USER MOD reduce.3.24.130724 H: found=0, std=0, add=1177, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1226 hydrogens (52 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 97 CYS SG : rot 72:sc= 0.664 USER MOD Set 1.2: A 145 CYS SG : rot -32:sc= -1.16! USER MOD Set 2.1: A 95 THR OG1 : rot 105:sc= 0.744 USER MOD Set 2.2: A 149 HIS : no HD1:sc= 0.63 K(o=1.4,f=-0.14) USER MOD Set 3.1: A 80 GLN : amide:sc= 0.128 K(o=0.28,f=-0.54) USER MOD Set 3.2: A 174 SER OG : rot -119:sc= 0.153 USER MOD Set 4.1: A 56 TYR OH : rot 180:sc= 0.0181 USER MOD Set 4.2: A 61 SER OG : rot 0:sc= 0.0215 USER MOD Set 5.1: A 37 SER OG : rot -57:sc= 0.148 USER MOD Set 5.2: A 42 SER OG : rot 180:sc= 0.143 USER MOD Single : A 22 THR OG1 : rot 38:sc= 0.532 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.33) USER MOD Single : A 28 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.93) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 38 THR OG1 : rot 83:sc= 0.234 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.095 K(o=-0.095,f=-0.91) USER MOD Single : A 46 THR OG1 : rot 120:sc= -0.0721 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00818 K(o=-0.0082,f=-1.6!) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 123:sc= 0.544 USER MOD Single : A 57 HIS : no HE2:sc= -7.63! C(o=-7.6!,f=-11!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 129:sc= 0.403 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.07 K(o=1.1,f=-1.5!) USER MOD Single : A 74 MET CE :methyl -121:sc= -0.0544 (180deg=-0.563) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= -1.5 F(o=-2.2,f=-1.5) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 93 SER OG : rot 150:sc= 0.051 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 105:sc= 1.39 USER MOD Single : A 102 SER OG : rot 180:sc= -0.212 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -170:sc= -0.0713 USER MOD Single : A 110 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.39) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0331 USER MOD Single : A 128 SER OG : rot 150:sc= 0.157 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -92:sc= 0.499 USER MOD Single : A 139 SER OG : rot -140:sc= -0.949 USER MOD Single : A 147 SER OG : rot 154:sc= 0.359 USER MOD Single : A 159 CYS SG : rot 16:sc= -2.19! USER MOD Single : A 160 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 MET CE :methyl 162:sc= -5.58! (180deg=-6.01!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -170:sc= 0 USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 104.792 28.322 -0.007 1.00 0.00 N ATOM 2 CA THR A 22 103.467 28.806 0.475 1.00 0.00 C ATOM 3 C THR A 22 102.617 27.629 0.960 1.00 0.00 C ATOM 4 O THR A 22 102.245 26.764 0.189 1.00 0.00 O ATOM 5 CB THR A 22 102.820 29.472 -0.742 1.00 0.00 C ATOM 6 OG1 THR A 22 103.767 30.323 -1.372 1.00 0.00 O ATOM 7 CG2 THR A 22 101.604 30.294 -0.303 1.00 0.00 C ATOM 0 HA THR A 22 103.560 29.495 1.314 1.00 0.00 H new ATOM 0 HB THR A 22 102.495 28.703 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 22 104.653 29.905 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 22 101.149 30.765 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 22 100.876 29.639 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 22 101.920 31.063 0.401 1.00 0.00 H new ATOM 15 N GLY A 23 102.309 27.594 2.231 1.00 0.00 N ATOM 16 CA GLY A 23 101.483 26.477 2.777 1.00 0.00 C ATOM 17 C GLY A 23 102.093 25.989 4.091 1.00 0.00 C ATOM 18 O GLY A 23 103.150 26.434 4.497 1.00 0.00 O ATOM 0 H GLY A 23 102.595 28.294 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 23 100.459 26.814 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 23 101.438 25.659 2.058 1.00 0.00 H new ATOM 22 N ARG A 24 101.434 25.075 4.757 1.00 0.00 N ATOM 23 CA ARG A 24 101.970 24.551 6.049 1.00 0.00 C ATOM 24 C ARG A 24 102.203 23.041 5.947 1.00 0.00 C ATOM 25 O ARG A 24 101.355 22.304 5.479 1.00 0.00 O ATOM 26 CB ARG A 24 100.884 24.863 7.080 1.00 0.00 C ATOM 27 CG ARG A 24 100.742 26.381 7.221 1.00 0.00 C ATOM 28 CD ARG A 24 99.656 26.702 8.253 1.00 0.00 C ATOM 29 NE ARG A 24 99.462 28.185 8.173 1.00 0.00 N ATOM 30 CZ ARG A 24 98.498 28.785 8.842 1.00 0.00 C ATOM 31 NH1 ARG A 24 97.553 28.103 9.443 1.00 0.00 N ATOM 32 NH2 ARG A 24 98.484 30.090 8.905 1.00 0.00 N ATOM 0 H ARG A 24 100.547 24.669 4.461 1.00 0.00 H new ATOM 0 HA ARG A 24 102.926 25.001 6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 24 99.935 24.425 6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 24 101.141 24.419 8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 24 101.692 26.818 7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 24 100.485 26.823 6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 24 98.731 26.171 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 24 99.962 26.399 9.254 1.00 0.00 H new ATOM 0 HE ARG A 24 100.088 28.741 7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 24 97.553 27.084 9.399 1.00 0.00 H new ATOM 0 HH12 ARG A 24 96.818 28.592 9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 24 99.213 30.631 8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 24 97.744 30.568 9.419 1.00 0.00 H new ATOM 46 N ASP A 25 103.349 22.580 6.378 1.00 0.00 N ATOM 47 CA ASP A 25 103.651 21.119 6.308 1.00 0.00 C ATOM 48 C ASP A 25 104.776 20.761 7.284 1.00 0.00 C ATOM 49 O ASP A 25 105.415 21.628 7.850 1.00 0.00 O ATOM 50 CB ASP A 25 104.095 20.875 4.864 1.00 0.00 C ATOM 51 CG ASP A 25 103.753 19.439 4.462 1.00 0.00 C ATOM 52 OD1 ASP A 25 104.055 18.542 5.231 1.00 0.00 O ATOM 53 OD2 ASP A 25 103.194 19.262 3.392 1.00 0.00 O ATOM 0 H ASP A 25 104.091 23.155 6.777 1.00 0.00 H new ATOM 0 HA ASP A 25 102.791 20.507 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 25 103.599 21.579 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 25 105.167 21.045 4.768 1.00 0.00 H new ATOM 58 N LYS A 26 105.016 19.490 7.484 1.00 0.00 N ATOM 59 CA LYS A 26 106.097 19.065 8.425 1.00 0.00 C ATOM 60 C LYS A 26 106.881 17.885 7.836 1.00 0.00 C ATOM 61 O LYS A 26 106.453 17.254 6.890 1.00 0.00 O ATOM 62 CB LYS A 26 105.368 18.651 9.709 1.00 0.00 C ATOM 63 CG LYS A 26 104.391 17.507 9.414 1.00 0.00 C ATOM 64 CD LYS A 26 103.670 17.105 10.703 1.00 0.00 C ATOM 65 CE LYS A 26 102.848 15.838 10.455 1.00 0.00 C ATOM 66 NZ LYS A 26 101.865 15.794 11.574 1.00 0.00 N ATOM 0 H LYS A 26 104.509 18.727 7.036 1.00 0.00 H new ATOM 0 HA LYS A 26 106.820 19.859 8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 26 106.091 18.337 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 26 104.828 19.504 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 26 103.666 17.819 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 26 104.929 16.652 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 26 104.395 16.931 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 26 103.020 17.914 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 26 102.345 15.876 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 26 103.481 14.951 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 101.263 14.952 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 102.373 15.752 12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 101.272 16.648 11.549 1.00 0.00 H new ATOM 80 N ASN A 27 108.033 17.586 8.393 1.00 0.00 N ATOM 81 CA ASN A 27 108.864 16.448 