEU A 38 -5.648 4.785 0.843 1.00 43.14 H new ATOM 0 HB2 LEU A 38 -6.937 7.335 0.465 1.00 53.24 H new ATOM 0 HB3 LEU A 38 -5.266 7.474 -0.042 1.00 53.24 H new ATOM 0 HG LEU A 38 -6.625 6.917 -1.943 1.00 25.22 H new ATOM 0 HD11 LEU A 38 -5.539 4.836 -2.692 1.00 44.21 H new ATOM 0 HD12 LEU A 38 -4.392 5.918 -1.867 1.00 44.21 H new ATOM 0 HD13 LEU A 38 -5.043 4.497 -1.017 1.00 44.21 H new ATOM 0 HD21 LEU A 38 -7.923 4.825 -2.059 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -7.519 4.485 -0.359 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -8.517 5.900 -0.771 1.00 50.00 H new ATOM 639 N GLN A 39 -3.350 6.390 0.773 1.00 12.30 N ATOM 640 CA GLN A 39 -1.972 6.733 1.104 1.00 12.22 C ATOM 641 C GLN A 39 -1.883 8.148 1.667 1.00 34.20 C ATOM 642 O GLN A 39 -0.994 8.456 2.460 1.00 12.14 O ATOM 643 CB GLN A 39 -1.082 6.607 -0.133 1.00 64.01 C ATOM 644 CG GLN A 39 0.332 7.124 0.079 1.00 11.54 C ATOM 645 CD GLN A 39 0.474 8.594 -0.267 1.00 33.35 C ATOM 646 OE1 GLN A 39 -0.165 9.089 -1.195 1.00 51.04 O ATOM 647 NE2 GLN A 39 1.314 9.300 0.481 1.00 71.30 N ATOM 0 H GLN A 39 -3.548 6.355 -0.227 1.00 12.30 H new ATOM 0 HA GLN A 39 -1.624 6.036 1.866 1.00 12.22 H new ATOM 0 HB2 GLN A 39 -1.036 5.560 -0.432 1.00 64.01 H new ATOM 0 HB3 GLN A 39 -1.540 7.154 -0.957 1.00 64.01 H new ATOM 0 HG2 GLN A 39 0.619 6.970 1.119 1.00 11.54 H new ATOM 0 HG3 GLN A 39 1.023 6.543 -0.532 1.00 11.54 H new ATOM 0 HE21 GLN A 39 1.823 8.848 1.241 1.00 71.30 H new ATOM 0 HE22 GLN A 39 1.450 10.294 0.296 1.00 71.30 H new ATOM 656 N SER A 40 -2.811 9.004 1.251 1.00 43.32 N ATOM 657 CA SER A 40 -2.835 10.388 1.710 1.00 4.13 C ATOM 658 C SER A 40 -4.113 11.088 1.259 1.00 44.41 C ATOM 659 O SER A 40 -5.037 11.286 2.048 1.00 3.23 O ATOM 660 CB SER A 40 -1.613 11.143 1.184 1.00 4.53 C ATOM 661 OG SER A 40 -0.656 11.343 2.210 1.00 2.04 O ATOM 0 H SER A 40 -3.556 8.764 0.597 1.00 43.32 H new ATOM 0 HA SER A 40 -2.809 10.384 2.800 1.00 4.13 H new ATOM 0 HB2 SER A 40 -1.161 10.584 0.365 1.00 4.53 H new ATOM 0 HB3 SER A 40 -1.923 12.106 0.779 1.00 4.53 H new ATOM 0 HG SER A 40 -0.470 10.490 2.655 1.00 2.04 H new ATOM 667 N ILE A 41 -4.157 11.461 -0.016 1.00 21.12 N ATOM 668 CA ILE A 41 -5.321 12.138 -0.573 1.00 52.12 C ATOM 669 C ILE A 41 -5.914 11.346 -1.733 1.00 55.35 C ATOM 670 O ILE A 41 -5.437 11.406 -2.867 1.00 13.41 O ATOM 671 CB ILE A 41 -4.968 13.555 -1.061 1.00 41.51 C ATOM 672 CG1 ILE A 41 -4.378 14.381 0.084 1.00 21.54 C ATOM 673 CG2 ILE A 41 -6.199 14.240 -1.635 1.00 14.42 C ATOM 674 CD1 ILE A 41 -2.912 14.705 -0.097 1.00 43.15 C ATOM 0 H ILE A 41 -3.400 11.306 -0.682 1.00 21.12 H new ATOM 0 HA ILE A 41 -6.057 12.211 0.228 1.00 52.12 H new ATOM 0 HB ILE A 41 -4.220 13.475 -1.849 1.00 41.51 H new ATOM 0 HG12 ILE A 41 -4.939 15.311 0.176 1.00 21.54 H new ATOM 0 HG13 ILE A 41 -4.508 13.836 1.019 1.00 21.54 H new ATOM 0 HG21 ILE A 41 -5.933 15.241 -1.976 1.00 14.42 H new ATOM 0 HG22 ILE A 41 -6.580 13.660 -2.476 1.00 14.42 H new ATOM 0 HG23 ILE A 41 -6.968 14.311 -0.866 1.00 14.42 H new ATOM 0 HD11 ILE A 41 -2.562 15.292 0.752 1.00 43.15 H new ATOM 0 HD12 ILE A 41 -2.340 13.779 -0.159 1.00 43.15 H new ATOM 0 HD13 ILE A 41 -2.776 15.277 -1.015 1.00 43.15 H new ATOM 686 N PRO A 42 -6.982 10.587 -1.447 1.00 20.53 N ATOM 687 CA PRO A 42 -7.666 9.770 -2.454 1.00 23.42 C ATOM 688 C PRO A 42 -8.420 10.617 -3.473 1.00 22.11 C ATOM 689 O PRO A 42 -9.411 11.266 -3.141 1.00 50.21 O ATOM 690 CB PRO A 42 -8.644 8.932 -1.626 1.00 61.14 C ATOM 691 CG PRO A 42 -8.890 9.739 -0.399 1.00 4.13 C ATOM 692 CD PRO A 42 -7.604 10.467 -0.117 1.00 71.24 C ATOM 0 HA PRO A 42 -6.966 9.176 -3.041 1.00 23.42 H new ATOM 0 HB2 PRO A 42 -9.570 8.750 -2.172 1.00 61.14 H new ATOM 0 HB3 PRO A 42 -8.221 7.958 -1.381 1.00 61.14 H new ATOM 0 HG2 PRO A 42 -9.710 10.441 -0.551 1.00 4.13 H new ATOM 0 HG3 PRO A 42 -9.169 9.100 0.439 1.00 4.13 H new ATOM 0 HD2 PRO A 42 -7.785 11.444 0.332 1.00 71.24 H new ATOM 0 HD3 PRO A 42 -6.971 9.911 0.574 1.00 71.24 H new ATOM 700 N GLU A 43 -7.944 10.605 -4.714 1.00 64.00 N ATOM 701 CA GLU A 43 -8.574 11.373 -5.781 1.00 11.52 C ATOM 702 C GLU A 43 -8.610 10.573 -7.080 1.00 13.24 C ATOM 703 O GLU A 43 -7.671 9.843 -7.398 1.00 2.54 O ATOM 704 CB GLU A 43 -7.827 12.690 -6.001 1.00 41.51 C ATOM 705 CG GLU A 43 -8.724 13.916 -5.948 1.00 31.43 C ATOM 706 CD GLU A 43 -8.571 14.695 -4.656 1.00 32.32 C ATOM 707 OE1 GLU A 43 -9.044 14.206 -3.608 1.00 44.33 O ATOM 708 OE2 GLU A 43 -7.978 15.793 -4.693 1.00 54.40 O ATOM 0 H GLU A 43 -7.124 10.072 -5.005 1.00 64.00 H new ATOM 0 HA GLU A 43 -9.599 11.590 -5.480 1.00 11.52 H new ATOM 0 HB2 GLU A 43 -7.049 12.787 -5.244 1.00 41.51 H new ATOM 0 HB3 GLU A 43 -7.328 12.657 -6.969 1.00 41.51 H new ATOM 0 HG2 GLU A 43 -8.492 14.568 -6.790 1.00 31.43 H new ATOM 0 HG3 GLU A 43 -9.763 13.607 -6.061 1.00 31.43 H new ATOM 715 N ILE A 44 -9.701 10.715 -7.825 1.00 11.31 N ATOM 716 CA ILE A 44 -9.860 10.007 -9.089 1.00 22.43 C ATOM 717 C ILE A 44 -10.826 10.740 -10.012 1.00 75.35 C ATOM 718 O ILE A 44 -11.989 10.952 -9.670 1.00 2.13 O ATOM 719 CB ILE A 44 -10.368 8.570 -8.868 1.00 71.44 C ATOM 720 CG1 ILE A 44 -10.588 7.871 -10.212 1.00 51.50 C ATOM 721 CG2 ILE A 44 -11.654 8.581 -8.055 1.00 5.43 C ATOM 722 CD1 ILE A 44 -10.202 6.409 -10.203 1.00 70.05 C ATOM 0 H ILE A 44 -10.488 11.314 -7.575 1.00 11.31 H new ATOM 0 HA ILE A 44 -8.876 9.968 -9.556 1.00 22.43 H new ATOM 0 HB ILE A 44 -9.613 8.016 -8.310 1.00 71.44 H new ATOM 0 HG12 ILE A 44 -11.638 7.959 -10.491 1.00 51.50 H new ATOM 0 HG13 ILE A 44 -10.010 8.386 -10.979 1.00 51.50 H new ATOM 0 HG21 ILE A 44 -12.000 7.558 -7.908 1.00 5.43 H new ATOM 0 HG22 ILE A 44 -11.468 9.044 -7.086 1.00 5.43 H new ATOM 0 HG23 ILE A 44 -12.417 9.149 -8.588 1.00 5.43 H new ATOM 0 HD11 ILE A 44 -10.385 5.978 -11.188 1.00 70.05 H new ATOM 0 HD12 ILE A 44 -9.145 6.313 -9.955 1.00 70.05 H new ATOM 0 HD13 ILE A 44 -10.798 5.880 -9.459 1.00 70.05 H new ATOM 734 N GLY A 45 -10.338 11.123 -11.188 1.00 45.21 N ATOM 735 CA GLY A 45 -11.172 11.827 -12.144 1.00 42.05 C ATOM 736 C GLY A 45 -10.914 13.321 -12.150 1.00 20.31 C ATOM 737 O GLY A 45 -10.162 13.824 -12.983 1.00 4.43 O ATOM 0 H GLY A 45 -9.380 10.958 -11.496 1.00 45.21 H new ATOM 0 HA2 GLY A 45 -10.993 11.427 -13.142 1.00 42.05 H new ATOM 0 HA3 GLY A 45 -12.221 11.644 -11.911 1.00 42.05 H new ATOM 741 N ASN A 46 -11.542 14.031 -11.218 1.00 45.33 N ATOM 742 CA ASN A 46 -11.378 15.477 -11.120 1.00 42.25 C ATOM 743 C ASN A 46 -12.220 16.044 -9.982 1.00 1.23 C ATOM 744 O ASN A 46 -12.746 17.153 -10.078 1.00 10.13 O ATOM 745 CB ASN A 46 -11.768 16.146 -12.440 1.00 41.01 C ATOM 746 CG ASN A 46 -10.737 17.158 -12.902 1.00 71.24 C ATOM 747 OD1 ASN A 46 -9.533 16.931 -12.785 1.00 43.41 O ATOM 748 ND2 ASN A 46 -11.207 18.282 -13.431 1.00 71.41 N ATOM 0 H ASN A 46 -12.168 13.629 -10.521 1.00 45.33 H new ATOM 0 HA ASN A 46 -10.329 15.685 -10.911 1.00 42.25 H new ATOM 0 HB2 ASN A 46 -11.893 15.383 -13.208 1.00 41.01 H new ATOM 0 HB3 ASN A 46 -12.732 16.641 -12.322 1.00 41.01 H new ATOM 0 HD21 ASN A 46 -10.561 19.000 -13.760 1.00 71.41 H new ATOM 0 HD22 ASN A 46 -12.214 18.427 -13.508 1.00 71.41 H new ATOM 755 N ARG A 47 -12.342 15.276 -8.904 1.00 74.23 N ATOM 756 CA ARG A 47 -13.121 15.701 -7.747 1.00 62.11 C ATOM 757 C ARG A 47 -14.590 15.884 -8.118 1.00 3.15 C ATOM 758 O ARG A 47 -14.954 16.840 -8.802 1.00 13.52 O ATOM 759 CB ARG A 47 -12.560 17.006 -7.180 1.00 51.53 C ATOM 760 CG ARG A 47 -11.075 16.944 -6.862 1.00 51.20 C ATOM 761 CD ARG A 47 -10.359 18.214 -7.294 1.00 11.55 C ATOM 762 NE ARG A 47 -10.036 18.204 -8.718 1.00 32.12 N ATOM 763 CZ ARG A 47 -9.794 19.302 -9.425 1.00 2.25 C ATOM 764 NH1 ARG A 47 -9.837 20.492 -8.842 1.00 52.40 N ATOM 765 NH2 ARG A 47 -9.507 19.211 -10.717 1.00 2.12 N ATOM 0 H ARG A 47 -11.911 14.356 -8.808 1.00 74.23 H new ATOM 0 HA ARG A 47 -13.051 14.923 -6.987 1.00 62.11 H new ATOM 0 HB2 ARG A 47 -12.736 17.809 -7.896 1.00 51.53 H new ATOM 0 HB3 ARG A 47 -13.107 17.263 -6.273 1.00 51.53 H new ATOM 0 HG2 ARG A 47 -10.937 16.794 -5.791 1.00 51.20 H new ATOM 0 HG3 ARG A 47 -10.630 16.085 -7.364 1.00 51.20 H new ATOM 0 HD2 ARG A 47 -10.986 19.077 -7.071 1.00 11.55 H new ATOM 0 HD3 ARG A 47 -9.442 18.328 -6.715 1.00 11.55 H new ATOM 0 HE ARG A 47 -9.994 17.304 -9.196 1.00 32.12 H new ATOM 0 HH11 ARG A 47 -10.056 20.566 -7.849 1.00 52.40 H new ATOM 0 HH12 ARG A 47 -9.651 21.334 -9.387 1.00 52.40 H new ATOM 0 HH21 ARG A 47 -9.472 18.297 -11.169 1.00 2.12 H new ATOM 0 HH22 ARG A 47 -9.321 20.055 -11.259 1.00 2.12 H new ATOM 779 N LYS A 48 -15.429 14.961 -7.661 1.00 71.33 N ATOM 780 CA LYS A 48 -16.858 15.019 -7.943 1.00 55.21 C ATOM 781 C LYS A 48 -17.671 14.602 -6.722 1.00 13.04 C ATOM 782 O LYS A 48 -18.876 14.365 -6.818 1.00 1.54 O ATOM 783 CB LYS A 48 -17.203 14.117 -9.130 1.00 65.13 C ATOM 784 CG LYS A 48 -16.688 14.639 -10.460 1.00 41.24 C ATOM 785 CD LYS A 48 -15.380 13.973 -10.853 1.00 31.40 C ATOM 786 CE LYS A 48 -14.866 14.495 -12.186 1.00 33.11 C ATOM 787 NZ LYS A 48 -15.906 14.419 -13.249 1.00 60.44 N ATOM 0 H LYS A 48 -15.144 14.163 -7.093 1.00 71.33 H new ATOM 0 HA LYS A 48 -17.111 16.049 -8.192 1.00 55.21 H new ATOM 0 HB2 LYS A 48 -16.789 13.124 -8.954 1.00 65.13 H new ATOM 0 HB3 LYS A 48 -18.286 14.005 -9.188 1.00 65.13 H new ATOM 0 HG2 LYS A 48 -17.434 14.462 -11.235 1.00 41.24 H new ATOM 0 HG3 LYS A 48 -16.543 15.718 -10.397 1.00 41.24 H new ATOM 0 HD2 LYS A 48 -14.633 14.151 -10.079 1.00 31.40 H new ATOM 0 HD3 LYS A 48 -15.524 12.894 -10.915 1.00 31.40 H new ATOM 0 HE2 LYS A 48 -14.540 15.529 -12.070 1.00 33.11 H new ATOM 0 HE3 LYS A 48 -13.993 13.918 -12.490 