USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 991 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 48 ASN : amide:sc= -0.177 K(o=-0.17,f=-1.5) USER MOD Set 1.2: A 61 TYR OH : rot 27:sc= 0.00791 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 73:sc= 0.486 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 132:sc= -1.23 (180deg=-1.88!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= -1.11 (180deg=-3.63!) USER MOD Single : A 25 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.6!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.22) USER MOD Single : A 36 THR OG1 : rot -129:sc= 0.0129 USER MOD Single : A 38 GLN : amide:sc= -0.971 K(o=-0.97,f=-1.8!) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.0669 (180deg=-0.431) USER MOD Single : A 45 SER OG : rot 180:sc= -0.532 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.223 F(o=-0.84,f=-0.22) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= -0.143 (180deg=-0.734) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 42:sc= 0.647 USER MOD Single : A 54 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= -0.496 K(o=-0.5,f=-1.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.41) USER MOD Single : A 63 CYS SG : rot -150:sc= -6.72! USER MOD Single : A 64 GLN : amide:sc= -0.76 K(o=-0.76,f=-4.9!) USER MOD Single : A 69 TYR OH : rot 110:sc= -0.116 USER MOD Single : A 71 CYS SG : rot 17:sc= -8! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 90 LYS NZ :NH3+ -133:sc= -0.68 (180deg=-3.97!) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.013 (180deg=-0.175) USER MOD Single : A 94 GLN : amide:sc= -0.684 X(o=-0.68,f=-0.53) USER MOD Single : A 95 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 96 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 97 TYR OH : rot -174:sc= -0.836 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.808 F(o=-3.2,f=-0.81) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 167:sc= -1.92 (180deg=-2.19!) USER MOD Single : A 110 ASN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -75:sc= 0.767 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.26) USER MOD Single : A 122 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00299) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= -0.742 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -56:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.332 26.469 20.200 1.00 0.00 N ATOM 2 CA GLY A 1 -0.561 26.822 18.811 1.00 0.00 C ATOM 3 C GLY A 1 -1.905 27.489 18.596 1.00 0.00 C ATOM 4 O GLY A 1 -2.937 26.976 19.029 1.00 0.00 O ATOM 0 H1 GLY A 1 0.600 26.016 20.294 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.360 27.328 20.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.071 25.809 20.517 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.231 27.491 18.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.502 25.924 18.197 1.00 0.00 H new ATOM 8 N SER A 2 -1.894 28.638 17.928 1.00 0.00 N ATOM 9 CA SER A 2 -3.120 29.380 17.661 1.00 0.00 C ATOM 10 C SER A 2 -4.068 28.566 16.785 1.00 0.00 C ATOM 11 O SER A 2 -5.267 28.490 17.053 1.00 0.00 O ATOM 12 CB SER A 2 -2.799 30.712 16.983 1.00 0.00 C ATOM 13 OG SER A 2 -1.823 30.546 15.968 1.00 0.00 O ATOM 0 H SER A 2 -1.049 29.075 17.562 1.00 0.00 H new ATOM 0 HA SER A 2 -3.611 29.575 18.614 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.708 31.133 16.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.439 31.424 17.725 1.00 0.00 H new ATOM 0 HG SER A 2 -1.637 31.412 15.549 1.00 0.00 H new ATOM 19 N SER A 3 -3.520 27.959 15.737 1.00 0.00 N ATOM 20 CA SER A 3 -4.316 27.153 14.819 1.00 0.00 C ATOM 21 C SER A 3 -3.917 25.683 14.900 1.00 0.00 C ATOM 22 O SER A 3 -3.945 24.964 13.902 1.00 0.00 O ATOM 23 CB SER A 3 -4.148 27.660 13.385 1.00 0.00 C ATOM 24 OG SER A 3 -2.842 27.398 12.902 1.00 0.00 O ATOM 0 H SER A 3 -2.529 28.010 15.503 1.00 0.00 H new ATOM 0 HA SER A 3 -5.363 27.244 15.109 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.882 27.180 12.738 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.344 28.732 13.349 1.00 0.00 H new ATOM 0 HG SER A 3 -2.760 27.730 11.983 1.00 0.00 H new ATOM 30 N GLY A 4 -3.544 25.242 16.098 1.00 0.00 N ATOM 31 CA GLY A 4 -3.144 23.861 16.289 1.00 0.00 C ATOM 32 C GLY A 4 -3.969 22.898 15.458 1.00 0.00 C ATOM 33 O GLY A 4 -5.159 22.711 15.711 1.00 0.00 O ATOM 0 H GLY A 4 -3.512 25.817 16.940 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.091 23.751 16.028 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.240 23.601 17.343 1.00 0.00 H new ATOM 37 N SER A 5 -3.336 22.286 14.462 1.00 0.00 N ATOM 38 CA SER A 5 -4.021 21.342 13.587 1.00 0.00 C ATOM 39 C SER A 5 -3.129 20.144 13.277 1.00 0.00 C ATOM 40 O SER A 5 -1.920 20.179 13.508 1.00 0.00 O ATOM 41 CB SER A 5 -4.441 22.030 12.287 1.00 0.00 C ATOM 42 OG SER A 5 -5.533 22.907 12.504 1.00 0.00 O ATOM 0 H SER A 5 -2.350 22.427 14.241 1.00 0.00 H new ATOM 0 HA SER A 5 -4.912 20.986 14.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.598 22.588 11.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.715 21.279 11.546 1.00 0.00 H new ATOM 0 HG SER A 5 -5.222 23.704 12.982 1.00 0.00 H new ATOM 48 N SER A 6 -3.734 19.083 12.751 1.00 0.00 N ATOM 49 CA SER A 6 -2.997 17.872 12.412 1.00 0.00 C ATOM 50 C SER A 6 -3.396 17.362 11.030 1.00 0.00 C ATOM 51 O SER A 6 -4.422 17.761 10.482 1.00 0.00 O ATOM 52 CB SER A 6 -3.247 16.787 13.460 1.00 0.00 C ATOM 53 OG SER A 6 -2.362 16.925 14.559 1.00 0.00 O ATOM 0 H SER A 6 -4.733 19.038 12.551 1.00 0.00 H new ATOM 0 HA SER A 6 -1.935 18.115 12.398 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.278 16.845 13.810 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.119 15.804 13.007 1.00 0.00 H new ATOM 0 HG SER A 6 -2.543 16.221 15.216 1.00 0.00 H new ATOM 59 N GLY A 7 -2.575 16.477 10.473 1.00 0.00 N ATOM 60 CA GLY A 7 -2.858 15.926 9.161 1.00 0.00 C ATOM 61 C GLY A 7 -1.883 14.834 8.767 1.00 0.00 C ATOM 62 O GLY A 7 -1.224 14.925 7.732 1.00 0.00 O ATOM 0 H GLY A 7 -1.719 16.132 10.907 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.871 15.525 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.823 16.725 8.420 1.00 0.00 H new ATOM 66 N MET A 8 -1.789 13.800 9.597 1.00 0.00 N ATOM 67 CA MET A 8 -0.887 12.686 9.330 1.00 0.00 C ATOM 68 C MET A 8 -1.623 11.354 9.430 1.00 0.00 C ATOM 69 O MET A 8 -2.003 10.924 10.519 1.00 0.00 O ATOM 70 CB MET A 8 0.288 12.708 10.309 1.00 0.00 C ATOM 71 CG MET A 8 -0.134 12.630 11.767 1.00 0.00 C ATOM 72 SD MET A 8 1.058 13.401 12.878 1.00 0.00 S ATOM 73 CE MET A 8 1.119 15.061 12.209 1.00 0.00 C ATOM 0 H MET A 8 -2.326 13.711 10.459 1.00 0.00 H new ATOM 0 HA MET A 8 -0.506 12.795 8.314 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.952 11.872 10.086 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.862 13.621 10.154 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.103 13.115 11.887 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.263 11.585 12.048 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.021 15.784 13.019 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.071 15.213 11.700 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.302 15.198 11.500 1.00 0.00 H new ATOM 83 N ALA A 9 -1.821 10.705 8.288 1.00 0.00 N ATOM 84 CA ALA A 9 -2.510 9.421 8.248 1.00 0.00 C ATOM 85 C ALA A 9 -2.497 8.834 6.840 1.00 0.00 C ATOM 86 O ALA A 9 -2.620 9.560 5.854 1.00 0.00 O ATOM 87 CB ALA A 9 -3.940 9.573 8.745 1.00 0.00 C ATOM 0 H ALA A 9 -1.514 11.047 7.378 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.980 8.732 8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.442 8.606 8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.931 9.940 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.472 10.282 8.111 1.00 0.00 H new ATOM 93 N ILE A 10 -2.347 7.517 6.755 1.00 0.00 N ATOM 94 CA ILE A 10 -2.318 6.833 5.468 1.00 0.00 C ATOM 95 C ILE A 10 -3.509 7.237 4.605 1.00 0.00 C ATOM 96 O ILE A 10 -4.641 7.312 5.085 1.00 0.00 O ATOM 97 CB ILE A 10 -2.320 5.303 5.643 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.113 4.861 6.473 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.317 4.615 4.286 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.280 3.497 7.104 1.00 0.00 C ATOM 0 H ILE A 10 -2.244 6.902 7.562 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.394 7.132 4.972 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.227 5.014 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.228 4.852 5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.933 5.596 7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.318 3.534 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.205 4.910 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.425 4.908 3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.386 3.249 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.145 3.506 7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.429 2.751 6.324 1.00 0.00 H new ATOM 112 N LEU A 11 -3.247 7.494 3.328 1.00 0.00 N ATOM 113 CA LEU A 11 -4.298 7.888 2.396 1.00 0.00 C ATOM 114 C LEU A 11 -4.317 6.970 1.178 1.00 0.00 C ATOM 115 O LEU A 11 -5.382 6.617 0.670 1.00 0.00 O ATOM 116 CB LEU A 11 -4.096 9.338 1.953 1.00 0.00 C ATOM 117 CG LEU A 11 -4.339 10.406 3.020 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.691 11.721 2.615 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.830 10.594 3.256 1.00 0.00 C ATOM 0 H LEU A 11 -2.316 7.437 2.914 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.256 7.801 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.075 9.446 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.760 9.536 1.112 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.884 10.072 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.874 12.469 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.617 11.576 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.117 12.061 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.984 11.358 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.309 10.906 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.267 9.653 3.591 1.00 0.00 H new ATOM 131 N PHE A 12 -3.133 6.584 0.715 1.00 0.00 N ATOM 132 CA PHE A 12 -3.014 5.706 -0.443 1.00 0.00 C ATOM 133 C PHE A 12 -2.387 4.371 -0.051 1.00 0.00 C ATOM 134 O PHE A 12 -1.391 4.328 0.671 1.00 0.00 O ATOM 135 CB PHE A 12 -2.174 6.375 -1.533 1.00 0.00 C ATOM 136 CG PHE A 12 -2.225 5.659 -2.853 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.209 5.959 -3.781 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.288 4.687 -3.165 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.258 5.301 -4.995 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.332 4.026 -4.378 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.318 4.334 -5.295 1.00 0.00 C ATOM 0 H PHE A 12 -2.242 6.865 1.124 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.016 5.518 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.521 7.399 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.138 6.431 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.946 6.715 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.514 4.443 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.031 5.543 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.596 3.270 -4.609 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.354 3.820 -6.244 1.00 0.00 H new ATOM 151 N ALA A 13 -2.980 3.282 -0.530 1.00 0.00 N ATOM 152 CA ALA A 13 -2.480 1.946 -0.232 1.00 0.00 C ATOM 153 C ALA A 13 -2.993 0.929 -1.246 1.00 0.00 C ATOM 154 O ALA A 13 -4.198 0.714 -1.370 1.00 0.00 O ATOM 155 CB ALA A 13 -2.880 1.536 1.178 1.00 0.00 C ATOM 0 H ALA A 13 -3.807 3.299 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.392 1.969 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.500 0.536 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.460 2.241 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.967 1.536 1.263 1.00 0.00 H new ATOM 161 N VAL A 14 -2.069 0.305 -1.970 1.00 0.00 N ATOM 162 CA VAL A 14 -2.427 -0.690 -2.974 1.00 0.00 C ATOM 163 C VAL A 14 -1.415 -1.830 -3.003 1.00 0.00 C ATOM 164 O VAL A 14 -0.251 -1.651 -2.645 1.00 0.00 O ATOM 165 CB VAL A 14 -2.518 -0.063 -4.378 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.312 1.234 -4.334 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.127 0.173 -4.947 1.00 0.00 C ATOM 0 H VAL A 14 -1.067 0.471 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.405 -1.083 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.041 -0.759 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.365 1.662 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.320 1.031 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.820 1.939 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.210 0.616 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.576 0.849 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.597 -0.777 -5.017 1.00 0.00 H new ATOM 177 N VAL A 15 -1.867 -3.004 -3.433 1.00 0.00 N ATOM 178 CA VAL A 15 -1.002 -4.174 -3.510 1.00 0.00 C ATOM 179 C VAL A 15 -0.758 -4.583 -4.959 1.00 0.00 C ATOM 180 O VAL A 15 -1.687 -4.961 -5.672 1.00 0.00 O ATOM 181 CB VAL A 15 -1.602 -5.369 -2.746 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.686 -6.579 -2.841 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.859 -4.997 -1.293 1.00 0.00 C ATOM 0 H VAL A 15 -2.828 -3.169 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.054 -3.896 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.556 -5.629 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.127 -7.413 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.558 -6.857 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.285 -6.335 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.283 -5.853 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.920 -4.709 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.558 -4.162 -1.249 1.00 0.00 H new ATOM 193 N ALA A 16 0.497 -4.503 -5.387 1.00 0.00 N ATOM 194 CA ALA A 16 0.864 -4.867 -6.751 1.00 0.00 C ATOM 195 C ALA A 16 2.136 -5.707 -6.771 1.00 0.00 C ATOM 196 O ALA A 16 3.158 -5.317 -6.206 1.00 0.00 O ATOM 197 CB ALA A 16 1.039 -3.617 -7.601 1.00 0.00 C ATOM 0 H ALA A 16 1.277 -4.190 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 16 0.057 -5.468 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.313 -3.903 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.104 -3.057 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.826 -2.994 -7.175 1.00 0.00 H new ATOM 203 N ARG A 17 2.067 -6.861 -7.426 1.00 0.00 N ATOM 204 CA ARG A 17 3.214 -7.757 -7.519 1.00 0.00 C ATOM 205 C ARG A 17 4.157 -7.319 -8.636 1.00 0.00 C ATOM 206 O ARG A 17 3.792 -7.331 -9.811 1.00 0.00 O ATOM 207 CB ARG A 17 2.748 -9.193 -7.764 1.00 0.00 C ATOM 208 CG ARG A 17 2.151 -9.412 -9.144 1.00 0.00 C ATOM 209 CD ARG A 17 1.467 -10.766 -9.247 1.00 0.00 C ATOM 210 NE ARG A 17 0.505 -10.812 -10.345 1.00 0.00 N ATOM 211 CZ ARG A 17 0.128 -11.935 -10.945 1.00 0.00 C ATOM 212 NH1 ARG A 17 0.629 -13.099 -10.556 1.00 0.00 N ATOM 213 NH2 ARG A 17 -0.753 -11.895 -11.937 1.00 0.00 N ATOM 0 H ARG A 17 1.229 -7.198 -7.900 1.00 0.00 H new ATOM 0 HA ARG A 17 3.754 -7.714 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.594 -9.868 -7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.007 -9.459 -7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.431 -8.622 -9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.936 -9.342 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.219 -11.542 -9.391 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.957 -10.987 -8.309 1.00 0.00 H new ATOM 0 HE ARG A 17 0.101 -9.933 -10.669 