7.877 1.00 0.00 C ATOM 82 C ASN A 27 109.117 16.597 6.372 1.00 0.00 C ATOM 83 O ASN A 27 108.910 15.675 5.606 1.00 0.00 O ATOM 84 CB ASN A 27 108.049 15.182 8.164 1.00 0.00 C ATOM 85 CG ASN A 27 108.890 13.947 7.838 1.00 0.00 C ATOM 86 OD1 ASN A 27 108.442 13.060 7.139 1.00 0.00 O ATOM 87 ND2 ASN A 27 110.100 13.850 8.318 1.00 0.00 N ATOM 0 H ASN A 27 108.435 18.084 9.187 1.00 0.00 H new ATOM 0 HA ASN A 27 109.843 16.417 8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 27 107.745 15.162 9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 27 107.137 15.181 7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 27 110.668 13.030 8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 27 110.477 14.594 8.905 1.00 0.00 H new ATOM 94 N GLN A 28 109.559 17.754 5.948 1.00 0.00 N ATOM 95 CA GLN A 28 109.827 17.974 4.493 1.00 0.00 C ATOM 96 C GLN A 28 111.275 17.614 4.134 1.00 0.00 C ATOM 97 O GLN A 28 111.715 17.843 3.023 1.00 0.00 O ATOM 98 CB GLN A 28 109.581 19.465 4.264 1.00 0.00 C ATOM 99 CG GLN A 28 108.133 19.808 4.616 1.00 0.00 C ATOM 100 CD GLN A 28 107.859 21.275 4.280 1.00 0.00 C ATOM 101 OE1 GLN A 28 108.192 21.736 3.206 1.00 0.00 O ATOM 102 NE2 GLN A 28 107.263 22.033 5.158 1.00 0.00 N ATOM 0 H GLN A 28 109.746 18.558 6.548 1.00 0.00 H new ATOM 0 HA GLN A 28 109.189 17.346 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 28 110.264 20.054 4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 28 109.783 19.721 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 28 107.451 19.164 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 28 107.953 19.627 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 28 106.983 21.646 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 28 107.076 23.013 4.943 1.00 0.00 H new ATOM 111 N VAL A 29 112.018 17.054 5.058 1.00 0.00 N ATOM 112 CA VAL A 29 113.437 16.682 4.757 1.00 0.00 C ATOM 113 C VAL A 29 113.482 15.677 3.598 1.00 0.00 C ATOM 114 O VAL A 29 114.214 15.853 2.641 1.00 0.00 O ATOM 115 CB VAL A 29 113.970 16.055 6.051 1.00 0.00 C ATOM 116 CG1 VAL A 29 115.414 15.594 5.848 1.00 0.00 C ATOM 117 CG2 VAL A 29 113.922 17.093 7.176 1.00 0.00 C ATOM 0 H VAL A 29 111.705 16.839 6.005 1.00 0.00 H new ATOM 0 HA VAL A 29 114.037 17.539 4.452 1.00 0.00 H new ATOM 0 HB VAL A 29 113.352 15.197 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 29 115.787 15.149 6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 29 115.451 14.854 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 116.035 16.449 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 29 114.300 16.649 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 29 114.538 17.951 6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 29 112.893 17.419 7.327 1.00 0.00 H new ATOM 127 N GLU A 30 112.701 14.630 3.678 1.00 0.00 N ATOM 128 CA GLU A 30 112.687 13.611 2.586 1.00 0.00 C ATOM 129 C GLU A 30 111.255 13.140 2.320 1.00 0.00 C ATOM 130 O GLU A 30 110.500 12.875 3.235 1.00 0.00 O ATOM 131 CB GLU A 30 113.546 12.456 3.101 1.00 0.00 C ATOM 132 CG GLU A 30 115.029 12.794 2.903 1.00 0.00 C ATOM 133 CD GLU A 30 115.912 11.646 3.414 1.00 0.00 C ATOM 134 OE1 GLU A 30 117.104 11.687 3.154 1.00 0.00 O ATOM 135 OE2 GLU A 30 115.390 10.747 4.058 1.00 0.00 O ATOM 0 H GLU A 30 112.070 14.437 4.456 1.00 0.00 H new ATOM 0 HA GLU A 30 113.069 14.011 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 30 113.340 12.278 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 30 113.297 11.538 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 30 115.230 12.973 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 30 115.273 13.714 3.435 1.00 0.00 H new ATOM 142 N GLY A 31 110.881 13.037 1.070 1.00 0.00 N ATOM 143 CA GLY A 31 109.499 12.586 0.729 1.00 0.00 C ATOM 144 C GLY A 31 109.545 11.256 -0.037 1.00 0.00 C ATOM 145 O GLY A 31 108.541 10.580 -0.168 1.00 0.00 O ATOM 0 H GLY A 31 111.476 13.247 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 31 108.913 12.468 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 31 109.001 13.344 0.125 1.00 0.00 H new ATOM 149 N GLU A 32 110.693 10.874 -0.547 1.00 0.00 N ATOM 150 CA GLU A 32 110.790 9.590 -1.307 1.00 0.00 C ATOM 151 C GLU A 32 111.070 8.405 -0.368 1.00 0.00 C ATOM 152 O GLU A 32 111.217 7.282 -0.816 1.00 0.00 O ATOM 153 CB GLU A 32 111.960 9.789 -2.269 1.00 0.00 C ATOM 154 CG GLU A 32 111.582 10.825 -3.333 1.00 0.00 C ATOM 155 CD GLU A 32 111.806 12.239 -2.786 1.00 0.00 C ATOM 156 OE1 GLU A 32 112.666 12.398 -1.935 1.00 0.00 O ATOM 157 OE2 GLU A 32 111.112 13.139 -3.230 1.00 0.00 O ATOM 0 H GLU A 32 111.565 11.397 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 32 109.858 9.360 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 32 112.842 10.121 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 32 112.218 8.843 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 32 112.182 10.673 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 110.539 10.698 -3.622 1.00 0.00 H new ATOM 164 N VAL A 33 111.143 8.635 0.925 1.00 0.00 N ATOM 165 CA VAL A 33 111.412 7.510 1.872 1.00 0.00 C ATOM 166 C VAL A 33 110.155 7.209 2.696 1.00 0.00 C ATOM 167 O VAL A 33 109.587 8.084 3.321 1.00 0.00 O ATOM 168 CB VAL A 33 112.547 8.004 2.776 1.00 0.00 C ATOM 169 CG1 VAL A 33 112.905 6.918 3.796 1.00 0.00 C ATOM 170 CG2 VAL A 33 113.780 8.316 1.925 1.00 0.00 C ATOM 0 H VAL A 33 111.028 9.550 1.360 1.00 0.00 H new ATOM 0 HA VAL A 33 111.684 6.590 1.355 1.00 0.00 H new ATOM 0 HB VAL A 33 112.222 8.904 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.712 7.273 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.031 6.689 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.227 6.018 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 33 114.587 8.667 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 33 114.099 7.414 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 33 113.534 9.089 1.197 1.00 0.00 H new ATOM 180 N GLN A 34 109.723 5.974 2.697 1.00 0.00 N ATOM 181 CA GLN A 34 108.505 5.599 3.475 1.00 0.00 C ATOM 182 C GLN A 34 108.877 4.627 4.597 1.00 0.00 C ATOM 183 O GLN A 34 109.908 3.981 4.552 1.00 0.00 O ATOM 184 CB GLN A 34 107.581 4.923 2.463 1.00 0.00 C ATOM 185 CG GLN A 34 107.055 5.966 1.475 1.00 0.00 C ATOM 186 CD GLN A 34 106.130 5.290 0.462 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.351 4.427 0.815 1.00 0.00 O ATOM 188 NE2 GLN A 34 106.182 5.648 -0.792 1.00 0.00 N ATOM 0 H GLN A 34 110.164 5.206 2.190 1.00 0.00 H new ATOM 0 HA GLN A 34 108.031 6.461 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 34 108.120 4.140 1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.749 4.443 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.516 6.749 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.887 6.446 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 34 106.836 6.372 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 34 105.569 5.203 -1.475 1.00 0.00 H new ATOM 197 N VAL A 35 108.046 4.520 5.602 1.00 0.00 N ATOM 198 CA VAL A 35 108.346 3.591 6.734 1.00 0.00 C ATOM 199 C VAL A 35 107.280 2.490 6.807 1.00 0.00 C ATOM 200 O VAL A 35 106.095 2.761 6.802 1.00 0.00 O ATOM 201 CB VAL A 35 108.304 4.465 7.994 1.00 0.00 C ATOM 202 CG1 VAL A 35 108.600 3.609 9.228 1.00 0.00 C ATOM 203 CG2 VAL A 35 109.356 5.575 7.889 1.00 0.00 C ATOM 0 H VAL A 