1.00 33.11 H new ATOM 0 HZ1 LYS A 48 -15.457 14.520 -14.182 1.00 60.44 H new ATOM 0 HZ2 LYS A 48 -16.390 13.500 -13.196 1.00 60.44 H new ATOM 0 HZ3 LYS A 48 -16.598 15.183 -13.113 1.00 60.44 H new ATOM 801 N ILE A 49 -17.006 14.515 -5.575 1.00 45.30 N ATOM 802 CA ILE A 49 -17.668 14.129 -4.335 1.00 44.41 C ATOM 803 C ILE A 49 -18.300 15.337 -3.651 1.00 24.44 C ATOM 804 O ILE A 49 -18.983 15.201 -2.637 1.00 32.40 O ATOM 805 CB ILE A 49 -16.686 13.456 -3.359 1.00 25.54 C ATOM 806 CG1 ILE A 49 -15.701 12.568 -4.123 1.00 5.42 C ATOM 807 CG2 ILE A 49 -17.445 12.642 -2.321 1.00 63.13 C ATOM 808 CD1 ILE A 49 -14.365 13.231 -4.380 1.00 20.43 C ATOM 0 H ILE A 49 -16.009 14.707 -5.479 1.00 45.30 H new ATOM 0 HA ILE A 49 -18.448 13.416 -4.602 1.00 44.41 H new ATOM 0 HB ILE A 49 -16.121 14.232 -2.842 1.00 25.54 H new ATOM 0 HG12 ILE A 49 -15.539 11.649 -3.559 1.00 5.42 H new ATOM 0 HG13 ILE A 49 -16.145 12.283 -5.076 1.00 5.42 H new ATOM 0 HG21 ILE A 49 -16.737 12.172 -1.638 1.00 63.13 H new ATOM 0 HG22 ILE A 49 -18.110 13.298 -1.759 1.00 63.13 H new ATOM 0 HG23 ILE A 49 -18.032 11.872 -2.821 1.00 63.13 H new ATOM 0 HD11 ILE A 49 -13.717 12.545 -4.925 1.00 20.43 H new ATOM 0 HD12 ILE A 49 -14.515 14.135 -4.971 1.00 20.43 H new ATOM 0 HD13 ILE A 49 -13.899 13.492 -3.430 1.00 20.43 H new ATOM 820 N ASN A 50 -18.067 16.518 -4.214 1.00 32.05 N ATOM 821 CA ASN A 50 -18.615 17.750 -3.658 1.00 50.21 C ATOM 822 C ASN A 50 -20.107 17.864 -3.955 1.00 12.42 C ATOM 823 O ASN A 50 -20.599 17.317 -4.943 1.00 3.30 O ATOM 824 CB ASN A 50 -17.876 18.963 -4.227 1.00 53.21 C ATOM 825 CG ASN A 50 -18.370 20.270 -3.637 1.00 0.01 C ATOM 826 OD1 ASN A 50 -18.579 20.378 -2.429 1.00 11.54 O ATOM 827 ND2 ASN A 50 -18.559 21.270 -4.490 1.00 0.22 N ATOM 0 H ASN A 50 -17.503 16.648 -5.054 1.00 32.05 H new ATOM 0 HA ASN A 50 -18.479 17.724 -2.577 1.00 50.21 H new ATOM 0 HB2 ASN A 50 -16.809 18.860 -4.031 1.00 53.21 H new ATOM 0 HB3 ASN A 50 -18.001 18.986 -5.310 1.00 53.21 H new ATOM 0 HD21 ASN A 50 -18.891 22.173 -4.152 1.00 0.22 H new ATOM 0 HD22 ASN A 50 -18.373 21.135 -5.484 1.00 0.22 H new ATOM 834 N LEU A 51 -20.823 18.579 -3.093 1.00 60.24 N ATOM 835 CA LEU A 51 -22.260 18.766 -3.263 1.00 2.13 C ATOM 836 C LEU A 51 -22.552 19.718 -4.418 1.00 14.21 C ATOM 837 O LEU A 51 -23.646 19.707 -4.984 1.00 1.24 O ATOM 838 CB LEU A 51 -22.879 19.306 -1.972 1.00 72.15 C ATOM 839 CG LEU A 51 -24.124 18.574 -1.468 1.00 5.40 C ATOM 840 CD1 LEU A 51 -24.487 19.043 -0.068 1.00 31.24 C ATOM 841 CD2 LEU A 51 -25.290 18.785 -2.423 1.00 2.15 C ATOM 0 H LEU A 51 -20.432 19.038 -2.270 1.00 60.24 H new ATOM 0 HA LEU A 51 -22.704 17.798 -3.494 1.00 2.13 H new ATOM 0 HB2 LEU A 51 -22.122 19.275 -1.189 1.00 72.15 H new ATOM 0 HB3 LEU A 51 -23.136 20.354 -2.126 1.00 72.15 H new ATOM 0 HG LEU A 51 -23.904 17.507 -1.426 1.00 5.40 H new ATOM 0 HD11 LEU A 51 -25.375 18.512 0.275 1.00 31.24 H new ATOM 0 HD12 LEU A 51 -23.658 18.840 0.610 1.00 31.24 H new ATOM 0 HD13 LEU A 51 -24.688 20.114 -0.084 1.00 31.24 H new ATOM 0 HD21 LEU A 51 -26.167 18.257 -2.049 1.00 2.15 H new ATOM 0 HD22 LEU A 51 -25.511 19.850 -2.497 1.00 2.15 H new ATOM 0 HD23 LEU A 51 -25.028 18.400 -3.408 1.00 2.15 H new ATOM 853 N PHE A 52 -21.567 20.540 -4.765 1.00 32.13 N ATOM 854 CA PHE A 52 -21.718 21.498 -5.854 1.00 33.03 C ATOM 855 C PHE A 52 -21.182 20.923 -7.162 1.00 15.42 C ATOM 856 O PHE A 52 -21.716 21.197 -8.237 1.00 61.12 O ATOM 857 CB PHE A 52 -20.990 22.801 -5.519 1.00 44.25 C ATOM 858 CG PHE A 52 -21.807 24.032 -5.790 1.00 35.41 C ATOM 859 CD1 PHE A 52 -22.212 24.341 -7.078 1.00 54.22 C ATOM 860 CD2 PHE A 52 -22.171 24.879 -4.756 1.00 2.04 C ATOM 861 CE1 PHE A 52 -22.965 25.473 -7.330 1.00 74.55 C ATOM 862 CE2 PHE A 52 -22.924 26.011 -5.002 1.00 10.44 C ATOM 863 CZ PHE A 52 -23.321 26.309 -6.291 1.00 2.23 C ATOM 0 H PHE A 52 -20.656 20.562 -4.308 1.00 32.13 H new ATOM 0 HA PHE A 52 -22.781 21.706 -5.978 1.00 33.03 H new ATOM 0 HB2 PHE A 52 -20.705 22.788 -4.467 1.00 44.25 H new ATOM 0 HB3 PHE A 52 -20.068 22.852 -6.098 1.00 44.25 H new ATOM 0 HD1 PHE A 52 -21.937 23.690 -7.895 1.00 54.22 H new ATOM 0 HD2 PHE A 52 -21.863 24.652 -3.746 1.00 2.04 H new ATOM 0 HE1 PHE A 52 -23.274 25.703 -8.339 1.00 74.55 H new ATOM 0 HE2 PHE A 52 -23.202 26.663 -4.187 1.00 10.44 H new ATOM 0 HZ PHE A 52 -23.909 27.194 -6.485 1.00 2.23 H new ATOM 873 N TYR A 53 -20.124 20.127 -7.061 1.00 74.32 N ATOM 874 CA TYR A 53 -19.514 19.516 -8.236 1.00 24.53 C ATOM 875 C TYR A 53 -20.386 18.388 -8.779 1.00 22.21 C ATOM 876 O TYR A 53 -20.678 18.333 -9.974 1.00 51.42 O ATOM 877 CB TYR A 53 -18.123 18.979 -7.892 1.00 43.44 C ATOM 878 CG TYR A 53 -17.191 18.908 -9.081 1.00 60.01 C ATOM 879 CD1 TYR A 53 -17.540 18.193 -10.220 1.00 71.21 C ATOM 880 CD2 TYR A 53 -15.961 19.555 -9.065 1.00 34.40 C ATOM 881 CE1 TYR A 53 -16.692 18.124 -11.308 1.00 42.03 C ATOM 882 CE2 TYR A 53 -15.108 19.493 -10.149 1.00 65.51 C ATOM 883 CZ TYR A 53 -15.477 18.776 -11.268 1.00 60.12 C ATOM 884 OH TYR A 53 -14.629 18.711 -12.350 1.00 25.54 O ATOM 0 H TYR A 53 -19.671 19.890 -6.178 1.00 74.32 H new ATOM 0 HA TYR A 53 -19.422 20.282 -9.006 1.00 24.53 H new ATOM 0 HB2 TYR A 53 -17.676 19.615 -7.128 1.00 43.44 H new ATOM 0 HB3 TYR A 53 -18.224 17.983 -7.460 1.00 43.44 H new ATOM 0 HD1 TYR A 53 -18.491 17.682 -10.255 1.00 71.21 H new ATOM 0 HD2 TYR A 53 -15.667 20.116 -8.190 1.00 34.40 H new ATOM 0 HE1 TYR A 53 -16.979 17.563 -12.185 1.00 42.03 H new ATOM 0 HE2 TYR A 53 -14.157 20.003 -10.121 1.00 65.51 H new ATOM 0 HH TYR A 53 -13.816 19.225 -12.160 1.00 25.54 H new ATOM 894 N LEU A 54 -20.799 17.489 -7.892 1.00 52.21 N ATOM 895 CA LEU A 54 -21.639 16.362 -8.280 1.00 73.53 C ATOM 896 C LEU A 54 -22.970 16.844 -8.848 1.00 52.13 C ATOM 897 O LEU A 54 -23.561 16.194 -9.711 1.00 43.03 O ATOM 898 CB LEU A 54 -21.886 15.447 -7.079 1.00 70.34 C ATOM 899 CG LEU A 54 -22.391 14.040 -7.400 1.00 72.41 C ATOM 900 CD1 LEU A 54 -21.308 13.229 -8.095 1.00 53.12 C ATOM 901 CD2 LEU A 54 -22.854 13.337 -6.132 1.00 54.30 C ATOM 0 H LEU A 54 -20.566 17.519 -6.900 1.00 52.21 H new ATOM 0 HA LEU A 54 -21.116 15.802 -9.055 1.00 73.53 H new ATOM 0 HB2 LEU A 54 -20.956 15.358 -6.518 1.00 70.34 H new ATOM 0 HB3 LEU A 54 -22.610 15.930 -6.422 1.00 70.34 H new ATOM 0 HG LEU A 54 -23.242 14.126 -8.076 1.00 72.41 H new ATOM 0 HD11 LEU A 54 -21.686 12.231 -8.315 1.00 53.12 H new ATOM 0 HD12 LEU A 54 -21.024 13.723 -9.024 1.00 53.12 H new ATOM 0 HD13 LEU A 54 -20.437 13.152 -7.444 1.00 53.12 H new ATOM 0 HD21 LEU A 54 -23.210 12.337 -6.380 1.00 54.30 H new ATOM 0 HD22 LEU A 54 -22.021 13.263 -5.432 1.00 54.30 H new ATOM 0 HD23 LEU A 54 -23.663 13.907 -5.674 1.00 54.30 H new ATOM 913 N TYR A 55 -23.436 17.988 -8.360 1.00 45.41 N ATOM 914 CA TYR A 55 -24.697 18.558 -8.819 1.00 2.42 C ATOM 915 C TYR A 55 -24.531 19.220 -10.184 1.00 12.05 C ATOM 916 O TYR A 55 -25.332 19.003 -11.092 1.00 74.11 O ATOM 917 CB TYR A 55 -25.218 19.578 -7.805 1.00 53.21 C ATOM 918 CG TYR A 55 -26.648 20.004 -8.055 1.00 24.42 C ATOM 919 CD1 TYR A 55 -26.940 21.064 -8.903 1.00 44.23 C ATOM 920 CD2 TYR A 55 -27.706 19.344 -7.443 1.00 33.14 C ATOM 921 CE1 TYR A 55 -28.244 21.457 -9.134 1.00 21.44 C ATOM 922 CE2 TYR A 55 -29.014 19.728 -7.668 1.00 41.51 C ATOM 923 CZ TYR A 55 -29.278 20.786 -8.514 1.00 25.40 C ATOM 924 OH TYR A 55 -30.578 21.173 -8.742 1.00 32.52 O ATOM 0 H TYR A 55 -22.959 18.539 -7.646 1.00 45.41 H new ATOM 0 HA TYR A 55 -25.420 17.748 -8.914 1.00 2.42 H new ATOM 0 HB2 TYR A 55 -25.144 19.153 -6.804 1.00 53.21 H new ATOM 0 HB3 TYR A 55 -24.576 20.459 -7.826 1.00 53.21 H new ATOM 0 HD1 TYR A 55 -26.133 21.591 -9.391 1.00 44.23 H new ATOM 0 HD2 TYR A 55 -27.503 18.516 -6.780 1.00 33.14 H new ATOM 0 HE1 TYR A 55 -28.453 22.284 -9.796 1.00 21.44 H new ATOM 0 HE2 TYR A 55 -29.825 19.203 -7.185 1.00 41.51 H new ATOM 0 HH TYR A 55 -31.185 20.598 -8.231 1.00 32.52 H new ATOM 934 N MET A 56 -23.485 20.028 -10.319 1.00 1.10 N ATOM 935 CA MET A 56 -23.212 20.721 -11.573 1.00 21.30 C ATOM 936 C MET A 56 -23.020 19.726 -12.713 1.00 24.41 C ATOM 937 O MET A 56 -23.500 19.941 -13.827 1.00 5.44 O ATOM 938 CB MET A 56 -21.969 21.601 -11.434 1.00 4.31 C ATOM 939 CG MET A 56 -21.842 22.651 -12.526 1.00 12.00 C ATOM 940 SD MET A 56 -22.759 24.157 -12.151 1.00 14.40 S ATOM 941 CE MET A 56 -23.104 24.764 -13.801 1.00 21.42 C ATOM 0 H MET A 56 -22.813 20.219 -9.576 1.00 1.10 H new ATOM 0 HA MET A 56 -24.070 21.352 -11.805 1.00 21.30 H new ATOM 0 HB2 MET A 56 -21.993 22.098 -10.464 1.00 4.31 H new ATOM 0 HB3 MET A 56 -21.082 20.967 -11.446 1.00 4.31 H new ATOM 0 HG2 MET A 56 -20.790 22.897 -12.668 1.00 12.00 H new ATOM 0 HG3 MET A 56 -22.202 22.236 -13.467 1.00 12.00 H new ATOM 0 HE1 MET A 56 -23.668 25.694 -13.736 1.00 21.42 H new ATOM 0 HE2 MET A 56 -22.166 24.945 -14.326 1.00 21.42 H new ATOM 0 HE3 MET A 56 -23.688 24.023 -14.347 1.00 21.42 H new ATOM 951 N LEU A 57 -22.315 18.636 -12.428 1.00 60.04 N ATOM 952 CA LEU A 57 -22.059 17.607 -13.430 1.00 41.14 C ATOM 953 C LEU A 57 -23.365 17.009 -13.943 1.00 51.32 C ATOM 954 O LEU A 57 -23.574 16.890 -15.151 1.00 22.14 O ATOM 955 CB LEU A 57 -21.176 16.504 -12.844 1.00 2.54 C ATOM 956 CG LEU A 57 -20.949 15.282 -13.733 1.00 61.32 C ATOM 957 CD1 LEU A 57 -19.465 15.084 -14.000 1.00 62.22 C ATOM 958 CD2 LEU A 57 -21.548 14.038 -13.093 1.00 61.11 C ATOM 0 H LEU A 57 -21.911 18.442 -11.512 1.00 60.04 H new ATOM 0 HA LEU A 57 -21.540 18.073 -14.268 1.00 41.14 H new ATOM 0 HB2 LEU A 57 -20.205 16.935 -12.599 1.00 2.54 H new ATOM 0 HB3 LEU A 57 -21.622 16.169 -11.907 1.00 2.54 H new ATOM 0 HG LEU A 57 -21.449 15.453 -14.686 1.00 