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.306 -13.134 -9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.337 -13.960 -11.019 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.141 -11.001 -12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.042 -12.758 -12.397 1.00 0.00 H new ATOM 227 N GLY A 18 5.373 -6.932 -8.260 1.00 0.00 N ATOM 228 CA GLY A 18 6.349 -6.496 -9.241 1.00 0.00 C ATOM 229 C GLY A 18 5.874 -5.296 -10.037 1.00 0.00 C ATOM 230 O GLY A 18 6.147 -4.152 -9.673 1.00 0.00 O ATOM 0 H GLY A 18 5.699 -6.913 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.282 -6.247 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.566 -7.318 -9.923 1.00 0.00 H new ATOM 234 N THR A 19 5.163 -5.556 -11.130 1.00 0.00 N ATOM 235 CA THR A 19 4.651 -4.490 -11.981 1.00 0.00 C ATOM 236 C THR A 19 3.198 -4.742 -12.366 1.00 0.00 C ATOM 237 O THR A 19 2.749 -4.335 -13.438 1.00 0.00 O ATOM 238 CB THR A 19 5.493 -4.342 -13.263 1.00 0.00 C ATOM 239 OG1 THR A 19 5.839 -5.635 -13.773 1.00 0.00 O ATOM 240 CG2 THR A 19 6.758 -3.543 -12.991 1.00 0.00 C ATOM 0 H THR A 19 4.929 -6.497 -11.446 1.00 0.00 H new ATOM 0 HA THR A 19 4.715 -3.567 -11.404 1.00 0.00 H new ATOM 0 HB THR A 19 4.898 -3.807 -14.003 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.373 -5.533 -14.589 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.336 -3.452 -13.911 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.491 -2.550 -12.631 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.356 -4.054 -12.236 1.00 0.00 H new ATOM 248 N THR A 20 2.466 -5.417 -11.485 1.00 0.00 N ATOM 249 CA THR A 20 1.063 -5.724 -11.734 1.00 0.00 C ATOM 250 C THR A 20 0.206 -5.402 -10.515 1.00 0.00 C ATOM 251 O THR A 20 0.457 -5.901 -9.418 1.00 0.00 O ATOM 252 CB THR A 20 0.870 -7.206 -12.106 1.00 0.00 C ATOM 253 OG1 THR A 20 1.706 -7.545 -13.218 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.583 -7.493 -12.452 1.00 0.00 C ATOM 0 H THR A 20 2.821 -5.761 -10.593 1.00 0.00 H new ATOM 0 HA THR A 20 0.747 -5.103 -12.572 1.00 0.00 H new ATOM 0 HB THR A 20 1.148 -7.813 -11.244 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.578 -8.489 -13.447 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.694 -8.546 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.214 -7.262 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.884 -6.877 -13.299 1.00 0.00 H new ATOM 262 N ILE A 21 -0.808 -4.566 -10.715 1.00 0.00 N ATOM 263 CA ILE A 21 -1.703 -4.179 -9.632 1.00 0.00 C ATOM 264 C ILE A 21 -2.925 -5.089 -9.578 1.00 0.00 C ATOM 265 O ILE A 21 -3.760 -5.081 -10.484 1.00 0.00 O ATOM 266 CB ILE A 21 -2.170 -2.719 -9.782 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.967 -1.792 -9.960 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.995 -2.300 -8.574 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.307 -0.485 -10.643 1.00 0.00 C ATOM 0 H ILE A 21 -1.030 -4.144 -11.617 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.138 -4.277 -8.705 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.798 -2.643 -10.670 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.534 -1.580 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.203 -2.309 -10.541 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.318 -1.266 -8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.869 -2.945 -8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.390 -2.388 -7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.406 0.122 -10.736 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.712 -0.687 -11.635 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.048 0.053 -10.051 1.00 0.00 H new ATOM 281 N LEU A 22 -3.026 -5.873 -8.510 1.00 0.00 N ATOM 282 CA LEU A 22 -4.148 -6.788 -8.336 1.00 0.00 C ATOM 283 C LEU A 22 -5.345 -6.072 -7.718 1.00 0.00 C ATOM 284 O LEU A 22 -6.425 -6.026 -8.307 1.00 0.00 O ATOM 285 CB LEU A 22 -3.736 -7.969 -7.455 1.00 0.00 C ATOM 286 CG LEU A 22 -2.502 -8.748 -7.910 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.964 -9.606 -6.776 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.831 -9.608 -9.122 1.00 0.00 C ATOM 0 H LEU A 22 -2.344 -5.893 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.438 -7.159 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.555 -7.598 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.576 -8.661 -7.394 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.730 -8.033 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.086 -10.153 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.689 -8.968 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.731 -10.313 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.941 -10.155 -9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.620 -10.314 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.168 -8.971 -9.940 1.00 0.00 H new ATOM 300 N ALA A 23 -5.144 -5.512 -6.530 1.00 0.00 N ATOM 301 CA ALA A 23 -6.206 -4.794 -5.835 1.00 0.00 C ATOM 302 C ALA A 23 -5.720 -3.433 -5.348 1.00 0.00 C ATOM 303 O ALA A 23 -4.745 -3.341 -4.602 1.00 0.00 O ATOM 304 CB ALA A 23 -6.725 -5.620 -4.668 1.00 0.00 C ATOM 0 H ALA A 23 -4.256 -5.541 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.021 -4.629 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.517 -5.072 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.119 -6.566 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.911 -5.815 -3.970 1.00 0.00 H new ATOM 310 N LYS A 24 -6.405 -2.378 -5.775 1.00 0.00 N ATOM 311 CA LYS A 24 -6.044 -1.021 -5.382 1.00 0.00 C ATOM 312 C LYS A 24 -7.251 -0.278 -4.818 1.00 0.00 C ATOM 313 O LYS A 24 -8.359 -0.384 -5.345 1.00 0.00 O ATOM 314 CB LYS A 24 -5.475 -0.255 -6.579 1.00 0.00 C ATOM 315 CG LYS A 24 -6.450 -0.124 -7.737 1.00 0.00 C ATOM 316 CD LYS A 24 -6.094 1.049 -8.635 1.00 0.00 C ATOM 317 CE LYS A 24 -6.946 1.064 -9.895 1.00 0.00 C ATOM 318 NZ LYS A 24 -6.826 2.353 -10.630 1.00 0.00 N ATOM 0 H LYS A 24 -7.214 -2.436 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.283 -1.086 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.175 0.741 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.575 -0.760 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.448 -1.044 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.461 0.006 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.233 1.982 -8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.040 0.993 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.644 0.245 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.989 0.893 -9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.736 2.583 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.567 3.109 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.091 2.269 -11.361 1.00 0.00 H new ATOM 332 N HIS A 25 -7.029 0.474 -3.745 1.00 0.00 N ATOM 333 CA HIS A 25 -8.100 1.236 -3.111 1.00 0.00 C ATOM 334 C HIS A 25 -7.534 2.407 -2.314 1.00 0.00 C ATOM 335 O HIS A 25 -6.912 2.217 -1.269 1.00 0.00 O ATOM 336 CB HIS A 25 -8.925 0.332 -2.195 1.00 0.00 C ATOM 337 CG HIS A 25 -10.246 0.920 -1.805 1.00 0.00 C ATOM 338 ND1 HIS A 25 -11.388 0.775 -2.563 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.602 1.657 -0.727 1.00 0.00 C ATOM 340 CE1 HIS A 25 -12.390 1.398 -1.970 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.940 1.942 -0.853 1.00 0.00 N ATOM 0 H HIS A 25 -6.118 0.572 -3.296 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.745 1.631 -3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.095 -0.621 -2.696 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.350 0.121 -1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.955 1.964 0.081 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.405 1.453 -2.336 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.496 2.485 -0.192 1.00 0.00 H new ATOM 350 N ALA A 26 -7.753 3.619 -2.814 1.00 0.00 N ATOM 351 CA ALA A 26 -7.267 4.820 -2.148 1.00 0.00 C ATOM 352 C ALA A 26 -8.380 5.851 -1.992 1.00 0.00 C ATOM 353 O ALA A 26 -9.433 5.740 -2.619 1.00 0.00 O ATOM 354 CB ALA A 26 -6.098 5.415 -2.920 1.00 0.00 C ATOM 0 H ALA A 26 -8.264 3.794 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.926 4.540 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.745 6.312 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.289 4.686 -2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.422 5.674 -3.928 1.00 0.00 H new ATOM 360 N TRP A 27 -8.139 6.852 -1.153 1.00 0.00 N ATOM 361 CA TRP A 27 -9.123 7.902 -0.914 1.00 0.00 C ATOM 362 C TRP A 27 -9.193 8.861 -2.098 1.00 0.00 C ATOM 363 O TRP A 27 -8.212 9.045 -2.818 1.00 0.00 O ATOM 364 CB TRP A 27 -8.779 8.671 0.362 1.00 0.00 C ATOM 365 CG TRP A 27 -9.002 7.877 1.613 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.329 6.755 2.003 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.967 8.145 2.637 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.817 6.308 3.207 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.822 7.144 3.617 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.937 9.133 2.822 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.612 7.105 4.763 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.721 9.092 3.959 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.554 8.085 4.918 1.00 0.00 C ATOM 0 H TRP A 27 -7.272 6.959 -0.627 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.099 7.431 -0.793 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.735 8.983 0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.381 9.579 0.404 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.530 6.287 1.447 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.485 5.487 3.713 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.072 9.915 2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.486 6.329 5.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.476 9.850 4.111 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.181 8.082 5.797 1.00 0.00 H new ATOM 384 N CYS A 28 -10.358 9.469 -2.292 1.00 0.00 N ATOM 385 CA CYS A 28 -10.555 10.409 -3.390 1.00 0.00 C ATOM 386 C CYS A 28 -9.876 11.742 -3.092 1.00 0.00 C ATOM 387 O CYS A 28 -10.383 12.549 -2.314 1.00 0.00 O ATOM 388 CB CYS A 28 -12.048 10.628 -3.639 1.00 0.00 C ATOM 389 SG CYS A 28 -12.887 9.212 -4.387 1.00 0.00 S ATOM 0 H CYS A 28 -11.180 9.328 -1.704 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.103 9.984 -4.286 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.532 10.865 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.174 11.495 -4.287 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.145 9.493 -4.556 1.00 0.00 H new ATOM 395 N GLY A 29 -8.724 11.966 -3.717 1.00 0.00 N ATOM 396 CA GLY A 29 -7.993 13.202 -3.505 1.00 0.00 C ATOM 397 C GLY A 29 -7.283 13.677 -4.757 1.00 0.00 C ATOM 398 O GLY A 29 -7.483 14.807 -5.201 1.00 0.00 O ATOM 0 H GLY A 29 -8.284 11.314 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.683 13.975 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.262 13.057 -2.709 1.00 0.00 H new ATOM 402 N GLY A 30 -6.450 12.813 -5.329 1.00 0.00 N ATOM 403 CA GLY A 30 -5.719 13.170 -6.530 1.00 0.00 C ATOM 404 C GLY A 30 -5.286 11.956 -7.328 1.00 0.00 C ATOM 405 O GLY A 30 -5.956 10.925 -7.315 1.00 0.00 O ATOM 0 H GLY A 30 -6.269 11.871 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.343 13.808 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.840 13.754 -6.257 1.00 0.00 H new ATOM 409 N ASN A 31 -4.161 12.079 -8.026 1.00 0.00 N ATOM 410 CA ASN A 31 -3.640 10.983 -8.835 1.00 0.00 C ATOM 411 C ASN A 31 -2.313 10.478 -8.276 1.00 0.00 C ATOM 412 O ASN A 31 -1.266 11.090 -8.486 1.00 0.00 O ATOM 413 CB ASN A 31 -3.457 11.434 -10.285 1.00 0.00 C ATOM 414 CG ASN A 31 -2.972 12.867 -10.388 1.00 0.00 C ATOM 415 OD1 ASN A 31 -3.768 13.806 -10.382 1.00 0.00 O ATOM 416 ND2 ASN A 31 -1.659 13.041 -10.483 1.00 0.00 N ATOM 0 H ASN A 31 -3.593 12.926 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.361 10.166 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.743 10.775 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.404 11.335 -10.816 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.273 13.982 -10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.036 12.233 -10.484 1.00 0.00 H new ATOM 423 N PHE A 32 -2.365 9.357 -7.565 1.00 0.00 N ATOM 424 CA PHE A 32 -1.167 8.769 -6.976 1.00 0.00 C ATOM 425 C PHE A 32 -0.722 7.539 -7.762 1.00 0.00 C ATOM 426 O PHE A 32 0.465 7.360 -8.038 1.00 0.00 O ATOM 427 CB PHE A 32 -1.425 8.390 -5.516 1.00 0.00 C ATOM 428 CG PHE A 32 -1.110 9.492 -4.546 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.074 10.205 -4.648 1.00 0.00 C ATOM 430 CD2 PHE A 32 -1.997 9.817 -3.533 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.367 11.219 -3.756 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.710 10.830 -2.638 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.527 11.533 -2.751 1.00 0.00 C ATOM 0 H PHE A 32 -3.223 8.837 -7.382 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.370 9.512 -7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.471 8.105 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.827 7.514 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.776 9.965 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.925 9.272 -3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.294 11.766 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.410 11.071 -1.852 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.301 12.327 -2.055 1.00 0.00 H new ATOM 443 N LEU A 33 -1.683 6.693 -8.119 1.00 0.00 N ATOM 444 CA LEU A 33 -1.391 5.479 -8.873 1.00 0.00 C ATOM 445 C LEU A 33 -0.265 5.716 -9.874 1.00 0.00 C ATOM 446 O LEU A 33 0.531 4.820 -10.150 1.00 0.00 O ATOM 447 CB LEU A 33 -2.645 4.995 -9.603 1.00 0.00 C ATOM 448 CG LEU A 33 -2.596 3.567 -10.148 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.618 2.560 -9.009 1.00 0.00 C ATOM 450 CD2 LEU A 33 -3.755 3.321 -11.102 1.00 0.00 C ATOM 0 H LEU A 33 -2.670 6.826 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.069 4.712 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.491 5.073 -8.920 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.842 5.673 -10.434 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.664 3.440 -10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.583 1.549 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.755 2.722 -8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.533 2.686 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.704 2.300 -11.480 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.698 3.466 -10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.695 4.020 -11.936 1.00 0.00 H new ATOM 462 N GLU A 34 -0.205 6.930 -10.411 1.00 0.00 N ATOM 463 CA GLU A 34 0.826 7.285 -11.380 1.00 0.00 C ATOM 464 C GLU A 34 2.219 7.104 -10.785 1.00 0.00 C ATOM 465 O GLU A 34 2.974 6.225 -11.200 1.00 0.00 O ATOM 466 CB GLU A 34 0.642 8.731 -11.846 1.00 0.00 C ATOM 467 CG GLU A 34 1.369 9.050 -13.142 1.00 0.00 C ATOM 468 CD GLU A 34 1.398 10.536 -13.445 1.00 0.00 C ATOM 469 OE1 GLU A 34 1.472 11.335 -12.489 1.00 0.00 O ATOM 470 OE2 GLU A 34 1.346 10.898 -14.639 1.00 0.00 O ATOM 0 H GLU A 34 -0.857 7.684 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 34 0.728 6.619 -12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.422 8.929 -11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.997 9.404 -11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.391 8.675 -13.083 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.884 8.525 -13.965 1.00 0.00 H new ATOM 477 N VAL A 35 2.552 7.942 -9.809 1.00 0.00 N ATOM 478 CA VAL A 35 3.854 7.875 -9.155 1.00 0.00 C ATOM 479 C VAL A 35 4.121 6.479 -8.604 1.00 0.00 C ATOM 480 O VAL A 35 5.216 5.938 -8.755 1.00 0.00 O ATOM 