35 107.171 5.037 5.688 1.00 0.00 H new ATOM 0 HA VAL A 35 109.310 3.096 6.617 1.00 0.00 H new ATOM 0 HB VAL A 35 107.312 4.908 8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 35 108.569 4.234 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 35 107.852 2.820 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 35 109.590 3.162 9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 35 109.323 6.194 8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.346 5.130 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 35 109.148 6.192 7.015 1.00 0.00 H new ATOM 213 N VAL A 36 107.699 1.252 6.878 1.00 0.00 N ATOM 214 CA VAL A 36 106.719 0.125 6.956 1.00 0.00 C ATOM 215 C VAL A 36 107.181 -0.901 7.999 1.00 0.00 C ATOM 216 O VAL A 36 108.355 -1.208 8.100 1.00 0.00 O ATOM 217 CB VAL A 36 106.696 -0.484 5.547 1.00 0.00 C ATOM 218 CG1 VAL A 36 108.092 -0.983 5.167 1.00 0.00 C ATOM 219 CG2 VAL A 36 105.710 -1.656 5.512 1.00 0.00 C ATOM 0 H VAL A 36 108.680 0.972 6.885 1.00 0.00 H new ATOM 0 HA VAL A 36 105.726 0.454 7.262 1.00 0.00 H new ATOM 0 HB VAL A 36 106.384 0.280 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 36 108.065 -1.413 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 36 108.794 -0.149 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 36 108.413 -1.743 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 36 105.694 -2.088 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 36 106.021 -2.415 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 36 104.712 -1.300 5.770 1.00 0.00 H new ATOM 229 N SER A 37 106.267 -1.429 8.773 1.00 0.00 N ATOM 230 CA SER A 37 106.646 -2.433 9.813 1.00 0.00 C ATOM 231 C SER A 37 105.832 -3.717 9.636 1.00 0.00 C ATOM 232 O SER A 37 104.656 -3.677 9.324 1.00 0.00 O ATOM 233 CB SER A 37 106.309 -1.766 11.146 1.00 0.00 C ATOM 234 OG SER A 37 107.164 -0.647 11.341 1.00 0.00 O ATOM 0 H SER A 37 105.272 -1.207 8.729 1.00 0.00 H new ATOM 0 HA SER A 37 107.697 -2.714 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.267 -1.447 11.153 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.430 -2.478 11.963 1.00 0.00 H new ATOM 0 HG SER A 37 108.099 -0.939 11.305 1.00 0.00 H new ATOM 240 N THR A 38 106.450 -4.854 9.835 1.00 0.00 N ATOM 241 CA THR A 38 105.718 -6.148 9.682 1.00 0.00 C ATOM 242 C THR A 38 105.432 -6.753 11.058 1.00 0.00 C ATOM 243 O THR A 38 105.730 -6.162 12.079 1.00 0.00 O ATOM 244 CB THR A 38 106.645 -7.064 8.871 1.00 0.00 C ATOM 245 OG1 THR A 38 107.420 -6.287 7.967 1.00 0.00 O ATOM 246 CG2 THR A 38 105.806 -8.070 8.082 1.00 0.00 C ATOM 0 H THR A 38 107.432 -4.942 10.097 1.00 0.00 H new ATOM 0 HA THR A 38 104.759 -6.014 9.181 1.00 0.00 H new ATOM 0 HB THR A 38 107.309 -7.595 9.553 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.199 -5.920 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.464 -8.720 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.215 -8.672 8.772 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.140 -7.536 7.404 1.00 0.00 H new ATOM 254 N ALA A 39 104.841 -7.918 11.089 1.00 0.00 N ATOM 255 CA ALA A 39 104.512 -8.564 12.397 1.00 0.00 C ATOM 256 C ALA A 39 105.782 -9.019 13.127 1.00 0.00 C ATOM 257 O ALA A 39 105.882 -8.900 14.333 1.00 0.00 O ATOM 258 CB ALA A 39 103.643 -9.772 12.041 1.00 0.00 C ATOM 0 H ALA A 39 104.571 -8.453 10.264 1.00 0.00 H new ATOM 0 HA ALA A 39 104.003 -7.870 13.066 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.361 -10.299 12.953 1.00 0.00 H new ATOM 0 HB2 ALA A 39 102.745 -9.434 11.524 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.204 -10.445 11.392 1.00 0.00 H new ATOM 264 N THR A 40 106.743 -9.555 12.412 1.00 0.00 N ATOM 265 CA THR A 40 107.993 -10.035 13.079 1.00 0.00 C ATOM 266 C THR A 40 109.214 -9.212 12.648 1.00 0.00 C ATOM 267 O THR A 40 110.232 -9.217 13.317 1.00 0.00 O ATOM 268 CB THR A 40 108.145 -11.488 12.628 1.00 0.00 C ATOM 269 OG1 THR A 40 108.190 -11.538 11.209 1.00 0.00 O ATOM 270 CG2 THR A 40 106.959 -12.308 13.134 1.00 0.00 C ATOM 0 H THR A 40 106.715 -9.680 11.400 1.00 0.00 H new ATOM 0 HA THR A 40 107.930 -9.936 14.163 1.00 0.00 H new ATOM 0 HB THR A 40 109.067 -11.902 13.035 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.289 -12.468 10.917 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.069 -13.343 12.812 1.00 0.00 H new ATOM 0 HG22 THR A 40 106.927 -12.268 14.223 1.00 0.00 H new ATOM 0 HG23 THR A 40 106.034 -11.898 12.729 1.00 0.00 H new ATOM 278 N GLN A 41 109.133 -8.517 11.541 1.00 0.00 N ATOM 279 CA GLN A 41 110.302 -7.709 11.078 1.00 0.00 C ATOM 280 C GLN A 41 109.859 -6.306 10.661 1.00 0.00 C ATOM 281 O GLN A 41 108.700 -6.071 10.378 1.00 0.00 O ATOM 282 CB GLN A 41 110.858 -8.474 9.877 1.00 0.00 C ATOM 283 CG GLN A 41 111.499 -9.778 10.356 1.00 0.00 C ATOM 284 CD GLN A 41 112.030 -10.560 9.153 1.00 0.00 C ATOM 285 OE1 GLN A 41 112.719 -10.014 8.314 1.00 0.00 O ATOM 286 NE2 GLN A 41 111.731 -11.824 9.030 1.00 0.00 N ATOM 0 H GLN A 41 108.310 -8.474 10.940 1.00 0.00 H new ATOM 0 HA GLN A 41 111.046 -7.579 11.864 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.059 -8.688 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.595 -7.865 9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.311 -9.562 11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 41 110.767 -10.377 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 41 111.153 -12.282 9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 41 112.076 -12.354 8.230 1.00 0.00 H new ATOM 295 N SER A 42 110.777 -5.375 10.619 1.00 0.00 N ATOM 296 CA SER A 42 110.418 -3.982 10.217 1.00 0.00 C ATOM 297 C SER A 42 111.498 -3.404 9.299 1.00 0.00 C ATOM 298 O SER A 42 112.648 -3.285 9.674 1.00 0.00 O ATOM 299 CB SER A 42 110.344 -3.196 11.524 1.00 0.00 C ATOM 300 OG SER A 42 110.101 -1.826 11.235 1.00 0.00 O ATOM 0 H SER A 42 111.761 -5.520 10.846 1.00 0.00 H new ATOM 0 HA SER A 42 109.478 -3.940 9.667 1.00 0.00 H new ATOM 0 HB2 SER A 42 109.549 -3.593 12.156 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.276 -3.303 12.079 1.00 0.00 H new ATOM 0 HG SER A 42 110.051 -1.319 12.072 1.00 0.00 H new ATOM 306 N PHE A 43 111.128 -3.043 8.099 1.00 0.00 N ATOM 307 CA PHE A 43 112.116 -2.468 7.137 1.00 0.00 C ATOM 308 C PHE A 43 111.515 -1.241 6.446 1.00 0.00 C ATOM 309 O PHE A 43 110.374 -0.891 6.678 1.00 0.00 O ATOM 310 CB PHE A 43 112.401 -3.581 6.119 1.00 0.00 C ATOM 311 CG PHE A 43 111.108 -4.062 5.498 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.360 -5.056 6.138 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.662 -3.518 4.288 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.166 -5.507 5.570 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.464 -3.971 3.719 1.00 0.00 C ATOM 316 CZ PHE A 43 108.716 -4.966 4.361 1.00 0.00 C ATOM 0 H PHE A 43 110.176 -3.122 7.740 1.00 0.00 H new ATOM 0 HA PHE A 43 113.031 -2.143 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.071 -3.211 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 43 112.909 -4.411 6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.706 -5.475 7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.240 -2.751 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.590 -6.274 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.118 -3.553 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.793 -5.315 