61.32 H new ATOM 0 HD11 LEU A 57 -19.323 14.209 -14.635 1.00 62.22 H new ATOM 0 HD12 LEU A 57 -19.065 15.965 -14.502 1.00 62.22 H new ATOM 0 HD13 LEU A 57 -18.942 14.936 -13.055 1.00 62.22 H new ATOM 0 HD21 LEU A 57 -21.377 13.178 -13.740 1.00 61.11 H new ATOM 0 HD22 LEU A 57 -21.077 13.864 -12.126 1.00 61.11 H new ATOM 0 HD23 LEU A 57 -22.620 14.180 -12.954 1.00 61.11 H new ATOM 970 N VAL A 58 -24.243 16.637 -13.017 1.00 72.33 N ATOM 971 CA VAL A 58 -25.531 16.054 -13.375 1.00 50.43 C ATOM 972 C VAL A 58 -26.352 17.018 -14.225 1.00 35.52 C ATOM 973 O VAL A 58 -26.871 16.644 -15.276 1.00 53.45 O ATOM 974 CB VAL A 58 -26.342 15.672 -12.123 1.00 1.33 C ATOM 975 CG1 VAL A 58 -27.671 15.047 -12.517 1.00 71.12 C ATOM 976 CG2 VAL A 58 -25.541 14.729 -11.237 1.00 53.25 C ATOM 0 H VAL A 58 -24.086 16.729 -12.013 1.00 72.33 H new ATOM 0 HA VAL A 58 -25.322 15.153 -13.951 1.00 50.43 H new ATOM 0 HB VAL A 58 -26.549 16.579 -11.555 1.00 1.33 H new ATOM 0 HG11 VAL A 58 -28.230 14.784 -11.619 1.00 71.12 H new ATOM 0 HG12 VAL A 58 -28.247 15.759 -13.107 1.00 71.12 H new ATOM 0 HG13 VAL A 58 -27.490 14.149 -13.108 1.00 71.12 H new ATOM 0 HG21 VAL A 58 -26.129 14.469 -10.357 1.00 53.25 H new ATOM 0 HG22 VAL A 58 -25.301 13.823 -11.793 1.00 53.25 H new ATOM 0 HG23 VAL A 58 -24.618 15.218 -10.925 1.00 53.25 H new ATOM 986 N GLN A 59 -26.466 18.258 -13.761 1.00 45.02 N ATOM 987 CA GLN A 59 -27.225 19.275 -14.479 1.00 44.12 C ATOM 988 C GLN A 59 -26.657 19.491 -15.878 1.00 53.23 C ATOM 989 O GLN A 59 -27.398 19.752 -16.827 1.00 3.53 O ATOM 990 CB GLN A 59 -27.214 20.593 -13.702 1.00 64.14 C ATOM 991 CG GLN A 59 -28.233 20.644 -12.576 1.00 72.41 C ATOM 992 CD GLN A 59 -29.518 21.337 -12.983 1.00 74.11 C ATOM 993 OE1 GLN A 59 -29.830 22.426 -12.500 1.00 31.44 O ATOM 994 NE2 GLN A 59 -30.273 20.708 -13.877 1.00 41.51 N ATOM 0 H GLN A 59 -26.043 18.583 -12.892 1.00 45.02 H new ATOM 0 HA GLN A 59 -28.253 18.926 -14.574 1.00 44.12 H new ATOM 0 HB2 GLN A 59 -26.219 20.752 -13.287 1.00 64.14 H new ATOM 0 HB3 GLN A 59 -27.407 21.414 -14.393 1.00 64.14 H new ATOM 0 HG2 GLN A 59 -28.460 19.629 -12.250 1.00 72.41 H new ATOM 0 HG3 GLN A 59 -27.799 21.164 -11.722 1.00 72.41 H new ATOM 0 HE21 GLN A 59 -29.976 19.807 -14.251 1.00 41.51 H new ATOM 0 HE22 GLN A 59 -31.149 21.126 -14.189 1.00 41.51 H new ATOM 1003 N LYS A 60 -25.339 19.381 -16.000 1.00 61.23 N ATOM 1004 CA LYS A 60 -24.671 19.563 -17.283 1.00 62.05 C ATOM 1005 C LYS A 60 -24.970 18.399 -18.223 1.00 31.03 C ATOM 1006 O LYS A 60 -25.102 18.583 -19.433 1.00 23.10 O ATOM 1007 CB LYS A 60 -23.160 19.693 -17.081 1.00 5.20 C ATOM 1008 CG LYS A 60 -22.647 21.116 -17.225 1.00 62.34 C ATOM 1009 CD LYS A 60 -21.186 21.142 -17.641 1.00 45.20 C ATOM 1010 CE LYS A 60 -20.382 22.116 -16.792 1.00 72.41 C ATOM 1011 NZ LYS A 60 -20.370 23.484 -17.379 1.00 43.13 N ATOM 0 H LYS A 60 -24.711 19.166 -15.225 1.00 61.23 H new ATOM 0 HA LYS A 60 -25.051 20.479 -17.735 1.00 62.05 H new ATOM 0 HB2 LYS A 60 -22.901 19.321 -16.090 1.00 5.20 H new ATOM 0 HB3 LYS A 60 -22.649 19.057 -17.804 1.00 5.20 H new ATOM 0 HG2 LYS A 60 -23.246 21.647 -17.965 1.00 62.34 H new ATOM 0 HG3 LYS A 60 -22.766 21.644 -16.279 1.00 62.34 H new ATOM 0 HD2 LYS A 60 -20.762 20.142 -17.549 1.00 45.20 H new ATOM 0 HD3 LYS A 60 -21.110 21.425 -18.691 1.00 45.20 H new ATOM 0 HE2 LYS A 60 -20.803 22.156 -15.787 1.00 72.41 H new ATOM 0 HE3 LYS A 60 -19.359 21.754 -16.694 1.00 72.41 H new ATOM 0 HZ1 LYS A 60 -19.812 24.118 -16.771 1.00 43.13 H new ATOM 0 HZ2 LYS A 60 -19.945 23.451 -18.328 1.00 43.13 H new ATOM 0 HZ3 LYS A 60 -21.345 23.840 -17.449 1.00 43.13 H new ATOM 1025 N PHE A 61 -25.078 17.201 -17.658 1.00 2.15 N ATOM 1026 CA PHE A 61 -25.362 16.007 -18.445 1.00 13.12 C ATOM 1027 C PHE A 61 -26.833 15.960 -18.850 1.00 3.22 C ATOM 1028 O PHE A 61 -27.241 15.120 -19.650 1.00 40.14 O ATOM 1029 CB PHE A 61 -25.000 14.749 -17.652 1.00 45.54 C ATOM 1030 CG PHE A 61 -23.555 14.358 -17.777 1.00 3.51 C ATOM 1031 CD1 PHE A 61 -22.993 14.119 -19.020 1.00 44.35 C ATOM 1032 CD2 PHE A 61 -22.759 14.230 -16.650 1.00 64.41 C ATOM 1033 CE1 PHE A 61 -21.663 13.760 -19.139 1.00 32.34 C ATOM 1034 CE2 PHE A 61 -21.429 13.871 -16.762 1.00 63.30 C ATOM 1035 CZ PHE A 61 -20.881 13.634 -18.008 1.00 4.34 C ATOM 0 H PHE A 61 -24.973 17.031 -16.658 1.00 2.15 H new ATOM 0 HA PHE A 61 -24.755 16.046 -19.349 1.00 13.12 H new ATOM 0 HB2 PHE A 61 -25.235 14.912 -16.600 1.00 45.54 H new ATOM 0 HB3 PHE A 61 -25.623 13.922 -17.993 1.00 45.54 H new ATOM 0 HD1 PHE A 61 -23.601 14.214 -19.907 1.00 44.35 H new ATOM 0 HD2 PHE A 61 -23.182 14.413 -15.673 1.00 64.41 H new ATOM 0 HE1 PHE A 61 -21.237 13.579 -20.115 1.00 32.34 H new ATOM 0 HE2 PHE A 61 -20.819 13.776 -15.876 1.00 63.30 H new ATOM 0 HZ PHE A 61 -19.843 13.351 -18.097 1.00 4.34 H new ATOM 1045 N GLY A 62 -27.624 16.870 -18.289 1.00 72.31 N ATOM 1046 CA GLY A 62 -29.040 16.915 -18.603 1.00 14.14 C ATOM 1047 C GLY A 62 -29.892 16.254 -17.537 1.00 23.40 C ATOM 1048 O GLY A 62 -31.052 15.922 -17.777 1.00 1.24 O ATOM 0 H GLY A 62 -27.310 17.576 -17.623 1.00 72.31 H new ATOM 0 HA2 GLY A 62 -29.350 17.953 -18.719 1.00 14.14 H new ATOM 0 HA3 GLY A 62 -29.213 16.422 -19.559 1.00 14.14 H new ATOM 1052 N GLY A 63 -29.313 16.059 -16.356 1.00 12.24 N ATOM 1053 CA GLY A 63 -30.041 15.432 -15.268 1.00 5.03 C ATOM 1054 C GLY A 63 -29.723 13.956 -15.133 1.00 3.12 C ATOM 1055 O GLY A 63 -29.310 13.313 -16.097 1.00 70.51 O ATOM 0 H GLY A 63 -28.353 16.324 -16.133 1.00 12.24 H new ATOM 0 HA2 GLY A 63 -29.800 15.939 -14.334 1.00 5.03 H new ATOM 0 HA3 GLY A 63 -31.111 15.557 -15.432 1.00 5.03 H new ATOM 1059 N ALA A 64 -29.914 13.419 -13.932 1.00 64.44 N ATOM 1060 CA ALA A 64 -29.645 12.009 -13.675 1.00 2.31 C ATOM 1061 C ALA A 64 -30.340 11.121 -14.701 1.00 54.30 C ATOM 1062 O ALA A 64 -29.838 10.054 -15.054 1.00 53.24 O ATOM 1063 CB ALA A 64 -30.085 11.637 -12.267 1.00 21.21 C ATOM 0 H ALA A 64 -30.254 13.938 -13.123 1.00 64.44 H new ATOM 0 HA ALA A 64 -28.571 11.847 -13.763 1.00 2.31 H new ATOM 0 HB1 ALA A 64 -29.879 10.582 -12.088 1.00 21.21 H new ATOM 0 HB2 ALA A 64 -29.538 12.241 -11.543 1.00 21.21 H new ATOM 0 HB3 ALA A 64 -31.154 11.821 -12.159 1.00 21.21 H new ATOM 1069 N ASP A 65 -31.498 11.568 -15.175 1.00 51.20 N ATOM 1070 CA ASP A 65 -32.263 10.814 -16.161 1.00 62.23 C ATOM 1071 C ASP A 65 -31.527 10.763 -17.497 1.00 1.33 C ATOM 1072 O ASP A 65 -31.557 9.750 -18.194 1.00 70.21 O ATOM 1073 CB ASP A 65 -33.647 11.437 -16.351 1.00 4.13 C ATOM 1074 CG ASP A 65 -34.272 11.867 -15.038 1.00 54.15 C ATOM 1075 OD1 ASP A 65 -34.009 13.007 -14.601 1.00 62.52 O ATOM 1076 OD2 ASP A 65 -35.025 11.064 -14.448 1.00 60.33 O ATOM 0 H ASP A 65 -31.927 12.449 -14.892 1.00 51.20 H new ATOM 0 HA ASP A 65 -32.380 9.795 -15.791 1.00 62.23 H new ATOM 0 HB2 ASP A 65 -33.566 12.300 -17.012 1.00 4.13 H new ATOM 0 HB3 ASP A 65 -34.302 10.718 -16.844 1.00 4.13 H new ATOM 1081 N GLN A 66 -30.868 11.864 -17.846 1.00 34.24 N ATOM 1082 CA GLN A 66 -30.127 11.945 -19.098 1.00 64.34 C ATOM 1083 C GLN A 66 -28.897 11.043 -19.062 1.00 75.44 C ATOM 1084 O GLN A 66 -28.534 10.431 -20.067 1.00 44.32 O ATOM 1085 CB GLN A 66 -29.706 13.389 -19.374 1.00 2.30 C ATOM 1086 CG GLN A 66 -29.546 13.705 -20.852 1.00 64.24 C ATOM 1087 CD GLN A 66 -30.282 14.964 -21.263 1.00 53.45 C ATOM 1088 OE1 GLN A 66 -31.370 15.252 -20.764 1.00 12.35 O ATOM 1089 NE2 GLN A 66 -29.692 15.724 -22.179 1.00 70.41 N ATOM 0 H GLN A 66 -30.833 12.711 -17.279 1.00 34.24 H new ATOM 0 HA GLN A 66 -30.782 11.605 -19.901 1.00 64.34 H new ATOM 0 HB2 GLN A 66 -30.448 14.063 -18.945 1.00 2.30 H new ATOM 0 HB3 GLN A 66 -28.763 13.587 -18.865 1.00 2.30 H new ATOM 0 HG2 GLN A 66 -28.487 13.816 -21.083 1.00 64.24 H new ATOM 0 HG3 GLN A 66 -29.914 12.865 -21.441 1.00 64.24 H new ATOM 0 HE21 GLN A 66 -28.790 15.448 -22.567 1.00 70.41 H new ATOM 0 HE22 GLN A 66 -30.141 16.584 -22.495 1.00 70.41 H new ATOM 1098 N VAL A 67 -28.261 10.964 -17.898 1.00 42.22 N ATOM 1099 CA VAL A 67 -27.072 10.136 -17.731 1.00 15.11 C ATOM 1100 C VAL A 67 -27.413 8.655 -17.851 1.00 54.12 C ATOM 1101 O VAL A 67 -26.619 7.862 -18.357 1.00 43.15 O ATOM 1102 CB VAL A 67 -26.400 10.388 -16.368 1.00 72.12 C ATOM 1103 CG1 VAL A 67 -25.058 9.677 -16.295 1.00 64.44 C ATOM 1104 CG2 VAL A 67 -26.236 11.880 -16.123 1.00 52.32 C ATOM 0 H VAL A 67 -28.549 11.463 -17.056 1.00 42.22 H new ATOM 0 HA VAL A 67 -26.379 10.412 -18.526 1.00 15.11 H new ATOM 0 HB VAL A 67 -27.042 9.983 -15.586 1.00 72.12 H new ATOM 0 HG11 VAL A 67 -24.598 9.867 -15.325 1.00 64.44 H new ATOM 0 HG12 VAL A 67 -25.207 8.605 -16.423 1.00 64.44 H new ATOM 0 HG13 VAL A 67 -24.406 10.049 -17.085 1.00 64.44 H new ATOM 0 HG21 VAL A 67 -25.760 12.040 -15.156 1.00 52.32 H new ATOM 0 HG22 VAL A 67 -25.616 12.312 -16.909 1.00 52.32 H new ATOM 0 HG23 VAL A 67 -27.215 12.359 -16.129 1.00 52.32 H new ATOM 1114 N THR A 68 -28.602 8.287 -17.382 1.00 62.15 N ATOM 1115 CA THR A 68 -29.049 6.901 -17.437 1.00 22.25 C ATOM 1116 C THR A 68 -29.725 6.593 -18.767 1.00 74.23 C ATOM 1117 O THR A 68 -29.713 5.453 -19.232 1.00 21.45 O ATOM 1118 CB THR A 68 -30.027 6.581 -16.290 1.00 64.32 C ATOM 1119 OG1 THR A 68 -30.409 5.202 -16.343 1.00 72.13 O ATOM 1120 CG2 THR A 68 -31.265 7.460 -16.374 1.00 74.44 C ATOM 0 H THR A 68 -29.272 8.930 -16.960 1.00 62.15 H new ATOM 0 HA THR A 68 -28.161 6.278 -17.332 1.00 22.25 H new ATOM 0 HB THR A 68 -29.523 6.781 -15.345 1.00 64.32 H new ATOM 0 HG1 THR A 68 -31.029 5.006 -15.610 1.00 72.13 H new ATOM 0 HG21 THR A 68 -31.941 7.216 -15.554 1.00 74.44 H new ATOM 0 HG22 THR A 68 -30.973 8.508 -16.304 1.00 74.44 H new