481 CB VAL A 35 3.959 8.897 -8.008 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.741 8.808 -7.100 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.240 8.681 -7.217 1.00 0.00 C ATOM 0 H VAL A 35 1.939 8.675 -9.453 1.00 0.00 H new ATOM 0 HA VAL A 35 4.601 8.112 -9.912 1.00 0.00 H new ATOM 0 HB VAL A 35 3.989 9.898 -8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.833 9.538 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.841 9.016 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.676 7.806 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.297 9.412 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.243 7.676 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.099 8.800 -7.877 1.00 0.00 H new ATOM 493 N THR A 36 3.110 5.899 -7.963 1.00 0.00 N ATOM 494 CA THR A 36 3.235 4.566 -7.388 1.00 0.00 C ATOM 495 C THR A 36 3.715 3.561 -8.429 1.00 0.00 C ATOM 496 O THR A 36 4.771 2.949 -8.273 1.00 0.00 O ATOM 497 CB THR A 36 1.897 4.080 -6.801 1.00 0.00 C ATOM 498 OG1 THR A 36 1.494 4.935 -5.725 1.00 0.00 O ATOM 499 CG2 THR A 36 2.013 2.648 -6.300 1.00 0.00 C ATOM 0 H THR A 36 2.196 6.332 -7.830 1.00 0.00 H new ATOM 0 HA THR A 36 3.971 4.635 -6.587 1.00 0.00 H new ATOM 0 HB THR A 36 1.147 4.112 -7.591 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.277 4.391 -4.939 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.055 2.327 -5.890 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.291 1.995 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.776 2.595 -5.524 1.00 0.00 H new ATOM 507 N GLU A 37 2.932 3.396 -9.491 1.00 0.00 N ATOM 508 CA GLU A 37 3.279 2.464 -10.558 1.00 0.00 C ATOM 509 C GLU A 37 4.719 2.675 -11.017 1.00 0.00 C ATOM 510 O GLU A 37 5.469 1.716 -11.198 1.00 0.00 O ATOM 511 CB GLU A 37 2.325 2.632 -11.742 1.00 0.00 C ATOM 512 CG GLU A 37 1.016 1.877 -11.581 1.00 0.00 C ATOM 513 CD GLU A 37 0.430 1.436 -12.908 1.00 0.00 C ATOM 514 OE1 GLU A 37 0.953 0.464 -13.492 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.551 2.062 -13.361 1.00 0.00 O ATOM 0 H GLU A 37 2.054 3.895 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 37 3.185 1.451 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.109 3.692 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.822 2.291 -12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.181 1.002 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.296 2.511 -11.063 1.00 0.00 H new ATOM 522 N GLN A 38 5.097 3.935 -11.203 1.00 0.00 N ATOM 523 CA GLN A 38 6.446 4.271 -11.643 1.00 0.00 C ATOM 524 C GLN A 38 7.489 3.642 -10.726 1.00 0.00 C ATOM 525 O GLN A 38 8.475 3.070 -11.192 1.00 0.00 O ATOM 526 CB GLN A 38 6.630 5.789 -11.678 1.00 0.00 C ATOM 527 CG GLN A 38 5.984 6.453 -12.884 1.00 0.00 C ATOM 528 CD GLN A 38 6.283 5.726 -14.180 1.00 0.00 C ATOM 529 OE1 GLN A 38 5.662 4.709 -14.493 1.00 0.00 O ATOM 530 NE2 GLN A 38 7.239 6.244 -14.943 1.00 0.00 N ATOM 0 H GLN A 38 4.488 4.740 -11.056 1.00 0.00 H new ATOM 0 HA GLN A 38 6.584 3.872 -12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.210 6.219 -10.769 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.696 6.018 -11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.905 6.495 -12.736 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.336 7.482 -12.959 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.728 7.088 -14.645 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.484 5.798 -15.827 1.00 0.00 H new ATOM 539 N ILE A 39 7.266 3.752 -9.421 1.00 0.00 N ATOM 540 CA ILE A 39 8.188 3.193 -8.439 1.00 0.00 C ATOM 541 C ILE A 39 8.178 1.668 -8.482 1.00 0.00 C ATOM 542 O ILE A 39 9.225 1.027 -8.387 1.00 0.00 O ATOM 543 CB ILE A 39 7.840 3.658 -7.012 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.877 5.185 -6.927 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.801 3.042 -6.006 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.272 5.762 -7.028 1.00 0.00 C ATOM 0 H ILE A 39 6.455 4.223 -9.019 1.00 0.00 H new ATOM 0 HA ILE A 39 9.183 3.555 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 39 6.830 3.324 -6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.262 5.600 -7.725 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.430 5.499 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.543 3.380 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.730 1.955 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.820 3.349 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.222 6.849 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.885 5.375 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.715 5.478 -7.983 1.00 0.00 H new ATOM 558 N LEU A 40 6.989 1.094 -8.627 1.00 0.00 N ATOM 559 CA LEU A 40 6.841 -0.356 -8.684 1.00 0.00 C ATOM 560 C LEU A 40 7.763 -0.956 -9.741 1.00 0.00 C ATOM 561 O LEU A 40 8.482 -1.919 -9.478 1.00 0.00 O ATOM 562 CB LEU A 40 5.389 -0.729 -8.986 1.00 0.00 C ATOM 563 CG LEU A 40 4.378 -0.450 -7.873 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.957 -0.625 -8.386 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.633 -1.361 -6.681 1.00 0.00 C ATOM 0 H LEU A 40 6.113 1.611 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 40 7.119 -0.763 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.074 -0.189 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.350 -1.791 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 40 4.500 0.583 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.252 -0.422 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.779 0.069 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.821 -1.647 -8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.904 -1.149 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.539 -2.402 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.638 -1.186 -6.298 1.00 0.00 H new ATOM 577 N ALA A 41 7.738 -0.377 -10.938 1.00 0.00 N ATOM 578 CA ALA A 41 8.574 -0.851 -12.033 1.00 0.00 C ATOM 579 C ALA A 41 10.053 -0.770 -11.670 1.00 0.00 C ATOM 580 O ALA A 41 10.906 -1.321 -12.367 1.00 0.00 O ATOM 581 CB ALA A 41 8.294 -0.051 -13.296 1.00 0.00 C ATOM 0 H ALA A 41 7.148 0.421 -11.173 1.00 0.00 H new ATOM 0 HA ALA A 41 8.329 -1.897 -12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.926 -0.416 -14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.246 -0.165 -13.574 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.509 1.002 -13.115 1.00 0.00 H new ATOM 587 N LYS A 42 10.351 -0.078 -10.575 1.00 0.00 N ATOM 588 CA LYS A 42 11.727 0.076 -10.118 1.00 0.00 C ATOM 589 C LYS A 42 12.013 -0.842 -8.934 1.00 0.00 C ATOM 590 O LYS A 42 13.146 -1.282 -8.738 1.00 0.00 O ATOM 591 CB LYS A 42 11.996 1.531 -9.727 1.00 0.00 C ATOM 592 CG LYS A 42 12.161 2.461 -10.917 1.00 0.00 C ATOM 593 CD LYS A 42 11.895 3.907 -10.534 1.00 0.00 C ATOM 594 CE LYS A 42 13.167 4.604 -10.075 1.00 0.00 C ATOM 595 NZ LYS A 42 14.141 4.772 -11.189 1.00 0.00 N ATOM 0 H LYS A 42 9.658 0.385 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 42 12.389 -0.202 -10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.174 1.890 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.898 1.573 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.172 2.369 -11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.477 2.162 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.475 4.439 -11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.151 3.943 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.917 5.581 -9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.628 4.027 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.778 5.566 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.698 3.901 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.628 4.966 -12.072 1.00 0.00 H new ATOM 609 N ILE A 43 10.980 -1.127 -8.149 1.00 0.00 N ATOM 610 CA ILE A 43 11.120 -1.994 -6.986 1.00 0.00 C ATOM 611 C ILE A 43 11.210 -3.459 -7.401 1.00 0.00 C ATOM 612 O ILE A 43 10.377 -3.970 -8.149 1.00 0.00 O ATOM 613 CB ILE A 43 9.943 -1.820 -6.009 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.874 -0.375 -5.511 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.080 -2.783 -4.838 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.708 -0.110 -4.585 1.00 0.00 C ATOM 0 H ILE A 43 10.036 -0.770 -8.297 1.00 0.00 H new ATOM 0 HA ILE A 43 12.043 -1.703 -6.485 1.00 0.00 H new ATOM 0 HB ILE A 43 9.016 -2.048 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.802 -0.133 -4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.805 0.294 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.241 -2.648 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.085 -3.808 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.012 -2.583 -4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.722 0.934 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.774 -0.320 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.786 -0.753 -3.708 1.00 0.00 H new ATOM 628 N PRO A 44 12.245 -4.152 -6.903 1.00 0.00 N ATOM 629 CA PRO A 44 12.468 -5.569 -7.206 1.00 0.00 C ATOM 630 C PRO A 44 11.424 -6.471 -6.556 1.00 0.00 C ATOM 631 O PRO A 44 10.731 -6.064 -5.624 1.00 0.00 O ATOM 632 CB PRO A 44 13.853 -5.844 -6.616 1.00 0.00 C ATOM 633 CG PRO A 44 14.014 -4.830 -5.537 1.00 0.00 C ATOM 634 CD PRO A 44 13.277 -3.606 -6.005 1.00 0.00 C ATOM 0 HA PRO A 44 12.396 -5.774 -8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.920 -6.857 -6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.632 -5.745 -7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.605 -5.195 -4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.067 -4.609 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.836 -3.059 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.938 -2.914 -6.526 1.00 0.00 H new ATOM 642 N SER A 45 11.318 -7.699 -7.055 1.00 0.00 N ATOM 643 CA SER A 45 10.356 -8.659 -6.525 1.00 0.00 C ATOM 644 C SER A 45 10.910 -9.356 -5.286 1.00 0.00 C ATOM 645 O SER A 45 10.155 -9.870 -4.462 1.00 0.00 O ATOM 646 CB SER A 45 9.999 -9.696 -7.591 1.00 0.00 C ATOM 647 OG SER A 45 8.691 -10.204 -7.391 1.00 0.00 O ATOM 0 H SER A 45 11.886 -8.052 -7.825 1.00 0.00 H new ATOM 0 HA SER A 45 9.455 -8.115 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.070 -9.244 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.719 -10.514 -7.562 1.00 0.00 H new ATOM 0 HG SER A 45 8.486 -10.864 -8.086 1.00 0.00 H new ATOM 653 N GLU A 46 12.234 -9.367 -5.164 1.00 0.00 N ATOM 654 CA GLU A 46 12.889 -10.002 -4.026 1.00 0.00 C ATOM 655 C GLU A 46 12.288 -9.515 -2.711 1.00 0.00 C ATOM 656 O GLU A 46 11.577 -8.512 -2.675 1.00 0.00 O ATOM 657 CB GLU A 46 14.392 -9.715 -4.050 1.00 0.00 C ATOM 658 CG GLU A 46 15.094 -10.252 -5.285 1.00 0.00 C ATOM 659 CD GLU A 46 16.378 -9.507 -5.597 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.359 -9.675 -4.842 1.00 0.00 O ATOM 661 OE2 GLU A 46 16.402 -8.757 -6.595 1.00 0.00 O ATOM 0 H GLU A 46 12.873 -8.944 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 46 12.730 -11.078 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.549 -8.638 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.851 -10.151 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.318 -11.309 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.421 -10.183 -6.140 1.00 0.00 H new ATOM 668 N ASN A 47 12.580 -10.233 -1.631 1.00 0.00 N ATOM 669 CA ASN A 47 12.068 -9.876 -0.313 1.00 0.00 C ATOM 670 C ASN A 47 12.984 -8.866 0.371 1.00 0.00 C ATOM 671 O ASN A 47 13.958 -9.239 1.023 1.00 0.00 O ATOM 672 CB ASN A 47 11.927 -11.125 0.558 1.00 0.00 C ATOM 673 CG ASN A 47 13.054 -12.115 0.336 1.00 0.00 C ATOM 674 OD1 ASN A 47 12.903 -12.967 -0.672 1.00 0.00 O flip ATOM 675 ND2 ASN A 47 14.048 -12.114 1.062 1.00 0.00 N flip ATOM 0 H ASN A 47 13.169 -11.066 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 47 11.087 -9.420 -0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.906 -10.832 1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.974 -11.609 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.122 -11.441 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.798 -12.786 0.901 1.00 0.00 H new ATOM 682 N ASN A 48 12.664 -7.585 0.216 1.00 0.00 N ATOM 683 CA ASN A 48 13.459 -6.521 0.819 1.00 0.00 C ATOM 684 C ASN A 48 12.611 -5.274 1.050 1.00 0.00 C ATOM 685 O ASN A 48 11.483 -5.178 0.566 1.00 0.00 O ATOM 686 CB ASN A 48 14.655 -6.181 -0.073 1.00 0.00 C ATOM 687 CG ASN A 48 14.280 -5.254 -1.213 1.00 0.00 C ATOM 688 OD1 ASN A 48 13.194 -5.359 -1.782 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.181 -4.339 -1.552 1.00 0.00 N ATOM 0 H ASN A 48 11.861 -7.259 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 48 13.823 -6.875 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.434 -5.714 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.075 -7.101 -0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.985 -3.687 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.069 -4.288 -1.053 1.00 0.00 H new ATOM 696 N LYS A 49 13.163 -4.319 1.792 1.00 0.00 N ATOM 697 CA LYS A 49 12.460 -3.076 2.086 1.00 0.00 C ATOM 698 C LYS A 49 13.413 -1.886 2.029 1.00 0.00 C ATOM 699 O LYS A 49 14.612 -2.026 2.271 1.00 0.00 O ATOM 700 CB LYS A 49 11.804 -3.152 3.466 1.00 0.00 C ATOM 701 CG LYS A 49 12.786 -3.423 4.593 1.00 0.00 C ATOM 702 CD LYS A 49 12.070 -3.826 5.871 1.00 0.00 C ATOM 703 CE LYS A 49 11.693 -2.611 6.705 1.00 0.00 C ATOM 704 NZ LYS A 49 12.893 -1.851 7.153 1.00 0.00 N ATOM 0 H LYS A 49 14.095 -4.383 2.201 1.00 0.00 H new ATOM 0 HA LYS A 49 11.687 -2.937 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.286 -2.214 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.049 -3.938 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.474 -4.214 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.386 -2.532 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.172 -4.392 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.711 -4.486 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.046 -1.956 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.120 -2.932 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.670 -1.335 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.676 -2.512 7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.171 -1.174 6.414 1.00 0.00 H new ATOM 718 N LEU A 50 12.871 -0.716 1.709 1.00 0.00 N ATOM 719 CA LEU A 50 13.673 0.500 1.622 1.00 0.00 C ATOM 720 C LEU A 50 12.797 1.741 1.758 1.00 0.00 C ATOM 721 O LEU A 50 11.681 1.787 1.240 1.00 0.00 O ATOM 722 CB LEU A 50 14.432 0.540 0.295 1.00 0.00 C ATOM 723 CG LEU A 50 15.319 1.764 0.066 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.466 1.424 -0.874 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.499 2.921 -0.487 1.00 0.00 C ATOM 0 H LEU A 50 11.880 -0.583 1.506 1.00 0.00 H new ATOM 0 HA LEU A 50 14.390 0.492 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.054 -0.352 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.707 0.484 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 50 15.740 2.068 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 50 17.087 2.307 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.069 0.627 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.065 1.094 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 50 15.147 3.784 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 50 14.049 2.628 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.713 3.181 0.222 1.00 0.00 H new ATOM 737 N THR A 51 13.311 2.749 2.457 1.00 0.00 N ATOM 738 CA THR A 51 12.576 3.991 2.660 1.00 0.00 C ATOM 739 C THR A 51 12.779 4.947 1.490 1.00 0.00 C ATOM 740 O THR A 51 13.850 5.534 1.333 1.00 0.00 O ATOM 741 CB THR A 51 13.007 4.692 3.961 1.00 0.00 C ATOM 742 OG1 THR A 51 12.873 3.795 