3.923 1.00 0.00 H new ATOM 326 N LEU A 44 112.276 -0.581 5.610 1.00 0.00 N ATOM 327 CA LEU A 44 111.749 0.635 4.913 1.00 0.00 C ATOM 328 C LEU A 44 111.752 0.423 3.396 1.00 0.00 C ATOM 329 O LEU A 44 112.447 -0.432 2.880 1.00 0.00 O ATOM 330 CB LEU A 44 112.707 1.772 5.291 1.00 0.00 C ATOM 331 CG LEU A 44 112.842 1.888 6.818 1.00 0.00 C ATOM 332 CD1 LEU A 44 113.821 3.014 7.157 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.483 2.207 7.447 1.00 0.00 C ATOM 0 H LEU A 44 113.238 -0.830 5.379 1.00 0.00 H new ATOM 0 HA LEU A 44 110.722 0.855 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 44 113.686 1.591 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.341 2.713 4.881 1.00 0.00 H new ATOM 0 HG LEU A 44 113.208 0.940 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 44 113.918 3.098 8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 44 114.795 2.793 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.448 3.955 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 44 111.592 2.287 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.111 3.151 7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 44 110.777 1.411 7.211 1.00 0.00 H new ATOM 345 N ALA A 45 110.978 1.200 2.681 1.00 0.00 N ATOM 346 CA ALA A 45 110.926 1.059 1.194 1.00 0.00 C ATOM 347 C ALA A 45 111.237 2.403 0.528 1.00 0.00 C ATOM 348 O ALA A 45 111.014 3.453 1.100 1.00 0.00 O ATOM 349 CB ALA A 45 109.491 0.627 0.886 1.00 0.00 C ATOM 0 H ALA A 45 110.377 1.929 3.065 1.00 0.00 H new ATOM 0 HA ALA A 45 111.656 0.341 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.372 0.502 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.280 -0.318 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.797 1.389 1.242 1.00 0.00 H new ATOM 355 N THR A 46 111.752 2.375 -0.676 1.00 0.00 N ATOM 356 CA THR A 46 112.083 3.649 -1.385 1.00 0.00 C ATOM 357 C THR A 46 111.407 3.687 -2.757 1.00 0.00 C ATOM 358 O THR A 46 111.347 2.694 -3.458 1.00 0.00 O ATOM 359 CB THR A 46 113.604 3.634 -1.542 1.00 0.00 C ATOM 360 OG1 THR A 46 114.209 3.480 -0.266 1.00 0.00 O ATOM 361 CG2 THR A 46 114.063 4.950 -2.172 1.00 0.00 C ATOM 0 H THR A 46 111.958 1.524 -1.199 1.00 0.00 H new ATOM 0 HA THR A 46 111.736 4.524 -0.836 1.00 0.00 H new ATOM 0 HB THR A 46 113.897 2.803 -2.184 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.748 2.661 -0.256 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.147 4.941 -2.285 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.598 5.067 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.772 5.782 -1.530 1.00 0.00 H new ATOM 369 N CYS A 47 110.900 4.830 -3.145 1.00 0.00 N ATOM 370 CA CYS A 47 110.226 4.946 -4.473 1.00 0.00 C ATOM 371 C CYS A 47 111.250 5.310 -5.553 1.00 0.00 C ATOM 372 O CYS A 47 111.749 6.418 -5.599 1.00 0.00 O ATOM 373 CB CYS A 47 109.204 6.070 -4.301 1.00 0.00 C ATOM 374 SG CYS A 47 108.217 6.227 -5.811 1.00 0.00 S ATOM 0 H CYS A 47 110.924 5.690 -2.597 1.00 0.00 H new ATOM 0 HA CYS A 47 109.756 4.013 -4.782 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.556 5.859 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 47 109.714 7.010 -4.088 1.00 0.00 H new ATOM 0 HG CYS A 47 107.347 7.181 -5.663 1.00 0.00 H new ATOM 380 N VAL A 48 111.562 4.380 -6.419 1.00 0.00 N ATOM 381 CA VAL A 48 112.554 4.656 -7.503 1.00 0.00 C ATOM 382 C VAL A 48 111.917 4.393 -8.874 1.00 0.00 C ATOM 383 O VAL A 48 111.327 3.355 -9.103 1.00 0.00 O ATOM 384 CB VAL A 48 113.711 3.684 -7.245 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.798 3.878 -8.305 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.307 3.955 -5.860 1.00 0.00 C ATOM 0 H VAL A 48 111.171 3.438 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 48 112.893 5.692 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 48 113.335 2.662 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.618 3.185 -8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.381 3.686 -9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 48 115.171 4.901 -8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.130 3.264 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.677 4.979 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.539 3.815 -5.100 1.00 0.00 H new ATOM 396 N ASN A 49 112.033 5.331 -9.782 1.00 0.00 N ATOM 397 CA ASN A 49 111.441 5.163 -11.152 1.00 0.00 C ATOM 398 C ASN A 49 109.944 4.831 -11.065 1.00 0.00 C ATOM 399 O ASN A 49 109.432 4.038 -11.829 1.00 0.00 O ATOM 400 CB ASN A 49 112.214 4.008 -11.799 1.00 0.00 C ATOM 401 CG ASN A 49 113.644 4.459 -12.104 1.00 0.00 C ATOM 402 OD1 ASN A 49 113.899 5.634 -12.279 1.00 0.00 O ATOM 403 ND2 ASN A 49 114.594 3.568 -12.176 1.00 0.00 N ATOM 0 H ASN A 49 112.517 6.216 -9.633 1.00 0.00 H new ATOM 0 HA ASN A 49 111.523 6.080 -11.736 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.228 3.146 -11.132 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.717 3.693 -12.717 1.00 0.00 H new ATOM 0 HD21 ASN A 49 115.551 3.858 -12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 49 114.380 2.582 -12.029 1.00 0.00 H new ATOM 410 N GLY A 50 109.245 5.445 -10.143 1.00 0.00 N ATOM 411 CA GLY A 50 107.779 5.185 -10.003 1.00 0.00 C ATOM 412 C GLY A 50 107.532 3.753 -9.512 1.00 0.00 C ATOM 413 O GLY A 50 106.435 3.237 -9.628 1.00 0.00 O ATOM 0 H GLY A 50 109.628 6.118 -9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.343 5.896 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.283 5.338 -10.962 1.00 0.00 H new ATOM 417 N VAL A 51 108.531 3.108 -8.964 1.00 0.00 N ATOM 418 CA VAL A 51 108.345 1.711 -8.462 1.00 0.00 C ATOM 419 C VAL A 51 108.884 1.599 -7.033 1.00 0.00 C ATOM 420 O VAL A 51 109.998 1.996 -6.751 1.00 0.00 O ATOM 421 CB VAL A 51 109.155 0.833 -9.422 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.044 -0.634 -8.999 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.605 0.987 -10.843 1.00 0.00 C ATOM 0 H VAL A 51 109.469 3.489 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 51 107.298 1.411 -8.432 1.00 0.00 H new ATOM 0 HB VAL A 51 110.200 1.143 -9.395 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.621 -1.255 -9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.433 -0.751 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 51 107.999 -0.942 -9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.181 0.363 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.560 0.679 -10.864 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.682 2.029 -11.152 1.00 0.00 H new ATOM 433 N CYS A 52 108.103 1.056 -6.133 1.00 0.00 N ATOM 434 CA CYS A 52 108.571 0.911 -4.721 1.00 0.00 C ATOM 435 C CYS A 52 109.499 -0.298 -4.602 1.00 0.00 C ATOM 436 O CYS A 52 109.177 -1.382 -5.052 1.00 0.00 O ATOM 437 CB CYS A 52 107.300 0.695 -3.898 1.00 0.00 C ATOM 438 SG CYS A 52 106.367 2.244 -3.809 1.00 0.00 S ATOM 0 H CYS A 52 107.162 0.707 -6.315 1.00 0.00 H new ATOM 0 HA CYS A 52 109.131 1.781 -4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.688 -0.085 -4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.557 0.355 -2.895 1.00 0.00 H new ATOM 0 HG CYS A 52 105.286 2.060 -3.111 1.00 0.00 H new ATOM 444 N TRP A 53 110.651 -0.121 -4.001 1.00 0.00 N ATOM 445 CA TRP A 53 111.599 -1.265 -3.857 1.00 0.00 C ATOM 446 C TRP A 53 111.886 -1.548 -2.381 1.00 0.00 C ATOM 447 O TRP A 53 112.109 -0.650 -1.592 1.00 0.00 O ATOM 448 CB TRP A 53 112.879 -0.813 -4.560 1.00 0.00 C ATOM 449 CG TRP A 53 112.656 -0.762 -6.038 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.350 0.353 -6.738 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.727 -1.848 -7.007 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.228 0.022 -8.076 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.450 -1.324 -8.291 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.000 -3.224 -6.898 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.445 -2.134 -9.427 1.00 0.00 C ATOM 456 CZ3 TRP A 53 112.997 -4.043 -8.039 1.00 0.00 C ATOM 457 CH2 TRP A 53 112.720 -3.498 -9.301 1.00 0.00 C ATOM 0 H TRP A 53 110.973 0.763 -3.606 1.00 0.00 H new ATOM 0 HA TRP A 53 111.192 -2.182 -4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.178 0.169 -4.194 1.00 0.00 H new ATOM 0 HB3 TRP A 53 113.693 -1.500 -4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.222 1.341 -6.321 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.002 0.690 -8.813 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.213 -3.653 -5.