ATOM 0 HG23 THR A 68 -31.770 7.287 -17.324 1.00 74.44 H new ATOM 1128 N ARG A 69 -30.315 7.616 -19.377 1.00 42.10 N ATOM 1129 CA ARG A 69 -30.997 7.454 -20.655 1.00 72.21 C ATOM 1130 C ARG A 69 -30.064 6.841 -21.696 1.00 12.24 C ATOM 1131 O ARG A 69 -30.471 5.989 -22.486 1.00 31.22 O ATOM 1132 CB ARG A 69 -31.519 8.803 -21.154 1.00 32.44 C ATOM 1133 CG ARG A 69 -32.068 8.757 -22.570 1.00 53.32 C ATOM 1134 CD ARG A 69 -31.055 9.279 -23.577 1.00 54.03 C ATOM 1135 NE ARG A 69 -31.496 10.523 -24.202 1.00 41.41 N ATOM 1136 CZ ARG A 69 -32.388 10.577 -25.185 1.00 64.53 C ATOM 1137 NH1 ARG A 69 -32.931 9.461 -25.653 1.00 12.23 N ATOM 1138 NH2 ARG A 69 -32.738 11.747 -25.703 1.00 3.25 N ATOM 0 H ARG A 69 -30.334 8.566 -19.006 1.00 42.10 H new ATOM 0 HA ARG A 69 -31.840 6.779 -20.505 1.00 72.21 H new ATOM 0 HB2 ARG A 69 -32.302 9.152 -20.481 1.00 32.44 H new ATOM 0 HB3 ARG A 69 -30.712 9.534 -21.110 1.00 32.44 H new ATOM 0 HG2 ARG A 69 -32.339 7.732 -22.823 1.00 53.32 H new ATOM 0 HG3 ARG A 69 -32.980 9.352 -22.628 1.00 53.32 H new ATOM 0 HD2 ARG A 69 -30.100 9.443 -23.079 1.00 54.03 H new ATOM 0 HD3 ARG A 69 -30.888 8.526 -24.347 1.00 54.03 H new ATOM 0 HE ARG A 69 -31.097 11.399 -23.865 1.00 41.41 H new ATOM 0 HH11 ARG A 69 -32.664 8.559 -25.258 1.00 12.23 H new ATOM 0 HH12 ARG A 69 -33.616 9.505 -26.408 1.00 12.23 H new ATOM 0 HH21 ARG A 69 -32.322 12.607 -25.347 1.00 3.25 H new ATOM 0 HH22 ARG A 69 -33.423 11.786 -26.458 1.00 3.25 H new ATOM 1152 N THR A 70 -28.810 7.282 -21.691 1.00 21.11 N ATOM 1153 CA THR A 70 -27.820 6.779 -22.634 1.00 45.15 C ATOM 1154 C THR A 70 -26.875 5.787 -21.964 1.00 54.54 C ATOM 1155 O THR A 70 -25.898 5.344 -22.566 1.00 41.34 O ATOM 1156 CB THR A 70 -26.992 7.926 -23.245 1.00 52.00 C ATOM 1157 OG1 THR A 70 -26.981 9.049 -22.356 1.00 60.24 O ATOM 1158 CG2 THR A 70 -27.560 8.345 -24.593 1.00 11.03 C ATOM 0 H THR A 70 -28.456 7.987 -21.044 1.00 21.11 H new ATOM 0 HA THR A 70 -28.369 6.274 -23.428 1.00 45.15 H new ATOM 0 HB THR A 70 -25.972 7.570 -23.393 1.00 52.00 H new ATOM 0 HG1 THR A 70 -26.452 9.773 -22.750 1.00 60.24 H new ATOM 0 HG21 THR A 70 -26.959 9.156 -25.005 1.00 11.03 H new ATOM 0 HG22 THR A 70 -27.540 7.496 -25.276 1.00 11.03 H new ATOM 0 HG23 THR A 70 -28.588 8.684 -24.465 1.00 11.03 H new ATOM 1166 N GLN A 71 -27.175 5.443 -20.716 1.00 41.40 N ATOM 1167 CA GLN A 71 -26.351 4.503 -19.965 1.00 14.32 C ATOM 1168 C GLN A 71 -24.906 4.984 -19.892 1.00 63.40 C ATOM 1169 O GLN A 71 -23.977 4.228 -20.176 1.00 5.21 O ATOM 1170 CB GLN A 71 -26.409 3.116 -20.607 1.00 43.21 C ATOM 1171 CG GLN A 71 -27.734 2.402 -20.394 1.00 65.45 C ATOM 1172 CD GLN A 71 -27.570 0.902 -20.244 1.00 72.02 C ATOM 1173 OE1 GLN A 71 -26.878 0.429 -19.343 1.00 22.52 O ATOM 1174 NE2 GLN A 71 -28.209 0.145 -21.129 1.00 2.11 N ATOM 0 H GLN A 71 -27.981 5.800 -20.204 1.00 41.40 H new ATOM 0 HA GLN A 71 -26.745 4.442 -18.951 1.00 14.32 H new ATOM 0 HB2 GLN A 71 -26.226 3.212 -21.677 1.00 43.21 H new ATOM 0 HB3 GLN A 71 -25.605 2.502 -20.200 1.00 43.21 H new ATOM 0 HG2 GLN A 71 -28.219 2.802 -19.503 1.00 65.45 H new ATOM 0 HG3 GLN A 71 -28.394 2.609 -21.236 1.00 65.45 H new ATOM 0 HE21 GLN A 71 -28.772 0.580 -21.860 1.00 2.11 H new ATOM 0 HE22 GLN A 71 -28.137 -0.871 -21.078 1.00 2.11 H new ATOM 1183 N GLN A 72 -24.724 6.244 -19.510 1.00 74.34 N ATOM 1184 CA GLN A 72 -23.391 6.824 -19.402 1.00 13.32 C ATOM 1185 C GLN A 72 -22.941 6.885 -17.946 1.00 11.21 C ATOM 1186 O GLN A 72 -21.752 7.025 -17.659 1.00 71.13 O ATOM 1187 CB GLN A 72 -23.371 8.226 -20.013 1.00 51.23 C ATOM 1188 CG GLN A 72 -22.771 8.273 -21.409 1.00 61.52 C ATOM 1189 CD GLN A 72 -21.300 8.638 -21.400 1.00 42.41 C ATOM 1190 OE1 GLN A 72 -20.516 8.087 -20.627 1.00 62.43 O ATOM 1191 NE2 GLN A 72 -20.917 9.573 -22.262 1.00 3.44 N ATOM 0 H GLN A 72 -25.483 6.882 -19.270 1.00 74.34 H new ATOM 0 HA GLN A 72 -22.699 6.186 -19.951 1.00 13.32 H new ATOM 0 HB2 GLN A 72 -24.390 8.611 -20.051 1.00 51.23 H new ATOM 0 HB3 GLN A 72 -22.804 8.890 -19.360 1.00 51.23 H new ATOM 0 HG2 GLN A 72 -22.897 7.302 -21.888 1.00 61.52 H new ATOM 0 HG3 GLN A 72 -23.318 8.999 -22.011 1.00 61.52 H new ATOM 0 HE21 GLN A 72 -21.601 10.003 -22.885 1.00 3.44 H new ATOM 0 HE22 GLN A 72 -19.939 9.861 -22.301 1.00 3.44 H new ATOM 1200 N TRP A 73 -23.898 6.780 -17.031 1.00 72.13 N ATOM 1201 CA TRP A 73 -23.600 6.824 -15.604 1.00 65.53 C ATOM 1202 C TRP A 73 -22.505 5.824 -15.246 1.00 74.13 C ATOM 1203 O TRP A 73 -21.694 6.071 -14.354 1.00 62.04 O ATOM 1204 CB TRP A 73 -24.861 6.532 -14.789 1.00 64.23 C ATOM 1205 CG TRP A 73 -25.449 5.182 -15.069 1.00 13.14 C ATOM 1206 CD1 TRP A 73 -26.147 4.806 -16.181 1.00 45.31 C ATOM 1207 CD2 TRP A 73 -25.394 4.031 -14.220 1.00 25.53 C ATOM 1208 NE1 TRP A 73 -26.528 3.490 -16.075 1.00 4.41 N ATOM 1209 CE2 TRP A 73 -26.077 2.992 -14.881 1.00 72.33 C ATOM 1210 CE3 TRP A 73 -24.831 3.775 -12.966 1.00 40.12 C ATOM 1211 CZ2 TRP A 73 -26.213 1.721 -14.330 1.00 21.44 C ATOM 1212 CZ3 TRP A 73 -24.967 2.513 -12.420 1.00 2.12 C ATOM 1213 CH2 TRP A 73 -25.652 1.499 -13.101 1.00 74.51 C ATOM 0 H TRP A 73 -24.887 6.664 -17.252 1.00 72.13 H new ATOM 0 HA TRP A 73 -23.245 7.826 -15.363 1.00 65.53 H new ATOM 0 HB2 TRP A 73 -24.624 6.604 -13.728 1.00 64.23 H new ATOM 0 HB3 TRP A 73 -25.608 7.297 -15.002 1.00 64.23 H new ATOM 0 HD1 TRP A 73 -26.367 5.449 -17.021 1.00 45.31 H new ATOM 0 HE1 TRP A 73 -27.060 2.969 -16.772 1.00 4.41 H new ATOM 0 HE3 TRP A 73 -24.299 4.550 -12.434 1.00 40.12 H new ATOM 0 HZ2 TRP A 73 -26.742 0.938 -14.853 1.00 21.44 H new ATOM 0 HZ3 TRP A 73 -24.538 2.305 -11.451 1.00 2.12 H new ATOM 0 HH2 TRP A 73 -25.739 0.523 -12.648 1.00 74.51 H new ATOM 1224 N SER A 74 -22.489 4.695 -15.947 1.00 61.33 N ATOM 1225 CA SER A 74 -21.496 3.656 -15.700 1.00 44.02 C ATOM 1226 C SER A 74 -20.088 4.171 -15.987 1.00 74.21 C ATOM 1227 O SER A 74 -19.168 3.965 -15.197 1.00 65.21 O ATOM 1228 CB SER A 74 -21.787 2.427 -16.563 1.00 21.30 C ATOM 1229 OG SER A 74 -21.422 2.653 -17.913 1.00 51.34 O ATOM 0 H SER A 74 -23.152 4.476 -16.690 1.00 61.33 H new ATOM 0 HA SER A 74 -21.554 3.375 -14.649 1.00 44.02 H new ATOM 0 HB2 SER A 74 -21.240 1.568 -16.174 1.00 21.30 H new ATOM 0 HB3 SER A 74 -22.848 2.182 -16.506 1.00 21.30 H new ATOM 0 HG SER A 74 -21.616 1.852 -18.443 1.00 51.34 H new ATOM 1235 N MET A 75 -19.931 4.842 -17.123 1.00 62.45 N ATOM 1236 CA MET A 75 -18.636 5.387 -17.515 1.00 13.40 C ATOM 1237 C MET A 75 -18.276 6.599 -16.661 1.00 32.33 C ATOM 1238 O MET A 75 -17.155 6.709 -16.164 1.00 52.51 O ATOM 1239 CB MET A 75 -18.650 5.778 -18.994 1.00 62.22 C ATOM 1240 CG MET A 75 -17.798 4.873 -19.869 1.00 71.53 C ATOM 1241 SD MET A 75 -18.733 3.493 -20.558 1.00 65.20 S ATOM 1242 CE MET A 75 -17.421 2.309 -20.852 1.00 71.10 C ATOM 0 H MET A 75 -20.683 5.021 -17.788 1.00 62.45 H new ATOM 0 HA MET A 75 -17.882 4.616 -17.357 1.00 13.40 H new ATOM 0 HB2 MET A 75 -19.678 5.758 -19.357 1.00 62.22 H new ATOM 0 HB3 MET A 75 -18.296 6.804 -19.094 1.00 62.22 H new ATOM 0 HG2 MET A 75 -17.370 5.459 -20.682 1.00 71.53 H new ATOM 0 HG3 MET A 75 -16.965 4.486 -19.282 1.00 71.53 H new ATOM 0 HE1 MET A 75 -17.841 1.399 -21.279 1.00 71.10 H new ATOM 0 HE2 MET A 75 -16.696 2.734 -21.546 1.00 71.10 H new ATOM 0 HE3 MET A 75 -16.926 2.073 -19.910 1.00 71.10 H new ATOM 1252 N VAL A 76 -19.234 7.505 -16.494 1.00 1.43 N ATOM 1253 CA VAL A 76 -19.018 8.708 -15.699 1.00 5.33 C ATOM 1254 C VAL A 76 -18.656 8.358 -14.260 1.00 1.34 C ATOM 1255 O VAL A 76 -17.704 8.900 -13.699 1.00 11.43 O ATOM 1256 CB VAL A 76 -20.265 9.612 -15.698 1.00 4.33 C ATOM 1257 CG1 VAL A 76 -20.016 10.865 -14.872 1.00 4.02 C ATOM 1258 CG2 VAL A 76 -20.662 9.972 -17.121 1.00 51.52 C ATOM 0 H VAL A 76 -20.167 7.429 -16.899 1.00 1.43 H new ATOM 0 HA VAL A 76 -18.189 9.246 -16.159 1.00 5.33 H new ATOM 0 HB VAL A 76 -21.090 9.064 -15.242 1.00 4.33 H new ATOM 0 HG11 VAL A 76 -20.908 11.491 -14.883 1.00 4.02 H new ATOM 0 HG12 VAL A 76 -19.783 10.583 -13.845 1.00 4.02 H new ATOM 0 HG13 VAL A 76 -19.178 11.419 -15.295 1.00 4.02 H new ATOM 0 HG21 VAL A 76 -21.545 10.611 -17.102 1.00 51.52 H new ATOM 0 HG22 VAL A 76 -19.841 10.501 -17.605 1.00 51.52 H new ATOM 0 HG23 VAL A 76 -20.885 9.062 -17.678 1.00 51.52 H new ATOM 1268 N ALA A 77 -19.422 7.448 -13.667 1.00 50.14 N ATOM 1269 CA ALA A 77 -19.181 7.023 -12.294 1.00 40.31 C ATOM 1270 C ALA A 77 -17.754 6.513 -12.120 1.00 15.45 C ATOM 1271 O ALA A 77 -17.124 6.749 -11.089 1.00 42.14 O ATOM 1272 CB ALA A 77 -20.180 5.949 -11.891 1.00 15.44 C ATOM 0 H ALA A 77 -20.215 6.991 -14.117 1.00 50.14 H new ATOM 0 HA ALA A 77 -19.312 7.888 -11.644 1.00 40.31 H new ATOM 0 HB1 ALA A 77 -19.988 5.641 -10.863 1.00 15.44 H new ATOM 0 HB2 ALA A 77 -21.192 6.346 -11.968 1.00 15.44 H new ATOM 0 HB3 ALA A 77 -20.077 5.089 -12.553 1.00 15.44 H new ATOM 1278 N GLN A 78 -17.253 5.814 -13.132 1.00 71.41 N ATOM 1279 CA GLN A 78 -15.901 5.269 -13.089 1.00 0.54 C ATOM 1280 C GLN A 78 -14.869 6.385 -12.958 1.00 52.02 C ATOM 1281 O GLN A 78 -13.833 6.213 -12.316 1.00 43.15 O ATOM 1282 CB GLN A 78 -15.620 4.443 -14.345 1.00 13.30 C ATOM 1283 CG GLN A 78 -14.169 4.012 -14.478 1.00 23.24 C ATOM 1284 CD GLN A 78 -13.438 4.752 -15.581 1.00 12.35 C ATOM 1285 OE1 GLN A 78 -13.870 4.755 -16.734 1.00 10.13 O ATOM 1286 NE2 GLN A 78 -12.325 5.386 -15.232 1.00 24.13 N ATOM 0 H GLN A 78 -17.762 5.611 -13.992 1.00 71.41 H new ATOM 0 HA GLN A 78 -15.825 4.623 -12.214 1.00 0.54 H new ATOM 0 HB2 GLN A 78 -16.254 3.557 -14.336 1.00 13.30 H new ATOM 0 HB3 GLN A 78 -15.899 5.026 -15.223 1.00 13.30 H new ATOM 0 HG2 GLN A 78 -13.656 4.180 -13.531 1.00 23.24 H new ATOM 0 HG3 GLN A 78 -14.129 2.941 -14.676 1.00 23.24 H new ATOM 0 HE21 GLN A 78 -12.004 5.357 -14.264 1.00 24.13 H new ATOM 0 HE22 GLN A 78 -11.791 5.902 -15.931 1.00 24.13 H new ATOM 1295 N ARG A 79 -15.160 7.528 -13.571 1.00 61.21 N ATOM 1296 CA ARG A 79 -14.256 8.671 -13.525 1.00 14.03 C ATOM 1297 C ARG A 79 -14.040 9.135 -12.087 1.00 55.43 C ATOM 1298 O ARG A 79 -12.924 9.477 -11.695 1.00 21.42 O ATOM 1299 CB ARG A 79 -14.812 9.822 -14.366 1.00 31.23 C ATOM 1300 CG ARG A 79 -13.920 10.208 -15.534 1.00 0.50 C ATOM 1301 CD ARG A 79 -12.594 10.781 -15.057 1.00 72.30 C ATOM 1302 NE ARG A 79 -12.638 12.235 -14.936 1.00 0.44 N ATOM 1303 CZ ARG A 79 -12.509 13.063 -15.967 1.00 15.14 C ATOM 1304 NH1 ARG A 79 -12.331 12.582 -17.189 1.00 64.11 N ATOM 1305 NH2 ARG A 79 -12.560 14.375 -15.776 1.00 13.21 N ATOM 0 H ARG A 79 -16.014 7.687 -14.105 1.00 61.21 H new ATOM 0 HA ARG A 79 -13.296 8.360 -13.937 1.00 14.03 H new ATOM 0 HB2 ARG A 79 -15.794 9.541 -14.747 1.00 31.23 H new ATOM 0 HB3 ARG A 79 -14.955 10.693 -13.726 1.00 31.23 H new ATOM 0 HG2 ARG A 79 -13.736 9.333 -16.158 1.00 0.50 H new ATOM 0 HG3 ARG A 79 -14.432 10.942 -16.157 1.00 0.50 H new ATOM 0 HD2 ARG A 79 -12.337 10.345 -14.092 1.00 72.30 H new ATOM 0 HD3 ARG A 79 -11.805 10.499 -15.755 1.00 72.30 H new ATOM 0 HE ARG A 79 -12.775 12.638 -14.009 1.00 0.44 H new ATOM 0 HH11 ARG A 79 -12.293 11.574 -17.340 1.00 64.11 H new ATOM 0 HH12 ARG A 79 -12.232 13.220 -17.979 1.00 64.11 H new ATOM 0 HH21 ARG A 79 -12.698 14.749 -14.837 1.00 13.21 H new ATOM 0 HH22 ARG A 79 -12.461 15.010 -16.568 1.00 13.21 H new ATOM 1319 N LEU A 80 -15.115 9.146 -11.307 1.00 55.40 N ATOM 1320 CA LEU A 80 -15.044 9.569 -9.913 1.00 15.34 C ATOM 1321 C LEU A 80 -14.932 8.365 -8.983 1.00 63.04 C ATOM 1322 O LEU A 80 -14.891 8.514 -7.762 1.00 63.55 O ATOM 1323 CB LEU A 80 -16.278 10.396 -9.547 1.00 11.54 C ATOM 1324 CG LEU A 80 -17.536 10.127 -10.373 1.00 33.24 C ATOM 1325 CD1 LEU A 80 -18.784 10.436 -9.561 1.00 34.05 C ATOM 1326 CD2 LEU A 80 -17.517 10.944 -11.656 1.00 61.02 C ATOM 0 H LEU A 80 -16.046 8.867 -11.616 1.00 55.40 H new ATOM 0 HA LEU A 80 -14.152 10.184 -9.791 1.00 15.34 H new ATOM 0 HB2 LEU A 80 -16.512 10.218 -8.497 1.00 11.54 H new ATOM 0 HB3 LEU A 80 -16.024 11.452 -9.642 1.00 11.54 H new ATOM 0 HG LEU A 80 -17.553 9.070 -10.639 1.00 33.24 H new ATOM 0 HD11 LEU A 80 -19.669 10.239 -10.165 1.00 34.05 H new ATOM 0 HD12 LEU A 80 -18.804 9.807 -8.671 1.00 34.05 H new ATOM 0 HD13 LEU A 80 -18.774 11.485 -9.264 1.00 34.05 H new ATOM 0 HD21 LEU A 80 -18.420 10.740 -12.231 1.00 61.02 H new ATOM 0 HD22 LEU A 80 -17.475 12.005 -11.411 1.00 61.02 H new ATOM 0 HD23 LEU A 80 -16.642 10.673 -12.247 1.00 61.02 H new ATOM 1338 N GLN A 81 -14.880 7.174 -9.571 1.00 22.34 N ATOM 1339 CA GLN A 81 -14.770 5.944 -8.795 1.00 1.24 C ATOM 1340 C GLN A 81 -15.994 5.750 -7.906 1.00 52.01 C ATOM 1341 O GLN A 81 -15.869 5.503 -6.706 1.00 72.43 O ATOM 1342 CB GLN A 81 -13.502 5.968 -7.939 1.00 14.04 C ATOM 1343 CG GLN A 81 -13.180 4.631 -7.292 1.00 21.42 C ATOM 1344 CD GLN A 81 -11.722 4.512 -6.892 1.00 14.20 C ATOM 1345 OE1 GLN A 81 -11.206 5.334 -6.134 1.00 63.14 O ATOM 1346 NE2 GLN A 81 -11.050 3.486 -7.400 1.00 74.22 N ATOM 0 H GLN A 81 -14.912 7.035 -10.581 1.00 22.34 H new ATOM 0 HA GLN A 81 -14.714 5.108 -9.492 1.00 1.24 H new ATOM 0 HB2 GLN A 81 -12.660 6.274 -8.560 1.00 14.04 H new ATOM 0 HB3 GLN A 81 -13.614 6.722 -7.160 1.00 14.04 H new ATOM 0 HG2 GLN A 81 -13.807 4.498 -6.410 1.00 21.42 H new ATOM 0 HG3 GLN A 81 -13.430 3.827 -7.984 1.00 21.42 H new ATOM 0 HE21 GLN A 81 -11.518 2.829 -8.024 1.00 74.22 H new ATOM 0 HE22 GLN A 81 -10.066 3.355 -7.166 1.00 74.22 H new ATOM 1355 N ILE A 82 -17.176 5.864 -8.503 1.00 10.14 N ATOM 1356 CA ILE A 82 -18.422 5.700 -7.765 1.00 14.31 C ATOM 1357 C ILE A 82 -19.130 4.409 -8.162 1.00 14.33 C ATOM 1358 O ILE A 82 -19.886 3.837 -7.376 1.00 53.14 O ATOM 1359 CB ILE A 82 -19.375 6.888 -7.998 1.00 71.44 C ATOM 1360 CG1 ILE A 82 -18.806 8.159 -7.365 1.00 22.31 C ATOM 1361 CG2 ILE A 82 -20.754 6.580 -7.434 1.00 22.43 C ATOM 1362 CD1 ILE A 82 -18.608 8.052 -5.869 1.00 65.31 C ATOM 0 H ILE A 82 -17.297 6.069 -9.495 1.00 10.14 H new ATOM 0 HA ILE A 82 -18.160 5.657 -6.708 1.00 14.31 H new ATOM 0 HB ILE A 82 -19.471 7.052 -9.071 1.00 71.44 H new ATOM 0 HG12 ILE A 82 -17.850 8.392 -7.834 1.00 22.31 H new ATOM 0 HG13 ILE A 82 -19.477 8.992 -7.576 1.00 22.31 H new ATOM 0 HG21 ILE A 82 -21.416 7.429 -7.606 1.00 22.43 H new ATOM 0 HG22 ILE A 82 -21.160 5.697 -7.928 1.00 22.43 H new ATOM 0 HG23 ILE A 82 -20.676 6.393 -6.363 1.00 22.43 H new ATOM 0 HD11 ILE A 82 -18.202 8.989 -5.488 1.00 65.31 H new ATOM 0 HD12 ILE A 82 -19.565 7.849 -5.389 1.00 65.31 H new ATOM 0 HD13 ILE A 82 -17.914 7.240 -5.651 1.00 65.31 H new ATOM 1374 N SER A 83 -18.879 3.955 -9.385 1.00 61.22 N ATOM 1375 CA SER A 83 -19.494 2.732 -9.888 1.00 23.23 C ATOM 1376 C SER A 83 -18.523 1.962 -10.778 1.00 52.25 C ATOM 1377 O SER A 83 -18.712 1.877 -11.992 1.00 63.21 O ATOM 1378 CB SER A 83 -20.769 3.060 -10.667 1.00 64.23 C ATOM 1379 OG SER A 83 -21.622 1.931 -10.747 1.00 40.33 O ATOM 0 H SER A 83 -18.254 4.415 -10.046 1.00 61.22 H new ATOM 0 HA SER A 83 -19.751 2.106 -9.034 1.00 23.23 H new ATOM 0 HB2 SER A 83 -21.294 3.883 -10.182 1.00 64.23 H new ATOM 0 HB3 SER A 83 -20.509 3.396 -11.671 1.00 64.23 H new ATOM 0 HG SER A 83 -22.430 2.167 -11.248 1.00 40.33 H new ATOM 1385 N ASP A 84 -17.485 1.404 -10.167 1.00 24.13 N ATOM 1386 CA ASP A 84 -16.484 0.640 -10.903 1.00 2.14 C ATOM 1387 C ASP A 84 -16.695 -0.859 -10.711 1.00 4.53 C ATOM 1388 O ASP A 84 -15.816 -1.560 -10.209 1.00 31.03 O ATOM 1389 CB ASP A 84 -15.077 1.032 -10.449 1.00 22.03 C ATOM 1390 CG ASP A 84 -14.469 2.116 -11.317 1.00 13.20 C ATOM 1391 OD1 ASP A 84 -14.202 1.844 -12.506 1.00 41.13 O ATOM 1392 OD2 ASP A 84 -14.262 3.237 -10.807 1.00 50.14 O ATOM 0 H ASP A 84 -17.314 1.466 -9.163 1.00 24.13 H new ATOM 0 HA ASP A 84 -16.593 0.871 -11.963 1.00 2.14 H new ATOM 0 HB2 ASP A 84 -15.115 1.377 -9.416 1.00 22.03 H new ATOM 0 HB3 ASP A 84 -14.434 0.152 -10.468 1.00 22.03 H new ATOM 1397 N TYR A 85 -17.865 -1.342 -11.112 1.00 63.24 N ATOM 1398 CA TYR A 85 -18.193 -2.757 -10.981 1.00 44.14 C ATOM 1399 C TYR A 85 -18.451 -3.123 -9.523 1.00 72.42 C ATOM 1400 O TYR A 85 -18.973 -2.318 -8.753 1.00 43.41 O ATOM 1401 CB TYR A 85 -17.060 -3.618 -11.542 1.00 60.43 C ATOM 1402 CG TYR A 85 -17.541 -4.864 -12.252 1.00 31.13 C ATOM 1403 CD1 TYR A 85 -18.528 -4.795 -13.227 1.00 44.35 C ATOM 1404 CD2 TYR A 85 -17.008 -6.110 -11.947 1.00 30.55 C ATOM 1405 CE1 TYR A 85 -18.971 -5.930 -13.877 1.00 65.34 C ATOM 1406 CE2 TYR A 85 -17.444 -7.251 -12.592 1.00 61.34 C ATOM 1407 CZ TYR A 85 -18.426 -7.156 -13.557 1.00 24.14 C ATOM 1408 OH TYR A 85 -18.863 -8.290 -14.203 1.00 11.52 O ATOM 0 H TYR A 85 -18.602 -0.775 -11.531 1.00 63.24 H new ATOM 0 HA TYR A 85 -19.102 -2.948 -11.551 1.00 44.14 H new ATOM 0 HB2 TYR A 85 -16.470 -3.020 -12.236 1.00 60.43 H new ATOM 0 HB3 TYR A 85 -16.397 -3.908 -10.727 1.00 60.43 H new ATOM 0 HD1 TYR A 85 -18.956 -3.837 -13.481 1.00 44.35 H new ATOM 0 HD2 TYR A 85 -16.239 -6.188 -11.192 1.00 30.55 H new ATOM 0 HE1 TYR A 85 -19.740 -5.858 -14.632 1.00 65.34 H new ATOM 0 HE2 TYR A 85 -17.019 -8.212 -12.343 1.00 61.34 H new ATOM 0 HH TYR A 85 -18.377 -9.069 -13.861 1.00 11.52 H new ATOM 1418 N GLN A 86 -18.082 -4.345 -9.153 1.00 25.15 N ATOM 1419 CA GLN A 86 -18.273 -4.819 -7.787 1.00 72.31 C ATOM 1420 C GLN A 86 -17.740 -3.806 -6.779 1.00 71.52 C ATOM 1421 O GLN A 86 -18.276 -3.671 -5.680 1.00 21.14 O ATOM 1422 CB GLN A 86 -17.577 -6.167 -7.590 1.00 71.24 C ATOM 1423 CG GLN A 86 -16.062 -6.091 -7.696 1.00 15.34 C ATOM 1424 CD GLN A 86 -15.402 -7.453 -7.611 1.00 52.35 C ATOM 1425 OE1 GLN A 86 -15.812 -8.306 -6.824 1.00 63.43 O ATOM 1426 NE2 GLN A 86 -14.374 -7.664 -8.425 1.00 2.43 N ATOM 0 H GLN A 86 -17.650 -5.024 -9.779 1.00 25.15 H new ATOM 0 HA GLN A 86 -19.343 -4.943 -7.619 1.00 72.31 H new ATOM 0 HB2 GLN A 86 -17.845 -6.565 -6.611 1.00 71.24 H new ATOM 0 HB3 GLN A 86 -17.950 -6.871 -8.334 1.00 71.24 H new ATOM 0 HG2 GLN A 86 -15.791 -5.618 -8.640 1.00 15.34 H new ATOM 0 HG3 GLN A 86 -15.677 -5.455 -6.899 1.00 15.34 H new ATOM 0 HE21 GLN A 86 -14.068 -6.928 -9.061 1.00 2.43 H new ATOM 0 HE22 GLN A 86 -13.891 -8.562 -8.414 1.00 2.43 H new ATOM 1435 N GLN A 87 -16.683 -3.098 -7.162 1.00 65.41 N ATOM 1436 CA GLN A 87 -16.077 -2.099 -6.290 1.00 41.35 C ATOM 1437 C GLN A 87 -17.108 -1.066 -5.848 1.00 51.20 C ATOM 1438 O GLN A 87 -16.994 -0.481 -4.770 1.00 24.01 O ATOM 1439 CB GLN A 87 -14.916 -1.404 -7.005 1.00 72.30 C ATOM 1440 CG GLN A 87 -13.625 -1.397 -6.203 1.00 62.30 C ATOM 1441 CD GLN A 87 -12.501 -0.670 -6.914 1.00 5.35 C ATOM 1442 OE1 GLN A 87 -12.292 0.526 -6.708 1.00 51.30 O ATOM 1443 NE2 GLN A 87 -11.768 -1.390 -7.755 1.00 52.44 N ATOM 0 H GLN A 87 -16.229 -3.197 -8.070 1.00 65.41 H new ATOM 0 HA GLN A 87 -15.697 -2.609 -5.405 1.00 41.35 H new ATOM 0 HB2 GLN A 87 -14.739 -1.900 -7.959 1.00 72.30 H new ATOM 0 HB3 GLN A 87 -15.201 -0.376 -7.228 1.00 72.30 H new ATOM 0 HG2 GLN A 87 -13.804 -0.925 -5.237 1.00 62.30 H new ATOM 0 HG3 GLN A 87 -13.320 -2.424 -6.004 1.00 62.30 H new ATOM 0 HE21 GLN A 87 -11.976 -2.379 -7.895 1.00 52.44 H new ATOM 0 HE22 GLN A 87 -10.996 -0.955 -8.261 1.00 52.44 H new ATOM 1452 N LEU A 88 -18.115 -0.845 -6.687 1.00 25.45 N ATOM 1453 CA LEU A 88 -19.167 0.118 -6.382 1.00 60.12 C ATOM 1454 C LEU A 88 -19.813 -0.189 -5.035 1.00 1.22 C ATOM 1455 O LEU A 88 -20.376 0.696 -4.390 1.00 65.44 O ATOM 1456 CB LEU A 88 -20.229 0.108 -7.483 1.00 45.25 C ATOM 1457 CG LEU A 88 -21.286 -0.992 -7.387 1.00 11.14 C ATOM 1458 CD1 LEU A 88 -22.479 -0.516 -6.572 1.00 5.35 C ATOM 1459 CD2 LEU A 88 -21.728 -1.431 -8.775 1.00 41.31 C ATOM 0 H LEU A 88 -18.225 -1.320 -7.583 1.00 25.45 H new ATOM 0 HA LEU A 88 -18.715 1.108 -6.330 1.00 60.12 H new ATOM 0 HB2 LEU A 88 -20.736 1.073 -7.479 1.00 45.25 H new ATOM 0 HB3 LEU A 88 -19.725 0.017 -8.445 1.00 45.25 H new ATOM 0 HG LEU A 88 -20.844 -1.850 -6.880 1.00 11.14 H new ATOM 0 HD11 LEU A 88 -23.221 -1.312 -6.514 1.00 5.35 H new ATOM 0 HD12 LEU A 88 -22.151 -0.252 -5.567 1.00 5.35 H new ATOM 0 HD13 LEU A 88 -22.921 0.358 -7.050 1.00 5.35 H new ATOM 0 HD21 LEU A 88 -22.481 -2.215 -8.686 1.00 41.31 H new ATOM 0 HD22 LEU A 88 -22.151 -0.580 -9.308 1.00 41.31 H new ATOM 0 HD23 LEU A 88 -20.869 -1.814 -9.326 1.00 41.31 H new ATOM 1471 N GLU A 89 -19.725 -1.447 -4.615 1.00 74.21 N ATOM 1472 CA GLU A 89 -20.301 -1.869 -3.343 1.00 65.23 C ATOM 1473 C GLU A 89 -19.538 -1.257 -2.172 1.00 32.14 C ATOM 1474 O GLU A 89 -20.138 -0.737 -1.231 1.00 30.12 O ATOM 1475 CB GLU A 89 -20.287 -3.395 -3.233 1.00 62.35 C ATOM 1476 CG GLU A 89 -21.589 -3.980 -2.712 1.00 41.24 C ATOM 1477 CD GLU A 89 -21.616 -5.494 -2.779 1.00 75.52 C ATOM 1478 OE1 GLU A 89 -20.528 -6.107 -2.798 1.00 10.31 O ATOM 1479 OE2 GLU A 89 -22.725 -6.067 -2.813 1.00 34.41 O ATOM 0 H GLU A 89 -19.261 -2.191 -5.136 1.00 74.21 H new ATOM 0 HA GLU A 89 -21.333 -1.519 -3.306 1.00 65.23 H new ATOM 0 HB2 GLU A 89 -20.075 -3.820 -4.214 1.00 62.35 H new ATOM 0 HB3 GLU A 89 -19.474 -3.696 -2.573 1.00 62.35 H new ATOM 0 HG2 GLU A 89 -21.738 -3.663 -1.680 1.00 41.24 H new ATOM 0 HG3 GLU A 89 -22.421 -3.579 -3.292 1.00 41.24 H new ATOM 1486 N SER A 90 -18.212 -1.324 -2.236 1.00 53.24 N ATOM 1487 CA SER A 90 -17.367 -0.781 -1.180 1.00 11.45 C ATOM 1488 C SER A 90 -17.436 0.743 -1.158 1.00 51.41 C ATOM 1489 O SER A 90 -17.534 1.356 -0.094 1.00 43.15 O ATOM 1490 CB SER A 90 -15.919 -1.234 -1.372 1.00 23.20 C ATOM 1491 OG SER A 90 -15.228 -0.372 -2.259 1.00 41.14 O ATOM 0 H SER A 90 -17.700 -1.749 -3.009 1.00 53.24 H new ATOM 0 HA SER A 90 -17.735 -1.158 -0.226 1.00 11.45 H new ATOM 0 HB2 SER A 90 -15.410 -1.253 -0.408 1.00 23.20 H new ATOM 0 HB3 SER A 90 -15.902 -2.252 -1.762 1.00 23.20 H new ATOM 0 HG SER A 90 -15.681 -0.366 -3.128 1.00 41.14 H new ATOM 1497 N ILE A 91 -17.385 1.348 -2.340 1.00 43.20 N ATOM 1498 CA ILE A 91 -17.442 2.800 -2.458 1.00 34.12 C ATOM 1499 C ILE A 91 -18.795 3.335 -2.002 1.00 14.13 C ATOM 1500 O ILE A 91 -18.872 4.348 -1.306 1.00 4.11 O ATOM 1501 CB ILE A 91 -17.183 3.258 -3.905 1.00 52.02 C ATOM 1502 CG1 ILE A 91 -15.822 2.752 -4.388 1.00 33.35 C ATOM 1503 CG2 ILE A 91 -17.255 4.775 -4.002 1.00 23.34 C ATOM 1504 CD1 ILE A 91 -15.866 2.116 -5.759 1.00 44.15 C ATOM 0 H ILE A 91 -17.304 0.855 -3.229 1.00 43.20 H new ATOM 0 HA ILE A 91 -16.659 3.200 -1.814 1.00 34.12 H new ATOM 0 HB ILE A 91 -17.955 2.835 -4.547 1.00 52.02 H new ATOM 0 HG12 ILE A 91 -15.119 3.585 -4.405 1.00 33.35 H new ATOM 0 HG13 ILE A 91 -15.438 2.026 -3.672 1.00 33.35 H new ATOM 0 HG21 ILE A 91 -17.070 5.083 -5.031 1.00 23.34 H new ATOM 0 HG22 ILE A 91 -18.245 5.113 -3.695 1.00 23.34 H new ATOM 0 HG23 ILE A 91 -16.502 5.217 -3.350 1.00 23.34 H new ATOM 0 HD11 ILE A 91 -14.867 1.781 -6.037 1.00 44.15 H new ATOM 0 HD12 ILE A 91 -16.544 1.262 -5.743 1.00 44.15 H new ATOM 0 HD13 ILE A 91 -16.219 2.846 -6.487 1.00 44.15 H new ATOM 1516 N TYR A 92 -19.861 2.647 -2.397 1.00 0.34 N ATOM 1517 CA TYR A 92 -21.212 3.054 -2.029 1.00 32.51 C ATOM 1518 C TYR A 92 -21.438 2.900 -0.528 1.00 22.11 C ATOM 1519 O TYR A 92 -22.090 3.733 0.102 1.00 22.13 O ATOM 1520 CB TYR A 92 -22.243 2.226 -2.798 1.00 72.12 C ATOM 1521 CG TYR A 92 -23.668 2.687 -2.589 1.00 21.24 C ATOM 1522 CD1 TYR A 92 -24.112 3.896 -3.109 1.00 4.22 C ATOM 1523 CD2 TYR A 92 -24.571 1.912 -1.871 1.00 22.22 C ATOM 1524 CE1 TYR A 92 -25.412 4.321 -2.919 1.00 11.30 C ATOM 1525 CE2 TYR A 92 -25.874 2.328 -1.677 1.00 43.43 C ATOM 1526 CZ TYR A 92 -26.289 3.534 -2.203 1.00 34.02 C ATOM 1527 OH TYR A 92 -27.586 3.953 -2.013 1.00 12.33 O ATOM 0 H TYR A 92 -19.816 1.805 -2.972 1.00 0.34 H new ATOM 0 HA TYR A 92 -21.331 4.106 -2.290 1.00 32.51 H new ATOM 0 HB2 TYR A 92 -22.009 2.267 -3.862 1.00 72.12 H new ATOM 0 HB3 TYR A 92 -22.159 1.183 -2.493 1.00 72.12 H new ATOM 0 HD1 TYR A 92 -23.429 4.514 -3.672 1.00 4.22 H new ATOM 0 HD2 TYR A 92 -24.248 0.968 -1.457 1.00 22.22 H new ATOM 0 HE1 TYR A 92 -25.740 5.265 -3.329 1.00 11.30 H new ATOM 0 HE2 TYR A 92 -26.563 1.713 -1.117 1.00 43.43 H new ATOM 0 HH TYR A 92 -28.073 3.283 -1.489 1.00 12.33 H new ATOM 1537 N PHE A 93 -20.893 1.829 0.039 1.00 31.50 N ATOM 1538 CA PHE A 93 -21.034 1.564 1.466 1.00 32.31 C ATOM 1539 C PHE A 93 -20.322 2.632 2.291 1.00 41.05 C ATOM 1540 O PHE A 93 -20.901 3.211 3.210 1.00 74.33 O ATOM 1541 CB PHE A 93 -20.473 0.182 1.808 1.00 74.32 C ATOM 1542 CG PHE A 93 -20.910 -0.327 3.152 1.00 75.13 C ATOM 1543 CD1 PHE A 93 -22.248 -0.578 3.410 1.00 14.05 C ATOM 1544 CD2 PHE A 93 -19.984 -0.555 4.156 1.00 44.11 C ATOM 1545 CE1 PHE A 93 -22.653 -1.045 4.647 1.00 72.45 C ATOM 1546 CE2 PHE A 93 -20.382 -1.023 5.394 1.00 54.31 C ATOM 1547 CZ PHE A 93 -21.719 -1.269 5.639 1.00 30.20 C ATOM 0 H PHE A 93 -20.350 1.130 -0.468 1.00 31.50 H new ATOM 0 HA PHE A 93 -22.096 1.589 1.711 1.00 32.31 H new ATOM 0 HB2 PHE A 93 -20.784 -0.527 1.041 1.00 74.32 H new ATOM 0 HB3 PHE A 93 -19.384 0.224 1.781 1.00 74.32 H new ATOM 0 HD1 PHE A 93 -22.982 -0.407 2.637 1.00 14.05 H new ATOM 0 HD2 PHE A 93 -18.937 -0.365 3.969 1.00 44.11 H new ATOM 0 HE1 PHE A 93 -23.699 -1.234 4.837 1.00 72.45 H new ATOM 0 HE2 PHE A 93 -19.649 -1.196 6.168 1.00 54.31 H new ATOM 0 HZ PHE A 93 -22.033 -1.636 6.605 1.00 30.20 H new ATOM 1557 N ARG A 94 -19.062 2.887 1.955 1.00 44.42 N ATOM 1558 CA ARG A 94 -18.269 3.884 2.664 1.00 1.24 C ATOM 1559 C ARG A 94 -18.858 5.280 2.480 1.00 74.52 C ATOM 1560 O ARG A 94 -18.812 6.109 3.389 1.00 71.30 O ATOM 1561 CB ARG A 94 -16.821 3.861 2.171 1.00 52.22 C ATOM 1562 CG ARG A 94 -15.930 2.901 2.941 1.00 32.24 C ATOM 1563 CD ARG A 94 -15.880 1.534 2.278 1.00 65.44 C ATOM 1564 NE ARG A 94 -14.866 0.671 2.878 1.00 22.31 N ATOM 1565 CZ ARG A 94 -14.859 -0.652 2.754 1.00 50.22 C ATOM 1566 NH1 ARG A 94 -15.807 -1.260 2.054 1.00 62.00 N ATOM 1567 NH2 ARG A 94 -13.902 -1.369 3.330 1.00 55.32 N ATOM 0 H ARG A 94 -18.568 2.417 1.196 1.00 44.42 H new ATOM 0 HA ARG A 94 -18.288 3.637 3.726 1.00 1.24 H new ATOM 0 HB2 ARG A 94 -16.810 3.587 1.116 1.00 52.22 H new ATOM 0 HB3 ARG A 94 -16.406 4.866 2.243 1.00 52.22 H new ATOM 0 HG2 ARG A 94 -14.922 3.312 3.007 1.00 32.24 H new ATOM 0 HG3 ARG A 94 -16.300 2.798 3.961 1.00 32.24 H new ATOM 0 HD2 ARG A 94 -16.856 1.056 2.359 1.00 65.44 H new ATOM 0 HD3 ARG A 94 -15.671 1.654 1.215 1.00 65.44 H new ATOM 0 HE ARG A 94 -14.122 1.108 3.422 1.00 22.31 H new ATOM 0 HH11 ARG A 94 -16.544 -0.712 1.609 1.00 62.00 H new ATOM 0 HH12 ARG A 94 -15.800 -2.276 1.960 1.00 62.00 H new ATOM 0 HH21 ARG A 94 -13.171 -0.905 3.869 1.00 55.32 H new ATOM 0 HH22 ARG A 94 -13.898 -2.384 3.234 1.00 55.32 H new ATOM 1581 N ILE A 95 -19.411 5.531 1.298 1.00 32.00 N ATOM 1582 CA ILE A 95 -20.010 6.825 0.995 1.00 2.01 C ATOM 1583 C ILE A 95 -21.380 6.963 1.649 1.00 55.31 C ATOM 1584 O ILE A 95 -21.838 8.072 1.930 1.00 44.01 O ATOM 1585 CB ILE A 95 -20.154 7.037 -0.524 1.00 32.24 C ATOM 1586 CG1 ILE A 95 -18.782 7.263 -1.162 1.00 20.42 C ATOM 1587 CG2 ILE A 95 -21.077 8.212 -0.809 1.00 50.10 C ATOM 1588 CD1 ILE A 95 -18.816 7.291 -2.674 1.00 12.22 C ATOM 0 H ILE A 95 -19.457 4.856 0.535 1.00 32.00 H new ATOM 0 HA ILE A 95 -19.340 7.585 1.397 1.00 2.01 H new ATOM 0 HB ILE A 95 -20.593 6.140 -0.961 1.00 32.24 H new ATOM 0 HG12 ILE A 95 -18.372 8.205 -0.798 1.00 20.42 H new ATOM 0 HG13 ILE A 95 -18.104 6.474 -0.836 1.00 20.42 H new ATOM 0 HG21 ILE A 95 -21.169 8.349 -1.886 1.00 50.10 H new ATOM 0 HG22 ILE A 95 -22.061 8.014 -0.383 1.00 50.10 H new ATOM 0 HG23 ILE A 95 -20.664 9.116 -0.362 1.00 50.10 H new ATOM 0 HD11 ILE A 95 -17.809 7.455 -3.058 1.00 12.22 H new ATOM 0 HD12 ILE A 95 -19.196 6.340 -3.047 1.00 12.22 H new ATOM 0 HD13 ILE A 95 -19.468 8.098 -3.008 1.00 12.22 H new ATOM 1600 N LEU A 96 -22.031 5.831 1.890 1.00 34.33 N ATOM 1601 CA LEU A 96 -23.350 5.824 2.514 1.00 54.34 C ATOM 1602 C LEU A 96 -23.235 5.740 4.032 1.00 4.22 C ATOM 1603 O LEU A 96 -24.221 5.907 4.751 1.00 2.30 O ATOM 1604 CB LEU A 96 -24.179 4.651 1.988 1.00 22.31 C ATOM 1605 CG LEU A 96 -25.651 4.631 2.400 1.00 73.21 C ATOM 1606 CD1 LEU A 96 -26.547 4.844 1.189 1.00 20.15 C ATOM 1607 CD2 LEU A 96 -25.993 3.321 3.095 1.00 71.23 C ATOM 0 H LEU A 96 -21.667 4.905 1.663 1.00 34.33 H new ATOM 0 HA LEU A 96 -23.850 6.758 2.258 1.00 54.34 H new ATOM 0 HB2 LEU A 96 -24.127 4.655 0.899 1.00 22.31 H new ATOM 0 HB3 LEU A 96 -23.715 3.724 2.326 1.00 22.31 H new ATOM 0 HG LEU A 96 -25.823 5.447 3.102 1.00 73.21 H new ATOM 0 HD11 LEU A 96 -27.591 4.827 1.501 1.00 20.15 H new ATOM 0 HD12 LEU A 96 -26.320 5.808 0.734 1.00 20.15 H new ATOM 0 HD13 LEU A 96 -26.372 4.050 0.463 1.00 20.15 H new ATOM 0 HD21 LEU A 96 -27.045 3.325 3.381 1.00 71.23 H new ATOM 0 HD22 LEU A 96 -25.804 2.489 2.416 1.00 71.23 H new ATOM 0 HD23 LEU A 96 -25.375 3.210 3.986 1.00 71.23 H new ATOM 1619 N LEU A 97 -22.024 5.482 4.514 1.00 0.35 N ATOM 1620 CA LEU A 97 -21.778 5.378 5.949 1.00 40.43 C ATOM 1621 C LEU A 97 -22.483 6.500 6.705 1.00 43.12 C ATOM 1622 O LEU A 97 -22.824 7.541 6.143 1.00 1.55 O ATOM 1623 CB LEU A 97 -20.276 5.422 6.233 1.00 65.22 C ATOM 1624 CG LEU A 97 -19.527 4.096 6.090 1.00 1.24 C ATOM 1625 CD1 LEU A 97 -18.028 4.311 6.234 