5.069 1.00 0.00 O ATOM 743 CG2 THR A 51 12.170 5.938 4.208 1.00 0.00 C ATOM 0 H THR A 51 14.233 2.729 2.892 1.00 0.00 H new ATOM 0 HA THR A 51 11.521 3.726 2.731 1.00 0.00 H new ATOM 0 HB THR A 51 14.051 4.989 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.151 4.248 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.493 6.416 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.297 6.632 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.119 5.660 4.291 1.00 0.00 H new ATOM 751 N TYR A 52 11.745 5.100 0.671 1.00 0.00 N ATOM 752 CA TYR A 52 11.810 5.984 -0.487 1.00 0.00 C ATOM 753 C TYR A 52 11.073 7.292 -0.216 1.00 0.00 C ATOM 754 O TYR A 52 9.905 7.291 0.171 1.00 0.00 O ATOM 755 CB TYR A 52 11.214 5.295 -1.716 1.00 0.00 C ATOM 756 CG TYR A 52 11.833 5.743 -3.021 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.891 7.090 -3.358 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.358 4.820 -3.916 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.455 7.504 -4.550 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.925 5.225 -5.109 1.00 0.00 C ATOM 761 CZ TYR A 52 12.971 6.568 -5.421 1.00 0.00 C ATOM 762 OH TYR A 52 13.533 6.975 -6.609 1.00 0.00 O ATOM 0 H TYR A 52 10.851 4.623 0.787 1.00 0.00 H new ATOM 0 HA TYR A 52 12.858 6.212 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.340 4.217 -1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.142 5.489 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.489 7.826 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.322 3.768 -3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.491 8.555 -4.798 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.330 4.494 -5.793 1.00 0.00 H new ATOM 0 HH TYR A 52 13.850 6.192 -7.106 1.00 0.00 H new ATOM 772 N SER A 53 11.766 8.408 -0.422 1.00 0.00 N ATOM 773 CA SER A 53 11.180 9.724 -0.197 1.00 0.00 C ATOM 774 C SER A 53 10.878 10.418 -1.522 1.00 0.00 C ATOM 775 O SER A 53 11.788 10.799 -2.258 1.00 0.00 O ATOM 776 CB SER A 53 12.123 10.589 0.641 1.00 0.00 C ATOM 777 OG SER A 53 13.378 10.744 0.000 1.00 0.00 O ATOM 0 H SER A 53 12.734 8.427 -0.744 1.00 0.00 H new ATOM 0 HA SER A 53 10.244 9.590 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.673 11.568 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.265 10.133 1.621 1.00 0.00 H new ATOM 0 HG SER A 53 13.240 10.891 -0.959 1.00 0.00 H new ATOM 783 N HIS A 54 9.592 10.577 -1.820 1.00 0.00 N ATOM 784 CA HIS A 54 9.168 11.225 -3.056 1.00 0.00 C ATOM 785 C HIS A 54 8.328 12.464 -2.759 1.00 0.00 C ATOM 786 O HIS A 54 7.247 12.369 -2.180 1.00 0.00 O ATOM 787 CB HIS A 54 8.371 10.249 -3.921 1.00 0.00 C ATOM 788 CG HIS A 54 7.972 10.814 -5.249 1.00 0.00 C ATOM 789 ND1 HIS A 54 6.989 11.770 -5.396 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.430 10.553 -6.496 1.00 0.00 C ATOM 791 CE1 HIS A 54 6.860 12.072 -6.676 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.723 11.348 -7.365 1.00 0.00 N ATOM 0 H HIS A 54 8.826 10.266 -1.223 1.00 0.00 H new ATOM 0 HA HIS A 54 10.060 11.535 -3.600 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.966 9.350 -4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.474 9.946 -3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.207 9.850 -6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.166 12.789 -7.089 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.845 11.375 -8.377 1.00 0.00 H new ATOM 801 N GLY A 55 8.834 13.626 -3.161 1.00 0.00 N ATOM 802 CA GLY A 55 8.118 14.867 -2.928 1.00 0.00 C ATOM 803 C GLY A 55 7.856 15.118 -1.457 1.00 0.00 C ATOM 804 O GLY A 55 8.632 14.696 -0.600 1.00 0.00 O ATOM 0 H GLY A 55 9.727 13.730 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.693 15.697 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.169 14.841 -3.464 1.00 0.00 H new ATOM 808 N ASN A 56 6.758 15.808 -1.162 1.00 0.00 N ATOM 809 CA ASN A 56 6.397 16.116 0.217 1.00 0.00 C ATOM 810 C ASN A 56 5.627 14.961 0.849 1.00 0.00 C ATOM 811 O ASN A 56 4.633 15.171 1.545 1.00 0.00 O ATOM 812 CB ASN A 56 5.557 17.394 0.272 1.00 0.00 C ATOM 813 CG ASN A 56 5.461 17.963 1.674 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.463 18.074 2.381 1.00 0.00 O ATOM 815 ND2 ASN A 56 4.251 18.326 2.084 1.00 0.00 N ATOM 0 H ASN A 56 6.104 16.164 -1.859 1.00 0.00 H new ATOM 0 HA ASN A 56 7.317 16.268 0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.993 18.141 -0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.555 17.183 -0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.124 18.715 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.448 18.216 1.464 1.00 0.00 H new ATOM 822 N TYR A 57 6.092 13.742 0.601 1.00 0.00 N ATOM 823 CA TYR A 57 5.447 12.552 1.144 1.00 0.00 C ATOM 824 C TYR A 57 6.452 11.417 1.316 1.00 0.00 C ATOM 825 O TYR A 57 7.566 11.474 0.794 1.00 0.00 O ATOM 826 CB TYR A 57 4.305 12.104 0.231 1.00 0.00 C ATOM 827 CG TYR A 57 3.037 12.907 0.408 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.905 14.169 -0.159 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.970 12.405 1.142 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.748 14.907 0.000 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.808 13.135 1.306 1.00 0.00 C ATOM 832 CZ TYR A 57 0.703 14.386 0.733 1.00 0.00 C ATOM 833 OH TYR A 57 -0.452 15.117 0.895 1.00 0.00 O ATOM 0 H TYR A 57 6.914 13.552 0.027 1.00 0.00 H new ATOM 0 HA TYR A 57 5.042 12.805 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.630 12.179 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.089 11.053 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.721 14.580 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.050 11.427 1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.663 15.886 -0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.013 12.729 1.879 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.089 14.606 1.437 1.00 0.00 H new ATOM 843 N LEU A 58 6.050 10.386 2.051 1.00 0.00 N ATOM 844 CA LEU A 58 6.914 9.236 2.292 1.00 0.00 C ATOM 845 C LEU A 58 6.392 8.001 1.564 1.00 0.00 C ATOM 846 O LEU A 58 5.185 7.764 1.508 1.00 0.00 O ATOM 847 CB LEU A 58 7.013 8.953 3.792 1.00 0.00 C ATOM 848 CG LEU A 58 7.484 10.117 4.665 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.358 9.765 6.139 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.919 10.492 4.325 1.00 0.00 C ATOM 0 H LEU A 58 5.132 10.323 2.490 1.00 0.00 H new ATOM 0 HA LEU A 58 7.906 9.471 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.033 8.632 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.695 8.115 3.939 1.00 0.00 H new ATOM 0 HG LEU A 58 6.847 10.978 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.698 10.605 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.316 9.547 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.970 8.890 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.237 11.322 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.570 9.635 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.979 10.788 3.278 1.00 0.00 H new ATOM 862 N PHE A 59 7.310 7.216 1.009 1.00 0.00 N ATOM 863 CA PHE A 59 6.943 6.005 0.285 1.00 0.00 C ATOM 864 C PHE A 59 7.578 4.775 0.927 1.00 0.00 C ATOM 865 O PHE A 59 8.742 4.461 0.677 1.00 0.00 O ATOM 866 CB PHE A 59 7.374 6.110 -1.179 1.00 0.00 C ATOM 867 CG PHE A 59 6.475 6.983 -2.007 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.246 8.302 -1.649 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.860 6.486 -3.145 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.419 9.107 -2.408 1.00 0.00 C ATOM 871 CE2 PHE A 59 5.032 7.287 -3.909 1.00 0.00 C ATOM 872 CZ PHE A 59 4.812 8.600 -3.541 1.00 0.00 C ATOM 0 H PHE A 59 8.313 7.397 1.047 1.00 0.00 H new ATOM 0 HA PHE A 59 5.859 5.899 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.390 6.503 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.399 5.111 -1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.720 8.705 -0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.030 5.461 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.247 10.132 -2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.558 6.887 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.167 9.229 -4.137 1.00 0.00 H new ATOM 882 N HIS A 60 6.804 4.081 1.756 1.00 0.00 N ATOM 883 CA HIS A 60 7.290 2.885 2.435 1.00 0.00 C ATOM 884 C HIS A 60 6.783 1.624 1.742 1.00 0.00 C ATOM 885 O HIS A 60 5.585 1.342 1.743 1.00 0.00 O ATOM 886 CB HIS A 60 6.849 2.889 3.899 1.00 0.00 C ATOM 887 CG HIS A 60 7.018 4.216 4.572 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.250 4.760 4.865 1.00 0.00 N ATOM 889 CD2 HIS A 60 6.100 5.111 5.007 1.00 0.00 C ATOM 890 CE1 HIS A 60 8.084 5.931 5.454 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.788 6.167 5.552 1.00 0.00 N ATOM 0 H HIS A 60 5.838 4.326 1.974 1.00 0.00 H new ATOM 0 HA HIS A 60 8.379 2.890 2.392 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.801 2.593 3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.422 2.139 4.444 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.027 5.013 4.938 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.873 6.584 5.797 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.367 6.999 5.965 1.00 0.00 H new ATOM 900 N TYR A 61 7.703 0.870 1.150 1.00 0.00 N ATOM 901 CA TYR A 61 7.349 -0.360 0.450 1.00 0.00 C ATOM 902 C TYR A 61 7.988 -1.572 1.121 1.00 0.00 C ATOM 903 O TYR A 61 9.171 -1.553 1.463 1.00 0.00 O ATOM 904 CB TYR A 61 7.786 -0.282 -1.013 1.00 0.00 C ATOM 905 CG TYR A 61 9.200 -0.765 -1.249 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.539 -2.100 -1.067 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.196 0.115 -1.654 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.829 -2.544 -1.280 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.489 -0.321 -1.871 1.00 0.00 C ATOM 910 CZ TYR A 61 11.801 -1.651 -1.683 1.00 0.00 C ATOM 911 OH TYR A 61 13.087 -2.091 -1.898 1.00 0.00 O ATOM 0 H TYR A 61 8.699 1.089 1.141 1.00 0.00 H new ATOM 0 HA TYR A 61 6.266 -0.474 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.102 -0.875 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.702 0.750 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.781 -2.802 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.955 1.157 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.076 -3.585 -1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.251 0.376 -2.186 1.00 0.00 H new ATOM 0 HH TYR A 61 13.071 -3.039 -2.146 1.00 0.00 H new ATOM 921 N ILE A 62 7.198 -2.624 1.304 1.00 0.00 N ATOM 922 CA ILE A 62 7.686 -3.845 1.931 1.00 0.00 C ATOM 923 C ILE A 62 7.487 -5.050 1.018 1.00 0.00 C ATOM 924 O ILE A 62 6.427 -5.677 1.022 1.00 0.00 O ATOM 925 CB ILE A 62 6.978 -4.111 3.273 1.00 0.00 C ATOM 926 CG1 ILE A 62 7.239 -2.962 4.249 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.444 -5.432 3.866 1.00 0.00 C ATOM 928 CD1 ILE A 62 6.339 -2.984 5.464 1.00 0.00 C ATOM 0 H ILE A 62 6.217 -2.655 1.027 1.00 0.00 H new ATOM 0 HA ILE A 62 8.751 -3.701 2.113 1.00 0.00 H new ATOM 0 HB ILE A 62 5.905 -4.174 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.278 -3.003 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.106 -2.015 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.934 -5.605 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.212 -6.243 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.520 -5.396 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.581 -2.141 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.298 -2.912 5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.488 -3.915 6.011 1.00 0.00 H new ATOM 940 N CYS A 63 8.513 -5.368 0.236 1.00 0.00 N ATOM 941 CA CYS A 63 8.452 -6.499 -0.683 1.00 0.00 C ATOM 942 C CYS A 63 8.496 -7.821 0.077 1.00 0.00 C ATOM 943 O CYS A 63 9.246 -7.968 1.041 1.00 0.00 O ATOM 944 CB CYS A 63 9.608 -6.434 -1.682 1.00 0.00 C ATOM 945 SG CYS A 63 9.344 -5.269 -3.040 1.00 0.00 S ATOM 0 H CYS A 63 9.397 -4.859 0.220 1.00 0.00 H new ATOM 0 HA CYS A 63 7.508 -6.443 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.518 -6.156 -1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.772 -7.428 -2.097 1.00 0.00 H new ATOM 0 HG CYS A 63 9.972 -5.687 -4.099 1.00 0.00 H new ATOM 951 N GLN A 64 7.685 -8.777 -0.362 1.00 0.00 N ATOM 952 CA GLN A 64 7.629 -10.086 0.279 1.00 0.00 C ATOM 953 C GLN A 64 6.765 -11.051 -0.527 1.00 0.00 C ATOM 954 O GLN A 64 5.617 -10.748 -0.851 1.00 0.00 O ATOM 955 CB GLN A 64 7.081 -9.958 1.701 1.00 0.00 C ATOM 956 CG GLN A 64 6.939 -11.289 2.421 1.00 0.00 C ATOM 957 CD GLN A 64 8.277 -11.903 2.782 1.00 0.00 C ATOM 958 OE1 GLN A 64 9.154 -12.055 1.930 1.00 0.00 O ATOM 959 NE2 GLN A 64 8.442 -12.260 4.050 1.00 0.00 N ATOM 0 H GLN A 64 7.057 -8.670 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 64 8.643 -10.485 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.741 -9.311 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.108 -9.469 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.353 -11.146 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.384 -11.982 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.689 -12.116 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.322 -12.678 4.352 1.00 0.00 H new ATOM 968 N ASP A 65 7.325 -12.212 -0.847 1.00 0.00 N ATOM 969 CA ASP A 65 6.605 -13.222 -1.614 1.00 0.00 C ATOM 970 C ASP A 65 6.294 -12.717 -3.019 1.00 0.00 C ATOM 971 O ASP A 65 5.253 -13.044 -3.590 1.00 0.00 O ATOM 972 CB ASP A 65 5.310 -13.610 -0.899 1.00 0.00 C ATOM 973 CG ASP A 65 4.902 -15.043 -1.176 1.00 0.00 C ATOM 974 OD1 ASP A 65 5.352 -15.942 -0.435 1.00 0.00 O ATOM 975 OD2 ASP A 65 4.134 -15.266 -2.135 1.00 0.00 O ATOM 0 H ASP A 65 8.275 -12.477 -0.587 1.00 0.00 H new ATOM 0 HA ASP A 65 7.242 -14.103 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.436 -13.473 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.510 -12.940 -1.214 1.00 0.00 H new ATOM 980 N ARG A 66 7.201 -11.917 -3.570 1.00 0.00 N ATOM 981 CA ARG A 66 7.021 -11.365 -4.907 1.00 0.00 C ATOM 982 C ARG A 66 5.871 -10.363 -4.932 1.00 0.00 C ATOM 983 O ARG A 66 5.243 -10.149 -5.970 1.00 0.00 O ATOM 984 CB ARG A 66 6.757 -12.486 -5.914 1.00 0.00 C ATOM 985 CG ARG A 66 7.777 -13.612 -5.853 1.00 0.00 C ATOM 986 CD ARG A 66 9.088 -13.212 -6.511 1.00 0.00 C ATOM 987 NE ARG A 66 10.186 -14.095 -6.127 1.00 0.00 N ATOM 988 CZ ARG A 66 10.331 -15.331 -6.593 1.00 0.00 C ATOM 989 NH1 ARG A 66 9.455 -15.826 -7.455 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.357 -16.074 -6.195 1.00 0.00 N ATOM 0 H ARG A 66 8.068 -11.637 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 66 7.938 -10.846 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.763 -12.897 -5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.752 -12.066 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.959 -13.884 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.375 -14.496 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.970 -13.231 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.334 -12.187 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 66 10.879 -13.744 -5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.666 -15.258 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.570 -16.775 -7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.033 -15.696 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.469 -17.023 -6.552 1.00 0.00 H new ATOM 1004 N ILE A 67 5.599 -9.753 -3.783 1.00 0.00 N ATOM 1005 CA ILE A 67 4.525 -8.774 -3.673 1.00 0.00 C ATOM 1006 C ILE A 67 5.027 -7.475 -3.054 1.00 0.00 C ATOM 1007 O ILE A 67 5.695 -7.485 -2.020 1.00 0.00 O ATOM 1008 CB ILE A 67 3.355 -9.314 -2.830 1.00 0.00 C ATOM 1009 CG1 ILE A 67 3.024 -10.751 -3.238 1.00 