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.230 -1.710 -10.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.209 -5.098 -7.944 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.719 -4.132 -10.175 1.00 0.00 H new ATOM 468 N THR A 54 111.904 -2.802 -2.018 1.00 0.00 N ATOM 469 CA THR A 54 112.199 -3.186 -0.607 1.00 0.00 C ATOM 470 C THR A 54 113.146 -4.391 -0.603 1.00 0.00 C ATOM 471 O THR A 54 113.426 -4.964 -1.639 1.00 0.00 O ATOM 472 CB THR A 54 110.844 -3.534 0.024 1.00 0.00 C ATOM 473 OG1 THR A 54 111.040 -3.900 1.382 1.00 0.00 O ATOM 474 CG2 THR A 54 110.185 -4.695 -0.726 1.00 0.00 C ATOM 0 H THR A 54 111.725 -3.586 -2.646 1.00 0.00 H new ATOM 0 HA THR A 54 112.687 -2.389 -0.046 1.00 0.00 H new ATOM 0 HB THR A 54 110.192 -2.663 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.503 -3.317 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.225 -4.928 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.028 -4.413 -1.767 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.832 -5.571 -0.681 1.00 0.00 H new ATOM 482 N VAL A 55 113.640 -4.779 0.545 1.00 0.00 N ATOM 483 CA VAL A 55 114.569 -5.949 0.599 1.00 0.00 C ATOM 484 C VAL A 55 113.761 -7.252 0.572 1.00 0.00 C ATOM 485 O VAL A 55 112.690 -7.336 1.144 1.00 0.00 O ATOM 486 CB VAL A 55 115.329 -5.801 1.919 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.336 -6.949 2.065 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.075 -4.461 1.934 1.00 0.00 C ATOM 0 H VAL A 55 113.442 -4.339 1.444 1.00 0.00 H new ATOM 0 HA VAL A 55 115.253 -5.980 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 55 114.622 -5.832 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.876 -6.842 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.806 -7.901 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.043 -6.921 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.616 -4.356 2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.781 -4.428 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.359 -3.645 1.834 1.00 0.00 H new ATOM 498 N TYR A 56 114.255 -8.260 -0.108 1.00 0.00 N ATOM 499 CA TYR A 56 113.503 -9.549 -0.193 1.00 0.00 C ATOM 500 C TYR A 56 113.679 -10.393 1.080 1.00 0.00 C ATOM 501 O TYR A 56 112.738 -11.017 1.535 1.00 0.00 O ATOM 502 CB TYR A 56 114.072 -10.259 -1.431 1.00 0.00 C ATOM 503 CG TYR A 56 113.487 -11.648 -1.553 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.387 -11.879 -2.386 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.048 -12.702 -0.825 1.00 0.00 C ATOM 506 CE1 TYR A 56 111.848 -13.167 -2.491 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.511 -13.988 -0.929 1.00 0.00 C ATOM 508 CZ TYR A 56 112.411 -14.222 -1.762 1.00 0.00 C ATOM 509 OH TYR A 56 111.880 -15.492 -1.865 1.00 0.00 O ATOM 0 H TYR A 56 115.145 -8.244 -0.606 1.00 0.00 H new ATOM 0 HA TYR A 56 112.429 -9.387 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.845 -9.681 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.158 -10.319 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 56 111.954 -11.064 -2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 56 114.897 -12.522 -0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 56 110.999 -13.347 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 56 113.945 -14.801 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 56 112.388 -16.106 -1.295 1.00 0.00 H new ATOM 519 N HIS A 57 114.862 -10.440 1.652 1.00 0.00 N ATOM 520 CA HIS A 57 115.050 -11.276 2.881 1.00 0.00 C ATOM 521 C HIS A 57 114.113 -10.797 4.004 1.00 0.00 C ATOM 522 O HIS A 57 113.775 -11.549 4.899 1.00 0.00 O ATOM 523 CB HIS A 57 116.545 -11.165 3.261 1.00 0.00 C ATOM 524 CG HIS A 57 116.888 -9.841 3.913 1.00 0.00 C ATOM 525 ND1 HIS A 57 117.955 -9.052 3.465 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.369 -9.181 5.008 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.043 -7.981 4.281 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.106 -8.032 5.212 1.00 0.00 N ATOM 0 H HIS A 57 115.692 -9.944 1.327 1.00 0.00 H new ATOM 0 HA HIS A 57 114.792 -12.321 2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 57 116.804 -11.977 3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.153 -11.292 2.366 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.557 -9.251 2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 57 115.529 -9.508 5.604 1.00 0.00 H new ATOM 0 HE1 HIS A 57 118.776 -7.193 4.187 1.00 0.00 H new ATOM 536 N GLY A 58 113.684 -9.560 3.949 1.00 0.00 N ATOM 537 CA GLY A 58 112.758 -9.037 4.996 1.00 0.00 C ATOM 538 C GLY A 58 111.366 -9.628 4.764 1.00 0.00 C ATOM 539 O GLY A 58 110.906 -10.465 5.518 1.00 0.00 O ATOM 0 H GLY A 58 113.937 -8.890 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.121 -9.305 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 58 112.718 -7.949 4.954 1.00 0.00 H new ATOM 543 N ALA A 59 110.697 -9.205 3.718 1.00 0.00 N ATOM 544 CA ALA A 59 109.335 -9.751 3.424 1.00 0.00 C ATOM 545 C ALA A 59 109.425 -11.259 3.175 1.00 0.00 C ATOM 546 O ALA A 59 108.730 -12.042 3.795 1.00 0.00 O ATOM 547 CB ALA A 59 108.871 -9.025 2.159 1.00 0.00 C ATOM 0 H ALA A 59 111.035 -8.506 3.056 1.00 0.00 H new ATOM 0 HA ALA A 59 108.641 -9.599 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 59 107.877 -9.375 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 59 108.839 -7.952 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 59 109.567 -9.230 1.346 1.00 0.00 H new ATOM 553 N GLY A 60 110.287 -11.669 2.277 1.00 0.00 N ATOM 554 CA GLY A 60 110.442 -13.125 1.988 1.00 0.00 C ATOM 555 C GLY A 60 109.319 -13.600 1.065 1.00 0.00 C ATOM 556 O GLY A 60 108.559 -12.812 0.535 1.00 0.00 O ATOM 0 H GLY A 60 110.891 -11.054 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.410 -13.310 1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.423 -13.692 2.918 1.00 0.00 H new ATOM 560 N SER A 61 109.215 -14.891 0.872 1.00 0.00 N ATOM 561 CA SER A 61 108.146 -15.445 -0.017 1.00 0.00 C ATOM 562 C SER A 61 106.761 -15.062 0.512 1.00 0.00 C ATOM 563 O SER A 61 105.868 -14.737 -0.247 1.00 0.00 O ATOM 564 CB SER A 61 108.334 -16.962 0.024 1.00 0.00 C ATOM 565 OG SER A 61 109.550 -17.303 -0.629 1.00 0.00 O ATOM 0 H SER A 61 109.827 -15.589 1.294 