1.00 52.43 C ATOM 1626 CD2 LEU A 97 -20.024 3.090 7.118 1.00 22.11 C ATOM 0 H LEU A 97 -21.198 5.341 3.933 1.00 0.35 H new ATOM 0 HA LEU A 97 -22.179 4.425 6.293 1.00 40.43 H new ATOM 0 HB2 LEU A 97 -19.820 6.148 5.560 1.00 65.22 H new ATOM 0 HB3 LEU A 97 -20.129 5.792 7.248 1.00 65.22 H new ATOM 0 HG LEU A 97 -19.722 3.696 5.095 1.00 1.24 H new ATOM 0 HD11 LEU A 97 -17.512 3.357 6.129 1.00 52.43 H new ATOM 0 HD12 LEU A 97 -17.683 4.997 5.460 1.00 52.43 H new ATOM 0 HD13 LEU A 97 -17.814 4.734 7.216 1.00 52.43 H new ATOM 0 HD21 LEU A 97 -19.480 2.152 7.002 1.00 22.11 H new ATOM 0 HD22 LEU A 97 -19.859 3.483 8.121 1.00 22.11 H new ATOM 0 HD23 LEU A 97 -21.089 2.913 6.968 1.00 22.11 H new ATOM 1638 N PRO A 98 -22.705 6.286 8.010 1.00 22.20 N ATOM 1639 CA PRO A 98 -23.368 7.269 8.872 1.00 72.40 C ATOM 1640 C PRO A 98 -22.503 8.499 9.121 1.00 24.01 C ATOM 1641 O PRO A 98 -23.002 9.624 9.160 1.00 31.34 O ATOM 1642 CB PRO A 98 -23.594 6.501 10.177 1.00 72.32 C ATOM 1643 CG PRO A 98 -22.541 5.448 10.184 1.00 64.40 C ATOM 1644 CD PRO A 98 -22.325 5.068 8.745 1.00 30.41 C ATOM 0 HA PRO A 98 -24.284 7.653 8.423 1.00 72.40 H new ATOM 0 HB2 PRO A 98 -23.504 7.157 11.043 1.00 72.32 H new ATOM 0 HB3 PRO A 98 -24.592 6.063 10.211 1.00 72.32 H new ATOM 0 HG2 PRO A 98 -21.620 5.821 10.632 1.00 64.40 H new ATOM 0 HG3 PRO A 98 -22.855 4.586 10.772 1.00 64.40 H new ATOM 0 HD2 PRO A 98 -21.288 4.790 8.554 1.00 30.41 H new ATOM 0 HD3 PRO A 98 -22.941 4.216 8.457 1.00 30.41 H new ATOM 1652 N TYR A 99 -21.203 8.278 9.288 1.00 15.52 N ATOM 1653 CA TYR A 99 -20.269 9.370 9.535 1.00 24.25 C ATOM 1654 C TYR A 99 -20.068 10.211 8.279 1.00 74.15 C ATOM 1655 O TYR A 99 -20.053 11.440 8.338 1.00 72.15 O ATOM 1656 CB TYR A 99 -18.924 8.819 10.014 1.00 71.04 C ATOM 1657 CG TYR A 99 -18.826 8.681 11.516 1.00 30.10 C ATOM 1658 CD1 TYR A 99 -19.669 7.822 12.211 1.00 63.33 C ATOM 1659 CD2 TYR A 99 -17.892 9.410 12.241 1.00 2.11 C ATOM 1660 CE1 TYR A 99 -19.583 7.693 13.584 1.00 73.35 C ATOM 1661 CE2 TYR A 99 -17.798 9.286 13.614 1.00 53.32 C ATOM 1662 CZ TYR A 99 -18.646 8.427 14.280 1.00 33.44 C ATOM 1663 OH TYR A 99 -18.557 8.302 15.648 1.00 73.41 O ATOM 0 H TYR A 99 -20.773 7.354 9.257 1.00 15.52 H new ATOM 0 HA TYR A 99 -20.692 10.007 10.312 1.00 24.25 H new ATOM 0 HB2 TYR A 99 -18.757 7.844 9.556 1.00 71.04 H new ATOM 0 HB3 TYR A 99 -18.127 9.476 9.665 1.00 71.04 H new ATOM 0 HD1 TYR A 99 -20.404 7.246 11.669 1.00 63.33 H new ATOM 0 HD2 TYR A 99 -17.228 10.085 11.723 1.00 2.11 H new ATOM 0 HE1 TYR A 99 -20.246 7.021 14.109 1.00 73.35 H new ATOM 0 HE2 TYR A 99 -17.065 9.859 14.162 1.00 53.32 H new ATOM 0 HH TYR A 99 -17.846 8.886 15.984 1.00 73.41 H new ATOM 1673 N GLU A 100 -19.916 9.538 7.142 1.00 3.12 N ATOM 1674 CA GLU A 100 -19.716 10.223 5.870 1.00 12.25 C ATOM 1675 C GLU A 100 -20.953 11.032 5.488 1.00 24.14 C ATOM 1676 O GLU A 100 -20.854 12.207 5.134 1.00 23.15 O ATOM 1677 CB GLU A 100 -19.393 9.214 4.767 1.00 23.42 C ATOM 1678 CG GLU A 100 -19.360 9.822 3.375 1.00 11.55 C ATOM 1679 CD GLU A 100 -18.038 9.593 2.669 1.00 11.11 C ATOM 1680 OE1 GLU A 100 -16.997 9.550 3.357 1.00 41.11 O ATOM 1681 OE2 GLU A 100 -18.045 9.456 1.428 1.00 54.23 O ATOM 0 H GLU A 100 -19.928 8.520 7.076 1.00 3.12 H new ATOM 0 HA GLU A 100 -18.875 10.908 5.983 1.00 12.25 H new ATOM 0 HB2 GLU A 100 -18.426 8.756 4.977 1.00 23.42 H new ATOM 0 HB3 GLU A 100 -20.135 8.416 4.788 1.00 23.42 H new ATOM 0 HG2 GLU A 100 -20.165 9.395 2.777 1.00 11.55 H new ATOM 0 HG3 GLU A 100 -19.549 10.893 3.446 1.00 11.55 H new ATOM 1688 N ARG A 101 -22.116 10.394 5.562 1.00 20.41 N ATOM 1689 CA ARG A 101 -23.372 11.052 5.222 1.00 4.15 C ATOM 1690 C ARG A 101 -23.689 12.164 6.218 1.00 32.33 C ATOM 1691 O ARG A 101 -24.293 13.176 5.863 1.00 53.32 O ATOM 1692 CB ARG A 101 -24.514 10.035 5.195 1.00 12.33 C ATOM 1693 CG ARG A 101 -24.994 9.621 6.577 1.00 62.02 C ATOM 1694 CD ARG A 101 -26.148 10.491 7.050 1.00 71.42 C ATOM 1695 NE ARG A 101 -27.358 9.710 7.292 1.00 31.43 N ATOM 1696 CZ ARG A 101 -28.378 10.143 8.025 1.00 71.03 C ATOM 1697 NH1 ARG A 101 -28.334 11.345 8.583 1.00 73.12 N ATOM 1698 NH2 ARG A 101 -29.445 9.374 8.199 1.00 31.25 N ATOM 0 H ARG A 101 -22.215 9.422 5.854 1.00 20.41 H new ATOM 0 HA ARG A 101 -23.266 11.494 4.231 1.00 4.15 H new ATOM 0 HB2 ARG A 101 -25.352 10.457 4.640 1.00 12.33 H new ATOM 0 HB3 ARG A 101 -24.187 9.148 4.653 1.00 12.33 H new ATOM 0 HG2 ARG A 101 -25.308 8.577 6.557 1.00 62.02 H new ATOM 0 HG3 ARG A 101 -24.169 9.692 7.286 1.00 62.02 H new ATOM 0 HD2 ARG A 101 -25.861 11.008 7.966 1.00 71.42 H new ATOM 0 HD3 ARG A 101 -26.354 11.257 6.303 1.00 71.42 H new ATOM 0 HE ARG A 101 -27.424 8.781 6.875 1.00 31.43 H new ATOM 0 HH11 ARG A 101 -27.516 11.939 8.450 1.00 73.12 H new ATOM 0 HH12 ARG A 101 -29.118 11.675 9.145 1.00 73.12 H new ATOM 0 HH21 ARG A 101 -29.483 8.449 7.770 1.00 31.25 H new ATOM 0 HH22 ARG A 101 -30.228 9.707 8.762 1.00 31.25 H new ATOM 1712 N HIS A 102 -23.279 11.968 7.467 1.00 25.53 N ATOM 1713 CA HIS A 102 -23.519 12.953 8.515 1.00 52.40 C ATOM 1714 C HIS A 102 -22.687 14.210 8.280 1.00 4.11 C ATOM 1715 O HIS A 102 -23.171 15.328 8.453 1.00 41.23 O ATOM 1716 CB HIS A 102 -23.194 12.361 9.886 1.00 0.05 C ATOM 1717 CG HIS A 102 -23.246 13.362 10.999 1.00 14.21 C ATOM 1718 ND1 HIS A 102 -24.164 14.391 11.043 1.00 24.13 N ATOM 1719 CD2 HIS A 102 -22.489 13.487 12.114 1.00 50.30 C ATOM 1720 CE1 HIS A 102 -23.967 15.106 12.136 1.00 11.43 C ATOM 1721 NE2 HIS A 102 -22.957 14.579 12.804 1.00 62.33 N ATOM 0 H HIS A 102 -22.779 11.135 7.778 1.00 25.53 H new ATOM 0 HA HIS A 102 -24.574 13.226 8.487 1.00 52.40 H new ATOM 0 HB2 HIS A 102 -23.896 11.555 10.100 1.00 0.05 H new ATOM 0 HB3 HIS A 102 -22.199 11.917 9.854 1.00 0.05 H new ATOM 0 HD2 HIS A 102 -21.670 12.847 12.407 1.00 50.30 H new ATOM 0 HE1 HIS A 102 -24.536 15.975 12.433 1.00 11.43 H new ATOM 0 HE2 HIS A 102 -22.585 14.926 13.688 1.00 62.33 H new ATOM 1729 N MET A 103 -21.432 14.018 7.886 1.00 21.23 N ATOM 1730 CA MET A 103 -20.533 15.136 7.628 1.00 44.24 C ATOM 1731 C MET A 103 -21.086 16.035 6.527 1.00 51.52 C ATOM 1732 O MET A 103 -21.068 17.261 6.646 1.00 22.12 O ATOM 1733 CB MET A 103 -19.146 14.623 7.234 1.00 11.11 C ATOM 1734 CG MET A 103 -18.060 14.978 8.236 1.00 4.40 C ATOM 1735 SD MET A 103 -18.411 14.356 9.891 1.00 24.43 S ATOM 1736 CE MET A 103 -17.650 15.625 10.899 1.00 5.53 C ATOM 0 H MET A 103 -21.015 13.099 7.739 1.00 21.23 H new ATOM 0 HA MET A 103 -20.450 15.721 8.544 1.00 44.24 H new ATOM 0 HB2 MET A 103 -19.186 13.539 7.123 1.00 11.11 H new ATOM 0 HB3 MET A 103 -18.879 15.033 6.260 1.00 11.11 H new ATOM 0 HG2 MET A 103 -17.108 14.571 7.894 1.00 4.40 H new ATOM 0 HG3 MET A 103 -17.948 16.061 8.276 1.00 4.40 H new ATOM 0 HE1 MET A 103 -17.783 15.381 11.953 1.00 5.53 H new ATOM 0 HE2 MET A 103 -16.585 15.681 10.671 1.00 5.53 H new ATOM 0 HE3 MET A 103 -18.117 16.587 10.687 1.00 5.53 H new ATOM 1746 N ILE A 104 -21.577 15.420 5.457 1.00 62.53 N ATOM 1747 CA ILE A 104 -22.136 16.165 4.336 1.00 42.21 C ATOM 1748 C ILE A 104 -23.592 16.538 4.595 1.00 4.01 C ATOM 1749 O ILE A 104 -24.162 17.377 3.898 1.00 61.34 O ATOM 1750 CB ILE A 104 -22.049 15.361 3.025 1.00 31.14 C ATOM 1751 CG1 ILE A 104 -22.866 14.072 3.138 1.00 65.33 C ATOM 1752 CG2 ILE A 104 -20.598 15.048 2.691 1.00 53.21 C ATOM 1753 CD1 ILE A 104 -24.297 14.220 2.671 1.00 2.45 C ATOM 0 H ILE A 104 -21.599 14.407 5.343 1.00 62.53 H new ATOM 0 HA ILE A 104 -21.543 17.074 4.235 1.00 42.21 H new ATOM 0 HB ILE A 104 -22.465 15.963 2.217 1.00 31.14 H new ATOM 0 HG12 ILE A 104 -22.380 13.291 2.553 1.00 65.33 H new ATOM 0 HG13 ILE A 104 -22.864 13.740 4.176 1.00 65.33 H new ATOM 0 HG21 ILE A 104 -20.553 14.480 1.762 1.00 53.21 H new ATOM 0 HG22 ILE A 104 -20.043 15.979 2.574 1.00 53.21 H new ATOM 0 HG23 ILE A 104 -20.157 14.461 3.497 1.00 53.21 H new ATOM 0 HD11 ILE A 104 -24.816 13.267 2.780 1.00 2.45 H new ATOM 0 HD12 ILE A 104 -24.799 14.978 3.272 1.00 2.45 H new ATOM 0 HD13 ILE A 104 -24.309 14.522 1.624 1.00 2.45 H new ATOM 1765 N SER A 105 -24.187 15.910 5.604 1.00 1.12 N ATOM 1766 CA SER A 105 -25.577 16.174 5.955 1.00 14.21 C ATOM 1767 C SER A 105 -25.738 17.584 6.516 1.00 62.00 C ATOM 1768 O SER A 105 -26.788 18.207 6.365 1.00 51.13 O ATOM 1769 CB SER A 105 -26.072 15.148 6.976 1.00 24.41 C ATOM 1770 OG SER A 105 -27.273 15.578 7.591 1.00 15.02 O ATOM 0 H SER A 105 -23.728 15.215 6.193 1.00 1.12 H new ATOM 0 HA SER A 105 -26.176 16.092 5.048 1.00 14.21 H new ATOM 0 HB2 SER A 105 -26.235 14.190 6.483 1.00 24.41 H new ATOM 0 HB3 SER A 105 -25.307 14.989 7.736 1.00 24.41 H new ATOM 0 HG SER A 105 -27.569 14.904 8.238 1.00 15.02 H new ATOM 1776 N GLN A 106 -24.688 18.079 7.164 1.00 52.22 N ATOM 1777 CA GLN A 106 -24.712 19.415 7.748 1.00 34.13 C ATOM 1778 C GLN A 106 -25.069 20.462 6.698 1.00 35.05 C ATOM 1779 O GLN A 106 -25.809 21.405 6.977 1.00 42.55 O ATOM 1780 CB GLN A 106 -23.357 19.745 8.375 1.00 45.14 C ATOM 1781 CG GLN A 106 -22.957 18.799 9.495 1.00 35.15 C ATOM 1782 CD GLN A 106 -21.478 18.868 9.819 1.00 50.32 C ATOM 1783 OE1 GLN A 106 -20.653 18.256 9.140 1.00 30.11 O ATOM 1784 NE2 GLN A 106 -21.134 19.617 10.860 1.00 21.12 N ATOM 0 H GLN A 106 -23.811 17.575 7.298 1.00 52.22 H new ATOM 0 HA GLN A 106 -25.477 19.431 8.525 1.00 34.13 H new ATOM 0 HB2 GLN A 106 -22.592 19.720 7.599 1.00 45.14 H new ATOM 0 HB3 GLN A 106 -23.384 20.763 8.763 1.00 45.14 H new ATOM 0 HG2 GLN A 106 -23.532 19.038 10.390 1.00 35.15 H new ATOM 0 HG3 GLN A 106 -23.216 17.778 9.213 1.00 35.15 H new ATOM 0 HE21 GLN A 106 -21.851 20.107 11.395 1.00 21.12 H new ATOM 0 HE22 GLN A 106 -20.153 19.702 11.125 1.00 21.12 H new ATOM 1793 N GLU A 107 -24.539 20.288 5.492 1.00 3.40 N ATOM 1794 CA GLU A 107 -24.801 21.220 4.401 1.00 13.05 C ATOM 1795 C GLU A 107 -25.635 20.557 3.308 1.00 2.25 C ATOM 1796 O GLU A 107 -25.618 20.984 2.155 1.00 41.22 O ATOM 1797 CB GLU A 107 -23.486 21.735 3.813 1.00 0.24 C ATOM 1798 CG GLU A 107 -23.591 23.127 3.214 1.00 53.33 C ATOM 1799 CD GLU A 107 -23.565 23.113 1.698 1.00 70.04 C ATOM 1800 OE1 GLU A 107 -22.536 22.697 1.125 1.00 34.54 O ATOM 1801 OE2 GLU A 107 -24.574 23.518 1.084 1.00 53.34 O ATOM 0 H GLU A 107 -23.926 19.511 5.245 1.00 3.40 H new ATOM 0 HA GLU A 107 -25.364 22.062 4.804 1.00 13.05 H new ATOM 0 HB2 GLU A 107 -22.726 21.741 4.594 1.00 0.24 H new ATOM 0 HB3 GLU A 107 -23.146 21.042 3.043 1.00 0.24 H new ATOM 0 HG2 GLU A 107 -24.515 23.596 3.554 1.00 53.33 H new ATOM 0 HG3 GLU A 107 -22.768 23.740 3.582 1.00 53.33 H new ATOM 1808 N GLY A 108 -26.364 19.509 3.681 1.00 5.43 N ATOM 1809 CA GLY A 108 -27.193 18.803 2.722 1.00 2.51 C ATOM 1810 C GLY A 108 -28.171 17.856 3.388 1.00 61.12 C ATOM 1811 O GLY A 108 -28.309 16.704 2.974 1.00 2.41 O ATOM 0 H GLY A 108 -26.395 19.137 4.630 1.00 5.43 H new ATOM 0 HA2 GLY A 108 -27.744 19.526 2.121 1.00 2.51 H new ATOM 0 HA3 GLY A 108 -26.555 18.241 2.039 1.00 2.51 H new ATOM 1815 N ILE A 109 -28.850 18.340 4.422 1.00 30.12 N ATOM 1816 CA ILE A 109 -29.819 17.527 5.146 1.00 15.35 C ATOM 1817 C ILE A 109 -30.902 16.999 4.211 1.00 22.12 C ATOM 1818 O ILE A 109 -31.539 15.983 4.491 1.00 3.24 O ATOM 1819 CB ILE A 109 -30.484 18.325 6.284 1.00 33.42 C ATOM 1820 CG1 ILE A 109 -30.996 19.669 5.763 1.00 44.11 C ATOM 1821 CG2 ILE A 109 -29.504 18.532 7.429 1.00 44.34 C ATOM 1822 CD1 ILE A 109 -32.183 20.203 6.533 1.00 51.54 C ATOM 0 H ILE A 109 -28.747 19.291 4.777 1.00 30.12 H new ATOM 0 HA ILE A 109 -29.270 16.688 5.573 1.00 15.35 H new ATOM 0 HB ILE A 109 -31.334 17.755 6.659 1.00 33.42 H new ATOM 0 HG12 ILE A 109 -30.187 20.398 5.807 1.00 44.11 H new ATOM 0 HG13 ILE A 109 -31.272 19.561 4.714 1.00 44.11 H new ATOM 0 HG21 ILE A 109 -29.989 19.097 8.225 1.00 44.34 H new ATOM 0 HG22 ILE A 109 -29.185 17.564 7.814 1.00 44.34 H new ATOM 0 HG23 ILE A 109 -28.635 19.084 7.069 1.00 44.34 H new ATOM 0 HD11 ILE A 109 -32.492 21.158 6.109 1.00 51.54 H new ATOM 0 HD12 ILE A 109 -33.008 19.493 6.468 1.00 51.54 H new ATOM 0 HD13 ILE A 109 -31.906 20.343 7.578 1.00 51.54 H new ATOM 1834 N LYS A 110 -31.104 17.694 3.097 1.00 12.01 N ATOM 1835 CA LYS A 110 -32.107 17.295 2.117 1.00 31.50 C ATOM 1836 C LYS A 110 -31.847 15.876 1.620 1.00 51.25 C ATOM 1837 O LYS A 110 -32.768 15.180 1.195 1.00 72.32 O ATOM 1838 CB LYS A 110 -32.112 18.268 0.936 1.00 21.20 C ATOM 1839 CG LYS A 110 -32.259 19.723 1.347 1.00 25.53 C ATOM 1840 CD LYS A 110 -33.550 19.958 2.113 1.00 41.23 C ATOM 1841 CE LYS A 110 -34.213 21.263 1.698 1.00 33.41 C ATOM 1842 NZ LYS A 110 -35.342 21.035 0.754 1.00 51.22 N ATOM 0 H LYS A 110 -30.586 18.537 2.850 1.00 12.01 H new ATOM 0 HA LYS A 110 -33.083 17.318 2.602 1.00 31.50 H new ATOM 0 HB2 LYS A 110 -31.185 18.150 0.375 1.00 21.20 H new ATOM 0 HB3 LYS A 110 -32.928 18.005 0.263 1.00 21.20 H new ATOM 0 HG2 LYS A 110 -31.410 20.015 1.965 1.00 25.53 H new ATOM 0 HG3 LYS A 110 -32.241 20.356 0.460 1.00 25.53 H new ATOM 0 HD2 LYS A 110 -34.235 19.128 1.937 1.00 41.23 H new ATOM 0 HD3 LYS A 110 -33.341 19.978 3.183 1.00 41.23 H new ATOM 0 HE2 LYS A 110 -34.579 21.782 2.584 1.00 33.41 H new ATOM 0 HE3 LYS A 110 -33.474 21.913 1.230 1.00 33.41 H new ATOM 0 HZ1 LYS A 110 -35.768 21.948 0.495 1.00 51.22 H new ATOM 0 HZ2 LYS A 110 -34.988 20.562 -0.102 1.00 51.22 H new ATOM 0 HZ3 LYS A 110 -36.059 20.435 1.209 1.00 51.22 H new ATOM 1856 N GLU A 111 -30.587 15.455 1.677 1.00 53.41 N ATOM 1857 CA GLU A 111 -30.208 14.119 1.232 1.00 10.43 C ATOM 1858 C GLU A 111 -30.627 13.067 2.254 1.00 22.44 C ATOM 1859 O GLU A 111 -30.841 11.903 1.913 1.00 74.02 O ATOM 1860 CB GLU A 111 -28.698 14.046 0.997 1.00 21.42 C ATOM 1861 CG GLU A 111 -28.320 13.457 -0.352 1.00 21.14 C ATOM 1862 CD GLU A 111 -26.931 12.849 -0.354 1.00 44.22 C ATOM 1863 OE1 GLU A 111 -26.464 12.430 0.725 1.00 22.23 O ATOM 1864 OE2 GLU A 111 -26.310 12.793 -1.437 1.00 14.11 O ATOM 0 H GLU A 111 -29.812 16.019 2.027 1.00 53.41 H new ATOM 0 HA GLU A 111 -30.724 13.915 0.294 1.00 10.43 H new ATOM 0 HB2 GLU A 111 -28.277 15.048 1.077 1.00 21.42 H new ATOM 0 HB3 GLU A 111 -28.245 13.446 1.786 1.00 21.42 H new ATOM 0 HG2 GLU A 111 -29.047 12.693 -0.628 1.00 21.14 H new ATOM 0 HG3 GLU A 111 -28.373 14.236 -1.112 1.00 21.14 H new ATOM 1871 N THR A 112 -30.741 13.483 3.512 1.00 42.22 N ATOM 1872 CA THR A 112 -31.132 12.577 4.585 1.00 43.44 C ATOM 1873 C THR A 112 -32.577 12.121 4.419 1.00 24.43 C ATOM 1874 O THR A 112 -32.869 10.927 4.476 1.00 71.45 O ATOM 1875 CB THR A 112 -30.969 13.240 5.966 1.00 73.51 C ATOM 1876 OG1 THR A 112 -29.695 13.887 6.052 1.00 20.21 O ATOM 1877 CG2 THR A 112 -31.097 12.209 7.078 1.00 1.50 C ATOM 0 H THR A 112 -30.568 14.442 3.813 1.00 42.22 H new ATOM 0 HA THR A 112 -30.472 11.712 4.526 1.00 43.44 H new ATOM 0 HB THR A 112 -31.760 13.981 6.085 1.00 73.51 H new ATOM 0 HG1 THR A 112 -29.662 14.438 6.862 1.00 20.21 H new ATOM 0 HG21 THR A 112 -30.979 12.699 8.044 1.00 1.50 H new ATOM 0 HG22 THR A 112 -32.079 11.739 7.027 1.00 1.50 H new ATOM 0 HG23 THR A 112 -30.325 11.449 6.960 1.00 1.50 H new ATOM 1885 N GLN A 113 -33.475 13.078 4.215 1.00 54.13 N ATOM 1886 CA GLN A 113 -34.890 12.772 4.041 1.00 15.43 C ATOM 1887 C GLN A 113 -35.108 11.867 2.833 1.00 3.12 C ATOM 1888 O GLN A 113 -36.117 11.169 2.742 1.00 51.31 O ATOM 1889 CB GLN A 113 -35.696 14.062 3.878 1.00 13.34 C ATOM 1890 CG GLN A 113 -36.725 14.279 4.976 1.00 55.40 C ATOM 1891 CD GLN A 113 -37.541 15.540 4.770 1.00 52.41 C ATOM 1892 OE1 GLN A 113 -37.000 16.597 4.443 1.00 12.23 O ATOM 1893 NE2 GLN A 113 -38.851 15.436 4.960 1.00 33.00 N ATOM 0 H GLN A 113 -33.249 14.071 4.166 1.00 54.13 H new ATOM 0 HA GLN A 113 -35.234 12.246 4.932 1.00 15.43 H new ATOM 0 HB2 GLN A 113 -35.010 14.909 3.861 1.00 13.34 H new ATOM 0 HB3 GLN A 113 -36.204 14.044 2.914 1.00 13.34 H new ATOM 0 HG2 GLN A 113 -37.395 13.420 5.016 1.00 55.40 H new ATOM 0 HG3 GLN A 113 -36.217 14.333 5.939 1.00 55.40 H new ATOM 0 HE21 GLN A 113 -39.258 14.541 5.231 1.00 33.00 H new ATOM 0 HE22 GLN A 113 -39.451 16.252 4.835 1.00 33.00 H new ATOM 1902 N ALA A 114 -34.154 11.884 1.908 1.00 41.41 N ATOM 1903 CA ALA A 114 -34.240 11.064 0.706 1.00 33.03 C ATOM 1904 C ALA A 114 -34.307 9.582 1.057 1.00 31.53 C ATOM 1905 O ALA A 114 -34.831 8.774 0.290 1.00 63.23 O ATOM 1906 CB ALA A 114 -33.055 11.339 -0.207 1.00 40.21 C ATOM 0 H ALA A 114 -33.312 12.457 1.968 1.00 41.41 H new ATOM 0 HA ALA A 114 -35.158 11.328 0.181 1.00 33.03 H new ATOM 0 HB1 ALA A 114 -33.133 10.720 -1.101 1.00 40.21 H new ATOM 0 HB2 ALA A 114 -33.053 12.391 -0.494 1.00 40.21 H new ATOM 0 HB3 ALA A 114 -32.129 11.104 0.318 1.00 40.21 H new ATOM 1912 N LYS A 115 -33.773 9.229 2.222 1.00 41.41 N ATOM 1913 CA LYS A 115 -33.772 7.844 2.676 1.00 22.10 C ATOM 1914 C LYS A 115 -33.078 6.940 1.662 1.00 31.43 C ATOM 1915 O LYS A 115 -32.593 7.405 0.631 1.00 53.12 O ATOM 1916 CB LYS A 115 -35.205 7.361 2.909 1.00 31.03 C ATOM 1917 CG LYS A 115 -35.509 7.038 4.362 1.00 53.01 C ATOM 1918 CD LYS A 115 -36.375 5.795 4.487 1.00 3.45 C ATOM 1919 CE LYS A 115 -36.899 5.622 5.905 1.00 41.13 C ATOM 1920 NZ LYS A 115 -36.299 4.437 6.577 1.00 25.22 N ATOM 0 H LYS A 115 -33.335 9.885 2.869 1.00 41.41 H new ATOM 0 HA LYS A 115 -33.222 7.796 3.616 1.00 22.10 H new ATOM 0 HB2 LYS A 115 -35.899 8.127 2.563 1.00 31.03 H new ATOM 0 HB3 LYS A 115 -35.383 6.473 2.303 1.00 31.03 H new ATOM 0 HG2 LYS A 115 -34.576 6.889 4.906 1.00 53.01 H new ATOM 0 HG3 LYS A 115 -36.016 7.884 4.826 1.00 53.01 H new ATOM 0 HD2 LYS A 115 -37.213 5.863 3.794 1.00 3.45 H new ATOM 0 HD3 LYS A 115 -35.796 4.917 4.202 1.00 3.45 H new ATOM 0 HE2 LYS A 115 -36.680 6.518 6.485 1.00 41.13 H new ATOM 0 HE3 LYS A 115 -37.984 5.515 5.881 1.00 41.13 H new ATOM 0 HZ1 LYS A 115 -36.681 4.354 7.541 1.00 25.22 H new ATOM 0 HZ2 LYS A 115 -36.530 3.578 6.038 1.00 25.22 H new ATOM 0 HZ3 LYS A 115 -35.266 4.550 6.623 1.00 25.22 H new ATOM 1934 N ARG A 116 -33.036 5.646 1.962 1.00 23.51 N ATOM 1935 CA ARG A 116 -32.402 4.676 1.076 1.00 3.54 C ATOM 1936 C ARG A 116 -33.305 4.352 -0.110 1.00 23.10 C ATOM 1937 O ARG A 116 -34.529 4.342 0.014 1.00 15.12 O ATOM 1938 CB ARG A 116 -32.068 3.395 1.843 1.00 52.13 C ATOM 1939 CG ARG A 116 -30.578 3.184 2.057 1.00 73.44 C ATOM 1940 CD ARG A 116 -30.307 2.352 3.301 1.00 44.44 C ATOM 1941 NE ARG A 116 -30.598 0.937 3.088 1.00 54.31 N ATOM 1942 CZ ARG A 116 -30.738 0.059 4.075 1.00 52.31 C ATOM 1943 NH1 ARG A 116 -30.614 0.449 5.336 1.00 40.20 N ATOM 1944 NH2 ARG A 116 -31.003 -1.212 3.801 1.00 15.32 N ATOM 0 H ARG A 116 -33.433 5.245 2.811 1.00 23.51 H new ATOM 0 HA ARG A 116 -31.479 5.115 0.698 1.00 3.54 H new ATOM 0 HB2 ARG A 116 -32.565 3.422 2.813 1.00 52.13 H new ATOM 0 HB3 ARG A 116 -32.473 2.541 1.301 1.00 52.13 H new ATOM 0 HG2 ARG A 116 -30.151 2.688 1.186 1.00 73.44 H new ATOM 0 HG3 ARG A 116 -30.082 4.150 2.149 1.00 73.44 H new ATOM 0 HD2 ARG A 116 -29.263 2.467 3.594 1.00 44.44 H new ATOM 0 HD3 ARG A 116 -30.913 2.726 4.126 1.00 44.44 H new ATOM 0 HE ARG A 116 -30.699 0.605 2.129 1.00 54.31 H new ATOM 0 HH11 ARG A 116 -30.411 1.425 5.550 1.00 40.20 H new ATOM 0 HH12 ARG A 116 -30.722 -0.227 6.092 1.00 40.20 H new ATOM 0 HH21 ARG A 116 -31.099 -1.515 2.832 1.00 15.32 H new ATOM 0 HH22 ARG A 116 -31.110 -1.886 4.559 1.00 15.32 H new TER 1958 ARG A 116