0.00 C ATOM 1010 CG2 ILE A 67 2.134 -8.420 -2.983 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.513 -10.874 -4.657 1.00 0.00 C ATOM 0 H ILE A 67 6.108 -9.920 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 67 4.172 -8.578 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 67 3.652 -9.313 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.917 -11.366 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.275 -11.151 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.316 -8.815 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.377 -7.412 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.833 -8.391 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.299 -11.920 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.602 -10.286 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.270 -10.505 -5.349 1.00 0.00 H new ATOM 1023 N VAL A 68 4.698 -6.356 -3.691 1.00 0.00 N ATOM 1024 CA VAL A 68 5.112 -5.046 -3.201 1.00 0.00 C ATOM 1025 C VAL A 68 3.940 -4.296 -2.580 1.00 0.00 C ATOM 1026 O VAL A 68 2.875 -4.176 -3.186 1.00 0.00 O ATOM 1027 CB VAL A 68 5.716 -4.190 -4.330 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.134 -2.826 -3.801 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.895 -4.907 -4.970 1.00 0.00 C ATOM 0 H VAL A 68 4.146 -6.330 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 68 5.873 -5.219 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 68 4.954 -4.039 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.558 -2.235 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.264 -2.311 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.880 -2.953 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.309 -4.288 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.661 -5.091 -4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.560 -5.857 -5.387 1.00 0.00 H new ATOM 1039 N TYR A 69 4.143 -3.791 -1.368 1.00 0.00 N ATOM 1040 CA TYR A 69 3.102 -3.053 -0.663 1.00 0.00 C ATOM 1041 C TYR A 69 3.516 -1.601 -0.445 1.00 0.00 C ATOM 1042 O TYR A 69 4.234 -1.284 0.505 1.00 0.00 O ATOM 1043 CB TYR A 69 2.798 -3.717 0.681 1.00 0.00 C ATOM 1044 CG TYR A 69 2.245 -5.118 0.554 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.084 -6.196 0.296 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.885 -5.365 0.690 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.583 -7.478 0.178 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.376 -6.644 0.575 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.229 -7.697 0.319 1.00 0.00 C ATOM 1050 OH TYR A 69 0.725 -8.972 0.202 1.00 0.00 O ATOM 0 H TYR A 69 5.019 -3.879 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 69 2.202 -3.066 -1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.711 -3.749 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.083 -3.102 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.145 -6.028 0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.214 -4.543 0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.248 -8.304 -0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.684 -6.818 0.685 1.00 0.00 H new ATOM 0 HH TYR A 69 0.423 -9.286 1.080 1.00 0.00 H new ATOM 1060 N LEU A 70 3.058 -0.723 -1.329 1.00 0.00 N ATOM 1061 CA LEU A 70 3.379 0.697 -1.234 1.00 0.00 C ATOM 1062 C LEU A 70 2.228 1.475 -0.603 1.00 0.00 C ATOM 1063 O LEU A 70 1.060 1.130 -0.786 1.00 0.00 O ATOM 1064 CB LEU A 70 3.692 1.263 -2.621 1.00 0.00 C ATOM 1065 CG LEU A 70 4.524 2.546 -2.650 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.394 2.590 -3.896 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.620 3.768 -2.585 1.00 0.00 C ATOM 0 H LEU A 70 2.463 -0.969 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 70 4.257 0.804 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.219 0.499 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.750 1.453 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 70 5.176 2.554 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.979 3.510 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.067 1.732 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.761 2.559 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.228 4.672 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.943 3.766 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.040 3.743 -1.662 1.00 0.00 H new ATOM 1079 N CYS A 71 2.567 2.525 0.136 1.00 0.00 N ATOM 1080 CA CYS A 71 1.561 3.353 0.793 1.00 0.00 C ATOM 1081 C CYS A 71 2.071 4.777 0.985 1.00 0.00 C ATOM 1082 O CYS A 71 3.229 4.989 1.347 1.00 0.00 O ATOM 1083 CB CYS A 71 1.178 2.749 2.145 1.00 0.00 C ATOM 1084 SG CYS A 71 2.435 2.954 3.429 1.00 0.00 S ATOM 0 H CYS A 71 3.529 2.823 0.296 1.00 0.00 H new ATOM 0 HA CYS A 71 0.678 3.385 0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.249 3.207 2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.980 1.685 2.012 1.00 0.00 H new ATOM 0 HG CYS A 71 3.271 3.884 3.073 1.00 0.00 H new ATOM 1090 N ILE A 72 1.200 5.750 0.738 1.00 0.00 N ATOM 1091 CA ILE A 72 1.563 7.154 0.883 1.00 0.00 C ATOM 1092 C ILE A 72 1.042 7.724 2.198 1.00 0.00 C ATOM 1093 O ILE A 72 -0.156 7.673 2.479 1.00 0.00 O ATOM 1094 CB ILE A 72 1.016 8.000 -0.282 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.634 7.545 -1.606 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.295 9.476 -0.041 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.754 7.812 -2.807 1.00 0.00 C ATOM 0 H ILE A 72 0.238 5.592 0.437 1.00 0.00 H new ATOM 0 HA ILE A 72 2.652 7.200 0.876 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.063 7.858 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.589 8.052 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.845 6.477 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.903 10.061 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.812 9.791 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.370 9.635 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.255 7.464 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.192 7.283 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.563 8.882 -2.888 1.00 0.00 H new ATOM 1109 N THR A 73 1.950 8.268 3.002 1.00 0.00 N ATOM 1110 CA THR A 73 1.583 8.848 4.288 1.00 0.00 C ATOM 1111 C THR A 73 2.154 10.253 4.440 1.00 0.00 C ATOM 1112 O THR A 73 2.906 10.724 3.586 1.00 0.00 O ATOM 1113 CB THR A 73 2.076 7.977 5.459 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.508 7.939 5.472 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.528 6.562 5.349 1.00 0.00 C ATOM 0 H THR A 73 2.945 8.319 2.785 1.00 0.00 H new ATOM 0 HA THR A 73 0.494 8.896 4.314 1.00 0.00 H new ATOM 0 HB THR A 73 1.716 8.418 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.814 7.385 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.890 5.966 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.439 6.591 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.863 6.114 4.413 1.00 0.00 H new ATOM 1123 N ASP A 74 1.793 10.918 5.532 1.00 0.00 N ATOM 1124 CA ASP A 74 2.271 12.270 5.797 1.00 0.00 C ATOM 1125 C ASP A 74 3.729 12.253 6.244 1.00 0.00 C ATOM 1126 O ASP A 74 4.153 11.362 6.980 1.00 0.00 O ATOM 1127 CB ASP A 74 1.405 12.940 6.865 1.00 0.00 C ATOM 1128 CG ASP A 74 1.824 14.372 7.136 1.00 0.00 C ATOM 1129 OD1 ASP A 74 2.058 15.117 6.161 1.00 0.00 O ATOM 1130 OD2 ASP A 74 1.918 14.747 8.323 1.00 0.00 O ATOM 0 H ASP A 74 1.171 10.543 6.248 1.00 0.00 H new ATOM 0 HA ASP A 74 2.200 12.842 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.363 12.924 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.465 12.366 7.790 1.00 0.00 H new ATOM 1135 N ASP A 75 4.492 13.243 5.793 1.00 0.00 N ATOM 1136 CA ASP A 75 5.904 13.342 6.146 1.00 0.00 C ATOM 1137 C ASP A 75 6.102 13.165 7.648 1.00 0.00 C ATOM 1138 O ASP A 75 6.828 12.274 8.088 1.00 0.00 O ATOM 1139 CB ASP A 75 6.470 14.691 5.700 1.00 0.00 C ATOM 1140 CG ASP A 75 6.821 14.712 4.225 1.00 0.00 C ATOM 1141 OD1 ASP A 75 7.408 13.722 3.741 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.511 15.720 3.555 1.00 0.00 O ATOM 0 H ASP A 75 4.157 13.988 5.182 1.00 0.00 H new ATOM 0 HA ASP A 75 6.439 12.544 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.741 15.474 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.360 14.920 6.286 1.00 0.00 H new ATOM 1147 N ASP A 76 5.452 14.021 8.430 1.00 0.00 N ATOM 1148 CA ASP A 76 5.557 13.959 9.883 1.00 0.00 C ATOM 1149 C ASP A 76 5.270 12.549 10.389 1.00 0.00 C ATOM 1150 O ASP A 76 5.940 12.056 11.296 1.00 0.00 O ATOM 1151 CB ASP A 76 4.589 14.953 10.528 1.00 0.00 C ATOM 1152 CG ASP A 76 4.878 15.171 12.000 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.984 14.169 12.738 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.997 16.343 12.414 1.00 0.00 O ATOM 0 H ASP A 76 4.847 14.765 8.082 1.00 0.00 H new ATOM 0 HA ASP A 76 6.577 14.224 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.650 15.907 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.568 14.589 10.411 1.00 0.00 H new ATOM 1159 N PHE A 77 4.268 11.906 9.798 1.00 0.00 N ATOM 1160 CA PHE A 77 3.891 10.553 10.191 1.00 0.00 C ATOM 1161 C PHE A 77 5.126 9.711 10.495 1.00 0.00 C ATOM 1162 O PHE A 77 6.113 9.751 9.761 1.00 0.00 O ATOM 1163 CB PHE A 77 3.067 9.890 9.085 1.00 0.00 C ATOM 1164 CG PHE A 77 2.212 8.756 9.574 1.00 0.00 C ATOM 1165 CD1 PHE A 77 1.190 8.982 10.482 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.430 7.463 9.125 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.401 7.940 10.933 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.644 6.418 9.572 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.629 6.656 10.478 1.00 0.00 C ATOM 0 H PHE A 77 3.703 12.300 9.046 1.00 0.00 H new ATOM 0 HA PHE A 77 3.287 10.619 11.096 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.429 10.641 8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.741 9.520 8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.008 9.984 10.842 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.223 7.270 8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.393 8.130 11.640 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.823 5.415 9.213 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.015 5.840 10.830 1.00 0.00 H new ATOM 1179 N GLU A 78 5.062 8.948 11.582 1.00 0.00 N ATOM 1180 CA GLU A 78 6.176 8.097 11.984 1.00 0.00 C ATOM 1181 C GLU A 78 6.259 6.856 11.099 1.00 0.00 C ATOM 1182 O GLU A 78 5.286 6.481 10.445 1.00 0.00 O ATOM 1183 CB GLU A 78 6.027 7.683 13.449 1.00 0.00 C ATOM 1184 CG GLU A 78 7.295 7.096 14.047 1.00 0.00 C ATOM 1185 CD GLU A 78 7.352 7.245 15.555 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.698 8.348 16.030 1.00 0.00 O ATOM 1187 OE2 GLU A 78 7.051 6.260 16.261 1.00 0.00 O ATOM 0 H GLU A 78 4.251 8.902 12.199 1.00 0.00 H new ATOM 0 HA GLU A 78 7.097 8.668 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.727 8.552 14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.224 6.951 13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.359 6.039 13.787 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.162 7.586 13.604 1.00 0.00 H new ATOM 1194 N ARG A 79 7.428 6.225 11.085 1.00 0.00 N ATOM 1195 CA ARG A 79 7.640 5.028 10.280 1.00 0.00 C ATOM 1196 C ARG A 79 6.996 3.810 10.936 1.00 0.00 C ATOM 1197 O ARG A 79 6.384 2.981 10.263 1.00 0.00 O ATOM 1198 CB ARG A 79 9.136 4.780 10.080 1.00 0.00 C ATOM 1199 CG ARG A 79 9.723 5.524 8.891 1.00 0.00 C ATOM 1200 CD ARG A 79 11.191 5.181 8.689 1.00 0.00 C ATOM 1201 NE ARG A 79 11.933 6.286 8.088 1.00 0.00 N ATOM 1202 CZ ARG A 79 12.451 7.289 8.788 1.00 0.00 C ATOM 1203 NH1 ARG A 79 12.308 7.327 10.105 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.114 8.258 8.169 1.00 0.00 N ATOM 0 H ARG A 79 8.243 6.522 11.622 1.00 0.00 H new ATOM 0 HA ARG A 79 7.171 5.187 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.669 5.077 10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.304 3.711 9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.162 5.273 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.617 6.598 9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.639 4.923 9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.273 4.300 8.052 1.00 0.00 H new ATOM 0 HE ARG A 79 12.060 6.288 7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.799 6.584 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.707 8.099 10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.226 8.233 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.512 9.028 8.707 1.00 0.00 H new ATOM 1218 N SER A 80 7.138 3.710 12.254 1.00 0.00 N ATOM 1219 CA SER A 80 6.573 2.592 13.001 1.00 0.00 C ATOM 1220 C SER A 80 5.100 2.398 12.657 1.00 0.00 C ATOM 1221 O SER A 80 4.675 1.301 12.292 1.00 0.00 O ATOM 1222 CB SER A 80 6.731 2.824 14.505 1.00 0.00 C ATOM 1223 OG SER A 80 7.956 2.292 14.977 1.00 0.00 O ATOM 0 H SER A 80 7.639 4.389 12.826 1.00 0.00 H new ATOM 0 HA SER A 80 7.116 1.689 12.721 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.689 3.892 14.718 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.900 2.360 15.037 1.00 0.00 H new ATOM 0 HG SER A 80 8.034 2.455 15.940 1.00 0.00 H new ATOM 1229 N ARG A 81 4.324 3.470 12.776 1.00 0.00 N ATOM 1230 CA ARG A 81 2.898 3.419 12.479 1.00 0.00 C ATOM 1231 C ARG A 81 2.658 2.972 11.040 1.00 0.00 C ATOM 1232 O ARG A 81 1.967 1.984 10.793 1.00 0.00 O ATOM 1233 CB ARG A 81 2.257 4.788 12.713 1.00 0.00 C ATOM 1234 CG ARG A 81 1.899 5.052 14.166 1.00 0.00 C ATOM 1235 CD ARG A 81 3.061 5.679 14.921 1.00 0.00 C ATOM 1236 NE ARG A 81 2.805 5.753 16.357 1.00 0.00 N ATOM 1237 CZ ARG A 81 2.002 6.652 16.915 1.00 0.00 C ATOM 1238 NH1 ARG A 81 1.380 7.549 16.162 1.00 0.00 N ATOM 1239 NH2 ARG A 81 1.820 6.655 18.229 1.00 0.00 N ATOM 0 H ARG A 81 4.659 4.385 13.076 1.00 0.00 H new ATOM 0 HA ARG A 81 2.439 2.692 13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.941 5.564 12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.355 4.866 12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.033 5.713 14.214 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.613 4.117 14.647 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.965 5.096 14.744 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.246 6.681 14.534 1.00 0.00 H new ATOM 0 HE ARG A 81 3.268 5.077 16.965 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.518 7.550 15.151 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.764 8.238 16.593 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.297 5.967 18.811 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.203 7.346 18.657 1.00 0.00 H new ATOM 1253 N ALA A 82 3.233 3.707 10.094 1.00 0.00 N ATOM 1254 CA ALA A 82 3.083 3.386 8.680 1.00 0.00 C ATOM 1255 C ALA A 82 3.390 1.916 8.415 1.00 0.00 C ATOM 1256 O ALA A 82 2.542 1.173 7.923 1.00 0.00 O ATOM 1257 CB ALA A 82 3.985 4.276 7.838 1.00 0.00 C ATOM 0 H ALA A 82 3.807 4.529 10.281 1.00 0.00 H new ATOM 0 HA ALA A 82 2.046 3.570 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.863 4.025 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.716 5.320 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.024 4.121 8.130 1.00 0.00 H new ATOM 1263 N PHE A 83 4.610 1.503 8.744 1.00 0.00 N ATOM 1264 CA PHE A 83 5.031 0.122 8.540 1.00 0.00 C ATOM 1265 C PHE A 83 4.054 -0.847 9.199 1.00 0.00 C ATOM 1266 O PHE A 83 3.739 -1.900 8.647 1.00 0.00 O ATOM 1267 CB PHE A 83 6.438 -0.093 9.101 1.00 0.00 C ATOM 1268 CG PHE A 83 7.528 0.372 8.179 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.662 -0.173 6.912 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.420 1.354 8.579 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.665 0.253 6.062 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.425 