1.00 0.00 H new ATOM 0 HA SER A 61 108.217 -15.054 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 61 108.353 -17.310 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 61 107.495 -17.457 -0.464 1.00 0.00 H new ATOM 0 HG SER A 61 109.988 -16.488 -0.952 1.00 0.00 H new ATOM 571 N LYS A 62 106.577 -15.100 1.809 1.00 0.00 N ATOM 572 CA LYS A 62 105.246 -14.742 2.396 1.00 0.00 C ATOM 573 C LYS A 62 104.861 -13.312 1.999 1.00 0.00 C ATOM 574 O LYS A 62 105.688 -12.419 1.987 1.00 0.00 O ATOM 575 CB LYS A 62 105.434 -14.847 3.913 1.00 0.00 C ATOM 576 CG LYS A 62 104.118 -14.516 4.624 1.00 0.00 C ATOM 577 CD LYS A 62 104.314 -14.624 6.137 1.00 0.00 C ATOM 578 CE LYS A 62 103.024 -14.211 6.851 1.00 0.00 C ATOM 579 NZ LYS A 62 103.184 -14.698 8.250 1.00 0.00 N ATOM 0 H LYS A 62 107.291 -15.364 2.488 1.00 0.00 H new ATOM 0 HA LYS A 62 104.450 -15.397 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 62 105.759 -15.853 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 62 106.217 -14.162 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 62 103.793 -13.510 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 62 103.334 -15.200 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 62 104.581 -15.646 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 105.138 -13.985 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 62 102.886 -13.130 6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 62 102.150 -14.656 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 102.338 -14.452 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 103.306 -15.731 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 104.020 -14.252 8.679 1.00 0.00 H new ATOM 593 N THR A 63 103.612 -13.095 1.672 1.00 0.00 N ATOM 594 CA THR A 63 103.165 -11.727 1.271 1.00 0.00 C ATOM 595 C THR A 63 102.895 -10.864 2.508 1.00 0.00 C ATOM 596 O THR A 63 102.852 -11.356 3.621 1.00 0.00 O ATOM 597 CB THR A 63 101.877 -11.939 0.461 1.00 0.00 C ATOM 598 OG1 THR A 63 101.374 -10.679 0.042 1.00 0.00 O ATOM 599 CG2 THR A 63 100.822 -12.650 1.316 1.00 0.00 C ATOM 0 H THR A 63 102.882 -13.807 1.666 1.00 0.00 H new ATOM 0 HA THR A 63 103.925 -11.206 0.688 1.00 0.00 H new ATOM 0 HB THR A 63 102.102 -12.557 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 63 101.198 -10.701 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 63 99.915 -12.794 0.729 1.00 0.00 H new ATOM 0 HG22 THR A 63 101.205 -13.619 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 63 100.595 -12.043 2.193 1.00 0.00 H new ATOM 607 N LEU A 64 102.710 -9.584 2.316 1.00 0.00 N ATOM 608 CA LEU A 64 102.438 -8.677 3.472 1.00 0.00 C ATOM 609 C LEU A 64 101.376 -7.640 3.090 1.00 0.00 C ATOM 610 O LEU A 64 101.361 -7.132 1.984 1.00 0.00 O ATOM 611 CB LEU A 64 103.782 -8.006 3.782 1.00 0.00 C ATOM 612 CG LEU A 64 104.279 -7.222 2.557 1.00 0.00 C ATOM 613 CD1 LEU A 64 104.055 -5.727 2.783 1.00 0.00 C ATOM 614 CD2 LEU A 64 105.774 -7.484 2.351 1.00 0.00 C ATOM 0 H LEU A 64 102.736 -9.126 1.405 1.00 0.00 H new ATOM 0 HA LEU A 64 102.052 -9.213 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 64 103.673 -7.334 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 64 104.517 -8.760 4.063 1.00 0.00 H new ATOM 0 HG LEU A 64 103.728 -7.545 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 64 104.407 -5.171 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 64 102.992 -5.536 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 64 104.606 -5.406 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 64 106.125 -6.927 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 64 106.325 -7.162 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 64 105.938 -8.549 2.190 1.00 0.00 H new ATOM 626 N ALA A 65 100.484 -7.331 3.997 1.00 0.00 N ATOM 627 CA ALA A 65 99.412 -6.334 3.695 1.00 0.00 C ATOM 628 C ALA A 65 99.957 -4.908 3.808 1.00 0.00 C ATOM 629 O ALA A 65 100.638 -4.567 4.756 1.00 0.00 O ATOM 630 CB ALA A 65 98.332 -6.578 4.751 1.00 0.00 C ATOM 0 H ALA A 65 100.452 -7.727 4.936 1.00 0.00 H new ATOM 0 HA ALA A 65 99.027 -6.444 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 65 97.508 -5.882 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 65 97.964 -7.601 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 65 98.754 -6.425 5.745 1.00 0.00 H new ATOM 636 N GLY A 66 99.654 -4.074 2.846 1.00 0.00 N ATOM 637 CA GLY A 66 100.144 -2.665 2.884 1.00 0.00 C ATOM 638 C GLY A 66 98.994 -1.735 3.300 1.00 0.00 C ATOM 639 O GLY A 66 98.045 -2.178 3.916 1.00 0.00 O ATOM 0 H GLY A 66 99.086 -4.311 2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 66 100.972 -2.575 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 66 100.525 -2.374 1.905 1.00 0.00 H new ATOM 643 N PRO A 67 99.107 -0.470 2.954 1.00 0.00 N ATOM 644 CA PRO A 67 98.044 0.504 3.311 1.00 0.00 C ATOM 645 C PRO A 67 96.785 0.257 2.476 1.00 0.00 C ATOM 646 O PRO A 67 95.676 0.320 2.976 1.00 0.00 O ATOM 647 CB PRO A 67 98.663 1.856 2.972 1.00 0.00 C ATOM 648 CG PRO A 67 99.687 1.556 1.930 1.00 0.00 C ATOM 649 CD PRO A 67 100.204 0.171 2.210 1.00 0.00 C ATOM 0 HA PRO A 67 97.735 0.432 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 67 97.912 2.553 2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 67 99.116 2.315 3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.250 1.611 0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 67 100.497 2.285 1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 67 100.429 -0.366 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 67 101.123 0.198 2.796 1.00 0.00 H new ATOM 657 N LYS A 68 96.949 -0.022 1.209 1.00 0.00 N ATOM 658 CA LYS A 68 95.765 -0.276 0.330 1.00 0.00 C ATOM 659 C LYS A 68 95.107 -1.607 0.701 1.00 0.00 C ATOM 660 O LYS A 68 93.909 -1.774 0.570 1.00 0.00 O ATOM 661 CB LYS A 68 96.325 -0.336 -1.092 1.00 0.00 C ATOM 662 CG LYS A 68 96.828 1.048 -1.506 1.00 0.00 C ATOM 663 CD LYS A 68 97.386 0.982 -2.929 1.00 0.00 C ATOM 664 CE LYS A 68 97.891 2.365 -3.346 1.00 0.00 C ATOM 665 NZ LYS A 68 98.602 2.142 -4.635 1.00 0.00 N ATOM 0 H LYS A 68 97.854 -0.085 0.742 1.00 0.00 H new ATOM 0 HA LYS A 68 95.004 0.497 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 68 97.139 -1.060 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 68 95.553 -0.675 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 68 96.015 1.772 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 68 97.601 1.388 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 68 98.198 0.257 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 68 96.613 0.643 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 68 97.066 3.067 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 68 98.559 2.785 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 98.978 3.046 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 99.386 1.475 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 97.939 1.749 -5.333 1.00 0.00 H new ATOM 679 N GLY A 69 95.886 -2.553 1.159 1.00 0.00 N ATOM 680 CA GLY A 69 95.320 -3.881 1.538 1.00 0.00 C ATOM 681 C GLY A 69 96.325 -4.984 1.177 1.00 0.00 C ATOM 682 O GLY A 69 97.516 -4.743 1.165 1.00 0.00 O ATOM 0 H GLY A 69 96.894 -2.462 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 69 95.104 -3.905 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 69 94.377 -4.049 1.018 1.00 0.00 H new