1.784 7.733 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.547 1.233 6.473 1.00 0.00 C ATOM 0 H PHE A 83 5.324 2.105 9.153 1.00 0.00 H new ATOM 0 HA PHE A 83 5.042 -0.074 7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.526 0.435 10.051 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.579 -1.153 9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.975 -0.939 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.329 1.789 9.563 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.759 -0.180 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.114 2.550 8.057 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.331 1.568 5.810 1.00 0.00 H new ATOM 1283 N ASN A 84 3.579 -0.483 10.386 1.00 0.00 N ATOM 1284 CA ASN A 84 2.639 -1.319 11.123 1.00 0.00 C ATOM 1285 C ASN A 84 1.418 -1.647 10.269 1.00 0.00 C ATOM 1286 O ASN A 84 1.103 -2.815 10.040 1.00 0.00 O ATOM 1287 CB ASN A 84 2.201 -0.619 12.411 1.00 0.00 C ATOM 1288 CG ASN A 84 1.621 -1.585 13.426 1.00 0.00 C ATOM 1289 OD1 ASN A 84 2.352 -2.332 14.076 1.00 0.00 O ATOM 1290 ND2 ASN A 84 0.301 -1.573 13.566 1.00 0.00 N ATOM 0 H ASN A 84 3.830 0.386 10.858 1.00 0.00 H new ATOM 0 HA ASN A 84 3.144 -2.251 11.378 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.056 -0.105 12.850 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.458 0.143 12.173 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.147 -2.200 14.234 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.266 -0.936 13.006 1.00 0.00 H new ATOM 1297 N PHE A 85 0.734 -0.609 9.801 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.453 -0.786 8.972 1.00 0.00 C ATOM 1299 C PHE A 85 -0.156 -1.695 7.784 1.00 0.00 C ATOM 1300 O PHE A 85 -0.861 -2.677 7.547 1.00 0.00 O ATOM 1301 CB PHE A 85 -0.962 0.569 8.477 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.955 0.463 7.355 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -1.532 0.456 6.036 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -3.312 0.371 7.620 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -2.443 0.358 5.001 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -4.228 0.273 6.589 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.793 0.267 5.278 1.00 0.00 C ATOM 0 H PHE A 85 0.981 0.364 9.981 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.225 -1.255 9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.422 1.101 9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.114 1.168 8.145 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.478 0.528 5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.658 0.376 8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.100 0.353 3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.283 0.201 6.809 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.507 0.191 4.471 1.00 0.00 H new ATOM 1317 N LEU A 86 0.892 -1.362 7.039 1.00 0.00 N ATOM 1318 CA LEU A 86 1.283 -2.147 5.873 1.00 0.00 C ATOM 1319 C LEU A 86 1.435 -3.621 6.236 1.00 0.00 C ATOM 1320 O LEU A 86 0.943 -4.498 5.528 1.00 0.00 O ATOM 1321 CB LEU A 86 2.595 -1.615 5.293 1.00 0.00 C ATOM 1322 CG LEU A 86 2.575 -0.165 4.809 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.975 0.289 4.425 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.621 -0.007 3.634 1.00 0.00 C ATOM 0 H LEU A 86 1.487 -0.554 7.221 1.00 0.00 H new ATOM 0 HA LEU A 86 0.497 -2.055 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.371 -1.713 6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.884 -2.252 4.457 1.00 0.00 H new ATOM 0 HG LEU A 86 2.221 0.465 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.941 1.323 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.632 0.215 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.357 -0.345 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.620 1.032 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.944 -0.649 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.615 -0.291 3.942 1.00 0.00 H new ATOM 1336 N ASN A 87 2.118 -3.885 7.345 1.00 0.00 N ATOM 1337 CA ASN A 87 2.333 -5.252 7.803 1.00 0.00 C ATOM 1338 C ASN A 87 1.004 -5.957 8.055 1.00 0.00 C ATOM 1339 O ASN A 87 0.835 -7.126 7.709 1.00 0.00 O ATOM 1340 CB ASN A 87 3.176 -5.258 9.080 1.00 0.00 C ATOM 1341 CG ASN A 87 4.004 -6.521 9.221 1.00 0.00 C ATOM 1342 OD1 ASN A 87 3.586 -7.601 8.802 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.186 -6.391 9.813 1.00 0.00 N ATOM 0 H ASN A 87 2.532 -3.170 7.943 1.00 0.00 H new ATOM 0 HA ASN A 87 2.867 -5.791 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.837 -4.392 9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.521 -5.158 9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.787 -7.206 9.936 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.492 -5.476 10.145 1.00 0.00 H new ATOM 1350 N GLU A 88 0.064 -5.237 8.659 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.251 -5.794 8.957 1.00 0.00 C ATOM 1352 C GLU A 88 -1.937 -6.280 7.684 1.00 0.00 C ATOM 1353 O GLU A 88 -2.125 -7.481 7.488 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.125 -4.751 9.655 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.657 -4.403 11.058 1.00 0.00 C ATOM 1356 CD GLU A 88 -1.800 -5.563 12.025 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.877 -6.195 12.038 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -0.835 -5.837 12.768 1.00 0.00 O ATOM 0 H GLU A 88 0.188 -4.268 8.951 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.114 -6.646 9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.144 -3.843 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.149 -5.122 9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.613 -4.091 11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.231 -3.553 11.428 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.308 -5.339 6.823 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.973 -5.670 5.569 1.00 0.00 C ATOM 1367 C ILE A 89 -2.117 -6.607 4.724 1.00 0.00 C ATOM 1368 O ILE A 89 -2.630 -7.515 4.069 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.293 -4.406 4.750 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.046 -3.530 4.615 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.427 -3.627 5.400 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.275 -2.272 3.807 1.00 0.00 C ATOM 0 H ILE A 89 -2.159 -4.341 6.971 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.906 -6.170 5.829 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.611 -4.708 3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.696 -3.254 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.252 -4.112 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.642 -2.736 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.318 -4.253 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.135 -3.332 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.348 -1.700 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.595 -2.540 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.047 -1.668 4.285 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.807 -6.382 4.744 1.00 0.00 N ATOM 1385 CA LYS A 90 0.123 -7.206 3.982 1.00 0.00 C ATOM 1386 C LYS A 90 -0.070 -8.684 4.305 1.00 0.00 C ATOM 1387 O LYS A 90 -0.438 -9.477 3.438 1.00 0.00 O ATOM 1388 CB LYS A 90 1.566 -6.792 4.280 1.00 0.00 C ATOM 1389 CG LYS A 90 2.603 -7.702 3.646 1.00 0.00 C ATOM 1390 CD LYS A 90 4.016 -7.219 3.928 1.00 0.00 C ATOM 1391 CE LYS A 90 4.557 -7.804 5.223 1.00 0.00 C ATOM 1392 NZ LYS A 90 6.039 -7.949 5.191 1.00 0.00 N ATOM 0 H LYS A 90 -0.366 -5.635 5.280 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.080 -7.054 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.723 -5.773 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.716 -6.781 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.481 -8.716 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.441 -7.745 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.669 -7.498 3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.024 -6.131 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.273 -7.163 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.101 -8.778 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.303 -8.895 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.379 -7.827 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.472 -7.226 5.801 1.00 0.00 H new ATOM 1406 N LYS A 91 0.180 -9.049 5.558 1.00 0.00 N ATOM 1407 CA LYS A 91 0.031 -10.431 5.998 1.00 0.00 C ATOM 1408 C LYS A 91 -1.390 -10.930 5.753 1.00 0.00 C ATOM 1409 O LYS A 91 -1.609 -12.120 5.528 1.00 0.00 O ATOM 1410 CB LYS A 91 0.378 -10.556 7.483 1.00 0.00 C ATOM 1411 CG LYS A 91 1.848 -10.834 7.743 1.00 0.00 C ATOM 1412 CD LYS A 91 2.220 -12.260 7.372 1.00 0.00 C ATOM 1413 CE LYS A 91 1.698 -13.257 8.395 1.00 0.00 C ATOM 1414 NZ LYS A 91 2.432 -13.162 9.687 1.00 0.00 N ATOM 0 H LYS A 91 0.487 -8.406 6.288 1.00 0.00 H new ATOM 0 HA LYS A 91 0.719 -11.046 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.096 -9.635 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.218 -11.357 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.458 -10.137 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.071 -10.661 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.814 -12.499 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.304 -12.347 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.636 -13.079 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.792 -14.268 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.233 -14.005 10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.454 -13.102 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.123 -12.312 10.200 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.350 -10.013 5.796 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.749 -10.360 5.579 1.00 0.00 C ATOM 1430 C ARG A 92 -3.986 -10.781 4.131 1.00 0.00 C ATOM 1431 O ARG A 92 -4.659 -11.777 3.866 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.651 -9.176 5.931 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.098 -9.162 7.384 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.388 -8.377 7.562 1.00 0.00 C ATOM 1435 NE ARG A 92 -6.977 -8.586 8.883 1.00 0.00 N ATOM 1436 CZ ARG A 92 -6.512 -8.023 9.992 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -5.458 -7.221 9.941 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -7.103 -8.261 11.156 1.00 0.00 N ATOM 0 H ARG A 92 -2.185 -9.023 5.979 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.994 -11.200 6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.121 -8.249 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.532 -9.197 5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.242 -10.185 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.315 -8.723 8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.189 -7.315 7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.103 -8.675 6.795 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.790 -9.198 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.002 -7.035 9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.103 -6.790 10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.915 -8.877 11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.745 -7.828 12.008 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.429 -10.015 3.199 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.581 -10.307 1.779 1.00 0.00 C ATOM 1454 C PHE A 93 -2.981 -11.667 1.436 1.00 0.00 C ATOM 1455 O PHE A 93 -3.661 -12.538 0.895 1.00 0.00 O ATOM 1456 CB PHE A 93 -2.914 -9.216 0.938 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.121 -9.388 -0.540 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.382 -9.252 -1.097 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.053 -9.687 -1.372 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.575 -9.410 -2.457 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.241 -9.845 -2.732 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.503 -9.707 -3.275 1.00 0.00 C ATOM 0 H PHE A 93 -2.868 -9.187 3.402 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.647 -10.332 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.305 -8.245 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.845 -9.209 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.224 -9.020 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.064 -9.798 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.563 -9.301 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.401 -10.076 -3.370 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.651 -9.831 -4.338 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.702 -11.840 1.755 1.00 0.00 N ATOM 1473 CA GLN A 94 -1.009 -13.094 1.480 1.00 0.00 C ATOM 1474 C GLN A 94 -1.664 -14.252 2.224 1.00 0.00 C ATOM 1475 O GLN A 94 -1.624 -15.397 1.773 1.00 0.00 O ATOM 1476 CB GLN A 94 0.464 -12.984 1.876 1.00 0.00 C ATOM 1477 CG GLN A 94 0.676 -12.666 3.347 1.00 0.00 C ATOM 1478 CD GLN A 94 2.120 -12.832 3.779 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.616 -13.952 3.907 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.803 -11.716 4.005 1.00 0.00 N ATOM 0 H GLN A 94 -1.125 -11.129 2.204 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.076 -13.290 0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.966 -13.922 1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.937 -12.209 1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.358 -11.642 3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.043 -13.317 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.352 -10.809 3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.779 -11.766 4.297 1.00 0.00 H new ATOM 1489 N THR A 95 -2.267 -13.948 3.370 1.00 0.00 N ATOM 1490 CA THR A 95 -2.929 -14.964 4.178 1.00 0.00 C ATOM 1491 C THR A 95 -4.355 -15.206 3.698 1.00 0.00 C ATOM 1492 O THR A 95 -4.917 -16.282 3.903 1.00 0.00 O ATOM 1493 CB THR A 95 -2.962 -14.565 5.666 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.633 -14.557 6.200 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.829 -15.525 6.465 1.00 0.00 C ATOM 0 H THR A 95 -2.310 -13.006 3.759 1.00 0.00 H new ATOM 0 HA THR A 95 -2.351 -15.881 4.067 1.00 0.00 H new ATOM 0 HB THR A 95 -3.390 -13.566 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.158 -13.760 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.837 -15.223 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.847 -15.507 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.426 -16.534 6.382 1.00 0.00 H new ATOM 1503 N THR A 96 -4.937 -14.198 3.055 1.00 0.00 N ATOM 1504 CA THR A 96 -6.299 -14.301 2.545 1.00 0.00 C ATOM 1505 C THR A 96 -6.305 -14.659 1.063 1.00 0.00 C ATOM 1506 O THR A 96 -6.717 -15.754 0.680 1.00 0.00 O ATOM 1507 CB THR A 96 -7.076 -12.987 2.748 1.00 0.00 C ATOM 1508 OG1 THR A 96 -6.972 -12.562 4.111 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.541 -13.162 2.376 1.00 0.00 C ATOM 0 H THR A 96 -4.486 -13.301 2.875 1.00 0.00 H new ATOM 0 HA THR A 96 -6.789 -15.094 3.110 1.00 0.00 H new ATOM 0 HB THR A 96 -6.640 -12.229 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.091 -12.160 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.070 -12.221 2.527 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.618 -13.457 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.986 -13.934 3.004 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.846 -13.729 0.233 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.800 -13.945 -1.208 1.00 0.00 C ATOM 1519 C TYR A 97 -4.359 -14.015 -1.703 1.00 0.00 C ATOM 1520 O TYR A 97 -4.045 -13.561 -2.802 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.548 -12.827 -1.937 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.790 -12.359 -1.214 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.824 -13.241 -0.925 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.931 -11.033 -0.820 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.961 -12.817 -0.265 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.064 -10.601 -0.159 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.077 -11.496 0.115 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.208 -11.070 0.773 1.00 0.00 O ATOM 0 H TYR A 97 -5.500 -12.818 0.534 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.285 -14.897 -1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.876 -11.980 -2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.826 -13.176 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.737 -14.276 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.141 -10.329 -1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.755 -13.516 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.156 -9.568 0.142 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.174 -10.097 0.885 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.485 -14.590 -0.881 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.087 -14.710 -1.252 1.00 0.00 C ATOM 1540 C GLY A 98 -1.872 -15.684 -2.394 1.00 0.00 C ATOM 1541 O GLY A 98 -1.412 -15.299 -3.469 1.00 0.00 O ATOM 0 H GLY A 98 -3.720 -14.974 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.705 -13.730 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.511 -15.037 -0.386 1.00 0.00 H new ATOM 1545 N SER A 99 -2.203 -16.950 -2.161 1.00 0.00 N ATOM 1546 CA SER A 99 -2.039 -17.983 -3.177 1.00 0.00 C ATOM 1547 C SER A 99 -2.520 -17.488 -4.537 1.00 0.00 C ATOM 1548 O SER A 99 -1.747 -17.418 -5.493 1.00 0.00 O ATOM 1549 CB SER A 99 -2.806 -19.245 -2.780 1.00 0.00 C ATOM 1550 OG SER A 99 -2.339 -20.373 -3.499 1.00 0.00 O ATOM 0 H SER A 99 -2.586 -17.285 -1.277 1.00 0.00 H new ATOM 0 HA SER A 99 -0.978 -18.220 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.695 -19.420 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.870 -19.103 -2.971 1.00 0.00 H new ATOM 0 HG SER A 99 -2.844 -21.167 -3.226 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.802 -17.147 -4.616 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.387 -16.660 -5.859 1.00 0.00 C ATOM 1558 C ARG A 100 -3.540 -15.540 -6.457 1.00 0.00 C ATOM 1559 O ARG A 100 -3.381 -15.451 -7.674 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.813 -16.160 -5.615 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.812 -17.275 -5.351 1.00 0.00 C ATOM 1562 CD ARG A 100 -8.244 -16.786 -5.499 1.00 0.00 C ATOM 1563 NE ARG A 100 -9.197 -17.892 -5.553 1.00 0.00 N ATOM 1564 CZ ARG A 100 -10.505 -17.727 -5.715 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -11.013 -16.509 -5.838 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -11.308 -18.783 -5.753 1.00 0.00 N ATOM 0 H ARG A 100 -4.455 -17.199 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.415 -17.489 -6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.809 -15.478 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.142 -15.587 -6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.633 -18.097 -6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.663 -17.668 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.493 -16.134 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.331 -16.188 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.838 -18.843 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.399 -15.695 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.018 -16.386 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.921 -19.722 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.312 -18.656 -5.877 1.00 0.00 H new ATOM 1580 N ALA A 101 -3.000 -14.688 -5.593 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.168 -13.575 -6.035 1.00 0.00 C ATOM 1582 C ALA A 101 -1.104 -14.044 -7.022 1.00 0.00 C ATOM 1583 O ALA A 101 -0.609 -13.261 -7.832 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.519 -12.894 -4.840 1.00 0.00 C ATOM 0 H ALA A 101 -3.123 -14.747 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.808 -12.855 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.901 -12.065 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.293 -12.516 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.897 -13.612 -4.305 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.757 -15.325 -6.947 1.00 0.00 N ATOM 1591 CA GLN A 102 0.250 -15.896 -7.833 1.00 0.00 C ATOM 1592 C GLN A 102 -0.402 -16.709 -8.946 1.00 0.00 C ATOM 1593 O GLN A 102 0.177 -16.893 -10.017 1.00 0.00 O ATOM 1594 CB GLN A 102 1.216 -16.778 -7.040 1.00 0.00 C ATOM 1595 CG GLN A 102 1.971 -16.030 -5.953 1.00 0.00 C ATOM 1596 CD GLN A 102 2.585 -14.737 -6.454 1.00 0.00 C ATOM 1597 OE1 GLN A 102 1.839 -13.644 -6.337 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 3.716 -14.720 -6.939 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.158 -15.986 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 102 0.806 -15.075 -8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.658 -17.596 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.934 -17.225 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.292 -15.810 -5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.758 -16.671 -5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.254 -15.584 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.116 -13.842 -7.271 1.00 0.00 H new ATOM 1607 N THR A 103 -1.612 -17.194 -8.686 1.00 0.00 N ATOM 1608 CA THR A 103 -2.343 -17.989 -9.665 1.00 0.00 C ATOM 1609 C THR A 103 -3.670 -17.331 -10.027 1.00 0.00 C ATOM 1610 O THR A 103 -4.677 -18.010 -10.226 1.00 0.00 O ATOM 1611 CB THR A 103 -2.615 -19.413 -9.143 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.400 -19.354 -7.947 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.311 -20.145 -8.865 1.00 0.00 C ATOM 0 H THR A 103 -2.107 -17.050 -7.806 1.00 0.00 H new ATOM 0 HA THR A 103 -1.716 -18.050 -10.554 1.00 0.00 H new ATOM 0 HB THR A 103 -3.163 -19.960 -9.910 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.570 -20.263 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.528 -21.148 -8.497 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.729 -20.213 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.740 -19.599 -8.114 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.664 -16.005 -10.111 1.00 0.00 N ATOM 1622 CA ALA A 104 -4.867 -15.255 -10.452 1.00 0.00 C ATOM 1623 C ALA A 104 -4.539 -14.075 -11.360 1.00 0.00 C ATOM 1624 O ALA A 104 -3.490 -13.441 -11.241 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.565 -14.774 -9.189 1.00 0.00 C ATOM 0 H ALA A 104 -2.839 -15.428 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.539 -15.921 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.461 -14.216 -9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.843 -15.632 -8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.892 -14.129 -8.625 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.456 -13.770 -12.290 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.286 -12.663 -13.237 1.00 0.00 C ATOM 1633 C PRO A 105 -5.379 -11.301 -12.558 1.00 0.00 C ATOM 1634 O PRO A 105 -5.754 -11.186 -11.391 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.447 -12.853 -14.216 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.482 -13.591 -13.439 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.730 -14.482 -12.489 1.00 0.00 C ATOM 0 HA PRO A 105 -4.304 -12.678 -13.711 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.827 -11.895 -14.570 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.135 -13.417 -15.095 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.129 -12.901 -12.897 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.122 -14.176 -14.099 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.268 -14.613 -11.550 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.574 -15.476 -12.909 1.00 0.00 H new ATOM 1645 N PRO A 106 -5.030 -10.242 -13.304 1.00 0.00 N ATOM 1646 CA PRO A 106 -5.067 -8.868 -12.795 1.00 0.00 C ATOM 1647 C PRO A 106 -6.491 -8.369 -12.577 1.00 0.00 C ATOM 1648 O PRO A 106 -7.374 -8.600 -13.403 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.381 -8.062 -13.901 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.585 -8.866 -15.138 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.574 -10.305 -14.703 1.00 0.00 C ATOM 0 HA PRO A 106 -4.583 -8.780 -11.822 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.820 -7.069 -13.997 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.321 -7.923 -13.690 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.530 -8.611 -15.618 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.796 -8.672 -15.864 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.238 -10.915 -15.315 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.578 -10.741 -14.782 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.708 -7.683 -11.460 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.026 -7.152 -11.133 1.00 0.00 C ATOM 1661 C TYR A 107 -9.025 -8.282 -10.900 1.00 0.00 C ATOM 1662 O TYR A 107 -10.151 -8.242 -11.397 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.524 -6.238 -12.253 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.595 -5.083 -12.550 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.654 -3.910 -11.809 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -6.656 -5.166 -13.572 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.808 -2.851 -12.077 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -5.805 -4.113 -13.846 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.885 -2.958 -13.097 1.00 0.00 C ATOM 1670 OH TYR A 107 -5.039 -1.907 -13.366 1.00 0.00 O ATOM 0 H TYR A 107 -5.988 -7.482 -10.766 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.939 -6.573 -10.214 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.658 -6.828 -13.160 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.504 -5.845 -11.981 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.374 -3.824 -11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -6.591 -6.069 -14.161 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.869 -1.945 -11.492 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -5.081 -4.194 -14.643 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.450 -2.144 -14.113 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.605 -9.288 -10.141 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.463 -10.427 -9.839 1.00 0.00 C ATOM 1682 C ALA A 108 -10.057 -10.312 -8.440 1.00 0.00 C ATOM 1683 O ALA A 108 -11.260 -10.490 -8.250 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.683 -11.726 -9.978 1.00 0.00 C ATOM 0 H ALA A 108 -7.676 -9.338 -9.724 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.285 -10.431 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.336 -12.569 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.312 -11.820 -10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.841 -11.721 -9.285 1.00 0.00 H new ATOM 1690 N MET A 109 -9.206 -10.014 -7.463 1.00 0.00 N ATOM 1691 CA MET A 109 -9.649 -9.875 -6.080 1.00 0.00 C ATOM 1692 C MET A 109 -9.582 -8.419 -5.632 1.00 0.00 C ATOM 1693 O MET A 109 -9.314 -8.130 -4.467 1.00 0.00 O ATOM 1694 CB MET A 109 -8.792 -10.744 -5.158 1.00 0.00 C ATOM 1695 CG MET A 109 -9.123 -12.226 -5.238 1.00 0.00 C ATOM 1696 SD MET A 109 -8.175 -13.082 -6.511 1.00 0.00 S ATOM 1697 CE MET A 109 -6.503 -12.799 -5.934 1.00 0.00 C ATOM 0 H MET A 109 -8.207 -9.864 -7.603 1.00 0.00 H new ATOM 0 HA MET A 109 -10.685 -10.208 -6.021 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.741 -10.601 -5.410 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.922 -10.406 -4.130 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.928 -12.690 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 109 -10.187 -12.346 -5.441 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.816 -13.451 -6.474 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.229 -11.759 -6.109 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.445 -13.015 -4.867 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.828 -7.505 -6.566 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.795 -6.078 -6.267 1.00 0.00 C ATOM 1709 C ASN A 110 -10.971 -5.681 -5.379 1.00 0.00 C ATOM 1710 O ASN A 110 -10.812 -4.921 -4.424 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.821 -5.263 -7.561 1.00 0.00 C ATOM 1712 CG ASN A 110 -9.594 -3.784 -7.318 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -8.545 -3.240 -7.664 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -10.580 -3.125 -6.720 1.00 0.00 N ATOM 0 H ASN A 110 -10.052 -7.728 -7.536 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.870 -5.866 -5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.055 -5.639 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.782 -5.404 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.485 -2.127 -6.530 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.432 -3.617 -6.451 1.00 0.00 H new ATOM 1721 N SER A 111 -12.150 -6.201 -5.702 1.00 0.00 N ATOM 1722 CA SER A 111 -13.354 -5.899 -4.936 1.00 0.00 C ATOM 1723 C SER A 111 -13.195 -6.330 -3.481 1.00 0.00 C ATOM 1724 O SER A 111 -13.251 -5.505 -2.570 1.00 0.00 O ATOM 1725 CB SER A 111 -14.567 -6.595 -5.556 1.00 0.00 C ATOM 1726 OG SER A 111 -14.690 -6.276 -6.932 1.00 0.00 O ATOM 0 H SER A 111 -12.298 -6.833 -6.489 1.00 0.00 H new ATOM 0 HA SER A 111 -13.510 -4.821 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.471 -7.674 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.472 -6.295 -5.028 1.00 0.00 H new ATOM 0 HG SER A 111 -15.472 -6.734 -7.305 1.00 0.00 H new ATOM 1732 N GLU A 112 -12.997 -7.628 -3.273 1.00 0.00 N ATOM 1733 CA GLU A 112 -12.830 -8.169 -1.929 1.00 0.00 C ATOM 1734 C GLU A 112 -11.881 -7.302 -1.108 1.00 0.00 C ATOM 1735 O GLU A 112 -12.227 -6.840 -0.020 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.302 -9.603 -1.995 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.296 -10.592 -2.578 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.617 -10.599 -1.833 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -14.599 -10.737 -0.592 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.670 -10.464 -2.492 1.00 0.00 O ATOM 0 H GLU A 112 -12.948 -8.324 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.805 -8.171 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.392 -9.619 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.027 -9.926 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.475 -10.347 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.864 -11.593 -2.554 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.680 -7.085 -1.635 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.679 -6.276 -0.951 1.00 0.00 C ATOM 1749 C PHE A 113 -10.193 -4.858 -0.717 1.00 0.00 C ATOM 1750 O PHE A 113 -10.200 -4.367 0.412 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.384 -6.233 -1.765 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.148 -6.123 -0.919 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -6.981 -6.929 0.195 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.153 -5.213 -1.238 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.844 -6.831 0.976 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.014 -5.110 -0.461 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.860 -5.920 0.647 1.00 0.00 C ATOM 0 H PHE A 113 -10.377 -7.459 -2.534 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.477 -6.735 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.318 -7.134 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.423 -5.386 -2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.748 -7.643 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.268 -4.577 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.726 -7.466 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.245 -4.397 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 113 -3.971 -5.841 1.255 1.00 0.00 H new ATOM 1767 N SER A 114 -10.622 -4.206 -1.793 1.00 0.00 N ATOM 1768 CA SER A 114 -11.134 -2.843 -1.707 1.00 0.00 C ATOM 1769 C SER A 114 -11.926 -2.641 -0.419 1.00 0.00 C ATOM 1770 O SER A 114 -11.744 -1.648 0.286 1.00 0.00 O ATOM 1771 CB SER A 114 -12.016 -2.529 -2.916 1.00 0.00 C ATOM 1772 OG SER A 114 -13.317 -3.065 -2.751 1.00 0.00 O ATOM 0 H SER A 114 -10.625 -4.599 -2.734 1.00 0.00 H new ATOM 0 HA SER A 114 -10.283 -2.162 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.079 -1.450 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.562 -2.940 -3.818 1.00 0.00 H new ATOM 0 HG SER A 114 -13.291 -4.035 -2.889 1.00 0.00 H new ATOM 1778 N SER A 115 -12.807 -3.590 -0.118 1.00 0.00 N ATOM 1779 CA SER A 115 -13.631 -3.515 1.082 1.00 0.00 C ATOM 1780 C SER A 115 -12.780 -3.684 2.337 1.00 0.00 C ATOM 1781 O SER A 115 -12.837 -2.866 3.255 1.00 0.00 O ATOM 1782 CB SER A 115 -14.723 -4.587 1.045 1.00 0.00 C ATOM 1783 OG SER A 115 -15.617 -4.443 2.134 1.00 0.00 O ATOM 0 H SER A 115 -12.968 -4.420 -0.689 1.00 0.00 H new ATOM 0 HA SER A 115 -14.098 -2.531 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.274 -4.517 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.267 -5.576 1.074 1.00 0.00 H new ATOM 0 HG SER A 115 -16.306 -5.139 2.086 1.00 0.00 H new ATOM 1789 N VAL A 116 -11.990 -4.753 2.369 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.125 -5.031 3.510 1.00 0.00 C ATOM 1791 C VAL A 116 -10.226 -3.840 3.820 1.00 0.00 C ATOM 1792 O VAL A 116 -10.252 -3.299 4.926 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.248 -6.272 3.260 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.295 -6.495 4.424 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.116 -7.499 3.027 1.00 0.00 C ATOM 0 H VAL A 116 -11.931 -5.441 1.618 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.776 -5.222 4.363 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.653 -6.101 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.683 -7.376 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.650 -5.624 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.867 -6.645 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.480 -8.367 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.738 -7.676 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.753 -7.335 2.158 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.430 -3.434 2.836 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.522 -2.305 3.003 1.00 0.00 C ATOM 1807 C LEU A 117 -9.254 -1.096 3.575 1.00 0.00 C ATOM 1808 O LEU A 117 -8.895 -0.585 4.635 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.880 -1.940 1.663 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.662 -2.770 1.254 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.172 -2.354 -0.124 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.550 -2.628 2.283 1.00 0.00 C ATOM 0 H LEU A 117 -9.395 -3.870 1.915 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.742 -2.599 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.636 -2.033 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.585 -0.891 1.698 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.958 -3.818 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.305 -2.955 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.966 -2.508 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.893 -1.300 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.692 -3.225 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.256 -1.581 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.905 -2.976 3.253 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.285 -0.646 2.867 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.071 0.500 3.307 1.00 0.00 C ATOM 1826 C ALA A 118 -11.318 0.452 4.811 1.00 0.00 C ATOM 1827 O ALA A 118 -11.090 1.433 5.518 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.393 0.553 2.555 1.00 0.00 C ATOM 0 H ALA A 118 -10.595 -1.058 1.987 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.503 1.404 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.970 1.414 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.200 0.643 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.957 -0.360 2.746 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.786 -0.695 5.293 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.062 -0.870 6.713 1.00 0.00 C ATOM 1836 C ALA A 119 -10.809 -0.633 7.550 1.00 0.00 C ATOM 1837 O ALA A 119 -10.872 -0.023 8.617 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.617 -2.262 6.975 1.00 0.00 C ATOM 0 H ALA A 119 -11.982 -1.516 4.721 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.808 -0.131 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.819 -2.379 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.542 -2.397 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.889 -3.009 6.659 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.674 -1.119 7.058 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.407 -0.960 7.762 1.00 0.00 C ATOM 1846 C GLN A 120 -7.986 0.506 7.801 1.00 0.00 C ATOM 1847 O GLN A 120 -7.549 1.010 8.836 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.318 -1.798 7.091 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.455 -3.291 7.346 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.162 -3.666 8.785 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.152 -3.250 9.354 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.045 -4.457 9.383 1.00 0.00 N ATOM 0 H GLN A 120 -9.606 -1.626 6.175 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.543 -1.307 8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.343 -1.618 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.343 -1.465 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.466 -3.608 7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.775 -3.832 6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.868 -4.779 8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.900 -4.743 10.351 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.120 1.184 6.667 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.753 2.593 6.570 1.00 0.00 C ATOM 1863 C LEU A 121 -8.567 3.436 7.546 1.00 0.00 C ATOM 1864 O LEU A 121 -8.011 4.161 8.371 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.964 3.099 5.142 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.768 2.964 4.198 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.236 2.864 2.755 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.816 4.138 4.373 1.00 0.00 C ATOM 0 H LEU A 121 -8.480 0.781 5.802 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.698 2.687 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.806 2.561 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.248 4.150 5.189 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.233 2.048 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.372 2.769 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.877 1.990 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.795 3.762 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.971 4.026 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.340 5.068 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.454 4.163 5.401 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.888 3.335 7.448 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.781 4.084 8.323 1.00 0.00 C ATOM 1882 C LYS A 122 -10.514 3.750 9.787 1.00 0.00 C ATOM 1883 O LYS A 122 -10.496 4.636 10.643 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.241 3.781 7.978 1.00 0.00 C ATOM 1885 CG LYS A 122 -13.189 4.927 8.285 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.738 4.833 9.699 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.047 5.594 9.840 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.195 4.833 9.273 1.00 0.00 N ATOM 0 H LYS A 122 -10.364 2.740 6.770 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.591 5.146 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.312 3.536 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.561 2.898 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.667 5.876 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.014 4.919 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.894 3.787 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.006 5.232 10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.234 5.802 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.964 6.556 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.919 5.498 8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.865 4.247 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.603 4.221 10.008 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.306 2.468 10.069 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.038 2.018 11.430 1.00 0.00 C ATOM 1904 C HIS A 123 -8.892 2.812 12.049 1.00 0.00 C ATOM 1905 O HIS A 123 -9.048 3.426 13.105 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.703 0.526 11.440 1.00 0.00 C ATOM 1907 CG HIS A 123 -9.833 -0.108 12.790 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -8.802 -0.148 13.705 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -10.882 -0.728 13.380 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -9.210 -0.767 14.799 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -10.469 -1.129 14.627 1.00 0.00 N ATOM 0 H HIS A 123 -10.318 1.722 9.373 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.936 2.185 12.025 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.360 0.010 10.740 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -8.683 0.389 11.080 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.861 -0.879 12.950 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -8.616 -0.946 15.683 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -11.041 -1.626 15.310 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.740 2.796 11.385 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.568 3.515 11.871 1.00 0.00 C ATOM 1922 C HIS A 124 -6.794 5.022 11.816 1.00 0.00 C ATOM 1923 O HIS A 124 -6.775 5.700 12.844 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.336 3.142 11.044 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.596 1.953 11.575 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.441 2.056 12.321 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -4.854 0.628 11.466 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.019 0.847 12.646 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -3.860 -0.037 12.139 1.00 0.00 N ATOM 0 H HIS A 124 -7.594 2.293 10.510 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.401 3.228 12.909 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.645 2.939 10.018 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.659 3.996 11.010 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.687 0.178 10.946 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.137 0.620 13.227 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -3.783 -1.050 12.233 1.00 0.00 H new ATOM 1938 N SER A 125 -7.006 5.541 10.611 1.00 0.00 N ATOM 1939 CA SER A 125 -7.231 6.969 10.422 1.00 0.00 C ATOM 1940 C SER A 125 -8.502 7.418 11.137 1.00 0.00 C ATOM 1941 O SER A 125 -9.587 6.894 10.886 1.00 0.00 O ATOM 1942 CB SER A 125 -7.328 7.299 8.931 1.00 0.00 C ATOM 1943 OG SER A 125 -7.282 8.699 8.715 1.00 0.00 O ATOM 0 H SER A 125 -7.027 4.994 9.751 1.00 0.00 H new ATOM 0 HA SER A 125 -6.384 7.505 10.851 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.510 6.818 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.256 6.895 8.526 1.00 0.00 H new ATOM 0 HG SER A 125 -7.344 8.884 7.755 1.00 0.00 H new ATOM 1949 N SER A 126 -8.359 8.392 12.030 1.00 0.00 N ATOM 1950 CA SER A 126 -9.493 8.910 12.786 1.00 0.00 C ATOM 1951 C SER A 126 -10.728 9.030 11.897 1.00 0.00 C ATOM 1952 O SER A 126 -11.821 8.610 12.274 1.00 0.00 O ATOM 1953 CB SER A 126 -9.151 10.274 13.390 1.00 0.00 C ATOM 1954 OG SER A 126 -8.335 10.132 14.539 1.00 0.00 O ATOM 0 H SER A 126 -7.468 8.839 12.248 1.00 0.00 H new ATOM 0 HA SER A 126 -9.712 8.209 13.591 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.637 10.885 12.648 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.069 10.799 13.655 1.00 0.00 H new ATOM 0 HG SER A 126 -8.129 11.017 14.905 1.00 0.00 H new ATOM 1960 N GLY A 127 -10.544 9.608 10.714 1.00 0.00 N ATOM 1961 CA GLY A 127 -11.651 9.773 9.789 1.00 0.00 C ATOM 1962 C GLY A 127 -11.633 11.123 9.100 1.00 0.00 C ATOM 1963 O GLY A 127 -12.341 12.052 9.488 1.00 0.00 O ATOM 0 H GLY A 127 -9.649 9.965 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.613 8.984 9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -12.591 9.656 10.328 1.00 0.00 H new ATOM 1967 N PRO A 128 -10.805 11.246 8.052 1.00 0.00 N ATOM 1968 CA PRO A 128 -10.676 12.489 7.285 1.00 0.00 C ATOM 1969 C PRO A 128 -11.923 12.793 6.461 1.00 0.00 C ATOM 1970 O PRO A 128 -12.162 12.170 5.427 1.00 0.00 O ATOM 1971 CB PRO A 128 -9.482 12.218 6.367 1.00 0.00 C ATOM 1972 CG PRO A 128 -9.443 10.736 6.224 1.00 0.00 C ATOM 1973 CD PRO A 128 -9.931 10.180 7.533 1.00 0.00 C ATOM 0 HA PRO A 128 -10.544 13.356 7.933 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -9.607 12.706 5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -8.556 12.599 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -10.076 10.407 5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -8.432 10.392 6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -10.475 9.246 7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -9.106 9.970 8.213 1.00 0.00 H new ATOM 1981 N SER A 129 -12.714 13.755 6.926 1.00 0.00 N ATOM 1982 CA SER A 129 -13.938 14.139 6.234 1.00 0.00 C ATOM 1983 C SER A 129 -14.248 15.616 6.457 1.00 0.00 C ATOM 1984 O SER A 129 -14.466 16.052 7.588 1.00 0.00 O ATOM 1985 CB SER A 129 -15.111 13.282 6.713 1.00 0.00 C ATOM 1986 OG SER A 129 -14.956 11.933 6.309 1.00 0.00 O ATOM 0 H SER A 129 -12.529 14.282 7.779 1.00 0.00 H new ATOM 0 HA SER A 129 -13.789 13.974 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 129 -15.183 13.333 7.799 1.00 0.00 H new ATOM 0 HB3 SER A 129 -16.043 13.680 6.313 1.00 0.00 H new ATOM 0 HG SER A 129 -15.718 11.406 6.629 1.00 0.00 H new ATOM 1992 N SER A 130 -14.265 16.382 5.371 1.00 0.00 N ATOM 1993 CA SER A 130 -14.544 17.811 5.447 1.00 0.00 C ATOM 1994 C SER A 130 -13.490 18.526 6.288 1.00 0.00 C ATOM 1995 O SER A 130 -13.808 19.412 7.080 1.00 0.00 O ATOM 1996 CB SER A 130 -15.933 18.050 6.041 1.00 0.00 C ATOM 1997 OG SER A 130 -16.358 19.385 5.824 1.00 0.00 O ATOM 0 H SER A 130 -14.089 16.037 4.428 1.00 0.00 H new ATOM 0 HA SER A 130 -14.514 18.216 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 130 -16.648 17.360 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 130 -15.916 17.840 7.110 1.00 0.00 H new ATOM 0 HG SER A 130 -15.690 20.004 6.187 1.00 0.00 H new ATOM 2003 N GLY A 131 -12.232 18.134 6.108 1.00 0.00 N ATOM 2004 CA GLY A 131 -11.150 18.746 6.856 1.00 0.00 C ATOM 2005 C GLY A 131 -11.134 18.317 8.309 1.00 0.00 C ATOM 2006 O GLY A 131 -10.533 18.982 9.153 1.00 0.00 O ATOM 0 H GLY A 131 -11.943 17.403 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -10.199 18.484 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -11.243 19.831 6.802 1.00 0.00 H new TER 2010 GLY A 131