ATOM 686 N PRO A 70 95.823 -6.166 0.889 1.00 0.00 N ATOM 687 CA PRO A 70 96.720 -7.291 0.526 1.00 0.00 C ATOM 688 C PRO A 70 97.287 -7.086 -0.882 1.00 0.00 C ATOM 689 O PRO A 70 96.577 -6.709 -1.796 1.00 0.00 O ATOM 690 CB PRO A 70 95.809 -8.513 0.570 1.00 0.00 C ATOM 691 CG PRO A 70 94.431 -7.978 0.339 1.00 0.00 C ATOM 692 CD PRO A 70 94.406 -6.569 0.872 1.00 0.00 C ATOM 0 HA PRO A 70 97.578 -7.384 1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.084 -9.238 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 70 95.878 -9.023 1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 70 94.186 -7.992 -0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 70 93.689 -8.595 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 70 93.813 -5.913 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 70 93.968 -6.528 1.869 1.00 0.00 H new ATOM 700 N ILE A 71 98.560 -7.329 -1.058 1.00 0.00 N ATOM 701 CA ILE A 71 99.185 -7.147 -2.404 1.00 0.00 C ATOM 702 C ILE A 71 100.041 -8.364 -2.768 1.00 0.00 C ATOM 703 O ILE A 71 100.430 -9.138 -1.913 1.00 0.00 O ATOM 704 CB ILE A 71 100.056 -5.891 -2.279 1.00 0.00 C ATOM 705 CG1 ILE A 71 101.080 -6.072 -1.151 1.00 0.00 C ATOM 706 CG2 ILE A 71 99.169 -4.685 -1.966 1.00 0.00 C ATOM 707 CD1 ILE A 71 102.313 -5.210 -1.438 1.00 0.00 C ATOM 0 H ILE A 71 99.196 -7.646 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 71 98.437 -7.044 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 71 100.582 -5.728 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 71 100.639 -5.788 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 71 101.367 -7.121 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 71 99.787 -3.792 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 71 98.446 -4.547 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 71 98.641 -4.856 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 71 103.041 -5.338 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 71 102.758 -5.515 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 71 102.019 -4.162 -1.497 1.00 0.00 H new ATOM 719 N THR A 72 100.340 -8.530 -4.031 1.00 0.00 N ATOM 720 CA THR A 72 101.177 -9.688 -4.465 1.00 0.00 C ATOM 721 C THR A 72 102.531 -9.185 -4.972 1.00 0.00 C ATOM 722 O THR A 72 102.602 -8.255 -5.754 1.00 0.00 O ATOM 723 CB THR A 72 100.388 -10.348 -5.598 1.00 0.00 C ATOM 724 OG1 THR A 72 99.073 -10.640 -5.149 1.00 0.00 O ATOM 725 CG2 THR A 72 101.083 -11.644 -6.020 1.00 0.00 C ATOM 0 H THR A 72 100.039 -7.910 -4.783 1.00 0.00 H new ATOM 0 HA THR A 72 101.376 -10.387 -3.653 1.00 0.00 H new ATOM 0 HB THR A 72 100.340 -9.670 -6.450 1.00 0.00 H new ATOM 0 HG1 THR A 72 98.566 -11.061 -5.874 1.00 0.00 H new ATOM 0 HG21 THR A 72 100.520 -12.113 -6.827 1.00 0.00 H new ATOM 0 HG22 THR A 72 102.093 -11.420 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 72 101.132 -12.324 -5.169 1.00 0.00 H new ATOM 733 N GLN A 73 103.605 -9.788 -4.526 1.00 0.00 N ATOM 734 CA GLN A 73 104.961 -9.339 -4.972 1.00 0.00 C ATOM 735 C GLN A 73 105.097 -9.471 -6.492 1.00 0.00 C ATOM 736 O GLN A 73 104.896 -10.532 -7.053 1.00 0.00 O ATOM 737 CB GLN A 73 105.947 -10.271 -4.265 1.00 0.00 C ATOM 738 CG GLN A 73 105.961 -9.958 -2.768 1.00 0.00 C ATOM 739 CD GLN A 73 106.777 -11.021 -2.031 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.860 -12.152 -2.469 1.00 0.00 O ATOM 741 NE2 GLN A 73 107.389 -10.704 -0.922 1.00 0.00 N ATOM 0 H GLN A 73 103.602 -10.571 -3.873 1.00 0.00 H new ATOM 0 HA GLN A 73 105.143 -8.292 -4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 73 105.662 -11.310 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 73 106.946 -10.146 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.391 -8.971 -2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 73 104.942 -9.934 -2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 73 107.319 -9.755 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 73 107.937 -11.405 -0.423 1.00 0.00 H new ATOM 750 N MET A 74 105.447 -8.397 -7.155 1.00 0.00 N ATOM 751 CA MET A 74 105.612 -8.445 -8.637 1.00 0.00 C ATOM 752 C MET A 74 107.066 -8.759 -8.989 1.00 0.00 C ATOM 753 O MET A 74 107.351 -9.403 -9.982 1.00 0.00 O ATOM 754 CB MET A 74 105.230 -7.047 -9.126 1.00 0.00 C ATOM 755 CG MET A 74 103.756 -6.781 -8.815 1.00 0.00 C ATOM 756 SD MET A 74 102.719 -7.816 -9.876 1.00 0.00 S ATOM 757 CE MET A 74 102.904 -6.848 -11.393 1.00 0.00 C ATOM 0 H MET A 74 105.626 -7.487 -6.730 1.00 0.00 H new ATOM 0 HA MET A 74 104.996 -9.217 -9.099 1.00 0.00 H new ATOM 0 HB2 MET A 74 105.856 -6.297 -8.641 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.407 -6.965 -10.198 1.00 0.00 H new ATOM 0 HG2 MET A 74 103.550 -6.996 -7.766 1.00 0.00 H new ATOM 0 HG3 MET A 74 103.523 -5.728 -8.976 1.00 0.00 H new ATOM 0 HE1 MET A 74 101.924 -6.515 -11.734 1.00 0.00 H new ATOM 0 HE2 MET A 74 103.534 -5.981 -11.197 1.00 0.00 H new ATOM 0 HE3 MET A 74 103.366 -7.465 -12.164 1.00 0.00 H new ATOM 767 N TYR A 75 107.988 -8.308 -8.176 1.00 0.00 N ATOM 768 CA TYR A 75 109.432 -8.575 -8.448 1.00 0.00 C ATOM 769 C TYR A 75 110.038 -9.381 -7.296 1.00 0.00 C ATOM 770 O TYR A 75 109.893 -9.026 -6.141 1.00 0.00 O ATOM 771 CB TYR A 75 110.089 -7.193 -8.530 1.00 0.00 C ATOM 772 CG TYR A 75 109.457 -6.386 -9.641 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.480 -6.863 -10.958 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.850 -5.158 -9.353 1.00 0.00 C ATOM 775 CE1 TYR A 75 108.895 -6.112 -11.985 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.265 -4.407 -10.379 1.00 0.00 C ATOM 777 CZ TYR A 75 108.287 -4.883 -11.696 1.00 0.00 C ATOM 778 OH TYR A 75 107.711 -4.144 -12.708 1.00 0.00 O ATOM 0 H TYR A 75 107.801 -7.765 -7.333 1.00 0.00 H new ATOM 0 HA TYR A 75 109.580 -9.150 -9.362 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.976 -6.670 -7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.159 -7.300 -8.710 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.949 -7.810 -11.181 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.833 -4.790 -8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.912 -6.480 -13.000 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.796 -3.460 -10.155 1.00 0.00 H new ATOM 0 HH TYR A 75 107.333 -3.319 -12.337 1.00 0.00 H new ATOM 788 N THR A 76 110.716 -10.459 -7.601 1.00 0.00 N ATOM 789 CA THR A 76 111.333 -11.288 -6.521 1.00 0.00 C ATOM 790 C THR A 76 112.710 -11.795 -6.961 1.00 0.00 C ATOM 791 O THR A 76 112.930 -12.092 -8.119 1.00 0.00 O ATOM 792 CB THR A 76 110.369 -12.458 -6.317 1.00 0.00 C ATOM 793 OG1 THR A 76 110.024 -13.011 -7.579 1.00 0.00 O ATOM 794 CG2 THR A 76 109.107 -11.961 -5.610 1.00 0.00 C ATOM 0 H THR A 76 110.869 -10.800 -8.550 1.00 0.00 H new ATOM 0 HA THR A 76 111.484 -10.721 -5.603 1.00 0.00 H new ATOM 0 HB THR A 76 110.847 -13.223 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 76 109.408 -13.762 -7.450 1.00 0.00 H new ATOM 0 HG21 THR A 76 108.420 -12.794 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 76 109.375 -11.538 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 76 108.626 -11.196 -6.219 1.00 0.00 H new ATOM 802 N ASN A 77 113.634 -11.892 -6.038 1.00 0.00 N ATOM 803 CA ASN A 77 115.002 -12.378 -6.387 1.00 0.00 C ATOM 804 C ASN A 77 115.793 -12.678 -5.110 1.00 0.00 C ATOM 805 O ASN A 77 116.302 -11.780 -4.467 1.00 0.00 O ATOM 806 CB ASN A 77 115.645 -11.223 -7.155 1.00 0.00 C ATOM 807 CG ASN A 77 116.581 -11.779 -8.228 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.348 -12.796 -7.945 1.00 0.00 O flip ATOM 809 ND2 ASN A 77 116.615 -11.284 -9.337 1.00 0.00 N flip ATOM 0 H ASN A 77 113.498 -11.655 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 77 114.980 -13.297 -6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.874 -10.605 -7.615 1.00 0.00 H new ATOM 0 HB3 ASN A 77 116.200 -10.582 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 77 116.016 -10.489 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 77 117.243 -11.663 -10.046 1.00 0.00 H new ATOM 816 N VAL A 78 115.897 -13.931 -4.736 1.00 0.00 N ATOM 817 CA VAL A 78 116.655 -14.279 -3.495 1.00 0.00 C ATOM 818 C VAL A 78 118.157 -14.047 -3.718 1.00 0.00 C ATOM 819 O VAL A 78 118.841 -13.517 -2.863 1.00 0.00 O ATOM 820 CB VAL A 78 116.344 -15.765 -3.229 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.249 -16.317 -2.116 1.00 0.00 C ATOM 822 CG2 VAL A 78 114.886 -15.906 -2.784 1.00 0.00 C ATOM 0 H VAL A 78 115.492 -14.723 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 78 116.369 -13.663 -2.643 1.00 0.00 H new ATOM 0 HB VAL A 78 116.521 -16.324 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.014 -17.367 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.293 -16.223 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.083 -15.752 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 78 114.663 -16.956 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 78 114.727 -15.331 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.228 -15.531 -3.568 1.00 0.00 H new ATOM 832 N ASP A 79 118.669 -14.441 -4.857 1.00 0.00 N ATOM 833 CA ASP A 79 120.127 -14.245 -5.134 1.00 0.00 C ATOM 834 C ASP A 79 120.478 -12.757 -5.083 1.00 0.00 C ATOM 835 O ASP A 79 121.472 -12.363 -4.501 1.00 0.00 O ATOM 836 CB ASP A 79 120.347 -14.789 -6.546 1.00 0.00 C ATOM 837 CG ASP A 79 120.418 -16.319 -6.511 1.00 0.00 C ATOM 838 OD1 ASP A 79 120.058 -16.931 -7.502 1.00 0.00 O ATOM 839 OD2 ASP A 79 120.835 -16.853 -5.495 1.00 0.00 O ATOM 0 H ASP A 79 118.142 -14.889 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 79 120.753 -14.751 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.535 -14.469 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 79 121.269 -14.383 -6.962 1.00 0.00 H new ATOM 844 N GLN A 80 119.660 -11.935 -5.681 1.00 0.00 N ATOM 845 CA GLN A 80 119.921 -10.466 -5.673 1.00 0.00 C ATOM 846 C GLN A 80 119.256 -9.807 -4.457 1.00 0.00 C ATOM 847 O GLN A 80 119.466 -8.638 -4.192 1.00 0.00 O ATOM 848 CB GLN A 80 119.296 -9.946 -6.974 1.00 0.00 C ATOM 849 CG GLN A 80 120.397 -9.560 -7.964 1.00 0.00 C ATOM 850 CD GLN A 80 119.810 -9.474 -9.373 1.00 0.00 C ATOM 851 OE1 GLN A 80 119.343 -10.459 -9.911 1.00 0.00 O ATOM 852 NE2 GLN A 80 119.814 -8.329 -10.000 1.00 0.00 N ATOM 0 H GLN A 80 118.816 -12.219 -6.178 1.00 0.00 H new ATOM 0 HA GLN A 80 120.985 -10.239 -5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.655 -10.712 -7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 80 118.665 -9.083 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 80 120.835 -8.602 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 80 121.199 -10.297 -7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 80 120.206 -7.502 -9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 80 119.425 -8.261 -10.941 1.00 0.00 H new ATOM 861 N ASP A 81 118.440 -10.535 -3.719 1.00 0.00 N ATOM 862 CA ASP A 81 117.747 -9.941 -2.529 1.00 0.00 C ATOM 863 C ASP A 81 116.987 -8.679 -2.951 1.00 0.00 C ATOM 864 O ASP A 81 116.974 -7.685 -2.251 1.00 0.00 O ATOM 865 CB ASP A 81 118.860 -9.594 -1.531 1.00 0.00 C ATOM 866 CG ASP A 81 118.273 -9.447 -0.122 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.068 -9.304 0.020 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.131 -9.480 0.959 1.00 0.00 O ATOM 0 H ASP A 81 118.226 -11.517 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 81 117.022 -10.626 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.622 -10.374 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.350 -8.667 -1.828 1.00 0.00 H new ATOM 874 N LEU A 82 116.371 -8.718 -4.105 1.00 0.00 N ATOM 875 CA LEU A 82 115.623 -7.528 -4.602 1.00 0.00 C ATOM 876 C LEU A 82 114.147 -7.872 -4.809 1.00 0.00 C ATOM 877 O LEU A 82 113.809 -8.854 -5.444 1.00 0.00 O ATOM 878 CB LEU A 82 116.283 -7.184 -5.937 1.00 0.00 C ATOM 879 CG LEU A 82 115.917 -5.754 -6.330 1.00 0.00 C ATOM 880 CD1 LEU A 82 116.623 -4.779 -5.389 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.367 -5.490 -7.769 1.00 0.00 C ATOM 0 H LEU A 82 116.355 -9.527 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 82 115.656 -6.696 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 82 117.365 -7.285 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.954 -7.880 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 82 114.838 -5.618 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 82 116.366 -3.756 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 82 116.306 -4.969 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.702 -4.915 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 82 116.106 -4.470 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 82 117.446 -5.622 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.869 -6.190 -8.440 1.00 0.00 H new ATOM 893 N VAL A 83 113.270 -7.064 -4.277 1.00 0.00 N ATOM 894 CA VAL A 83 111.809 -7.318 -4.432 1.00 0.00 C ATOM 895 C VAL A 83 111.048 -5.989 -4.342 1.00 0.00 C ATOM 896 O VAL A 83 111.489 -5.072 -3.677 1.00 0.00 O ATOM 897 CB VAL A 83 111.458 -8.261 -3.270 1.00 0.00 C ATOM 898 CG1 VAL A 83 111.674 -7.565 -1.923 1.00 0.00 C ATOM 899 CG2 VAL A 83 110.000 -8.700 -3.384 1.00 0.00 C ATOM 0 H VAL A 83 113.506 -6.231 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 83 111.542 -7.760 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 83 112.111 -9.132 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 83 111.420 -8.250 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 83 112.718 -7.267 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 83 111.038 -6.682 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 83 109.756 -9.368 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 83 109.352 -7.824 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 83 109.850 -9.221 -4.329 1.00 0.00 H new ATOM 909 N GLY A 84 109.921 -5.868 -5.002 1.00 0.00 N ATOM 910 CA GLY A 84 109.160 -4.582 -4.936 1.00 0.00 C ATOM 911 C GLY A 84 107.838 -4.700 -5.697 1.00 0.00 C ATOM 912 O GLY A 84 107.468 -5.759 -6.166 1.00 0.00 O ATOM 0 H GLY A 84 109.499 -6.597 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 84 108.965 -4.321 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.759 -3.776 -5.360 1.00 0.00 H new ATOM 916 N TRP A 85 107.126 -3.607 -5.815 1.00 0.00 N ATOM 917 CA TRP A 85 105.819 -3.623 -6.539 1.00 0.00 C ATOM 918 C TRP A 85 105.793 -2.505 -7.586 1.00 0.00 C ATOM 919 O TRP A 85 106.548 -1.554 -7.504 1.00 0.00 O ATOM 920 CB TRP A 85 104.757 -3.362 -5.466 1.00 0.00 C ATOM 921 CG TRP A 85 104.813 -4.426 -4.416 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.303 -5.672 -4.540 1.00 0.00 C ATOM 923 CD2 TRP A 85 105.400 -4.355 -3.084 1.00 0.00 C ATOM 924 NE1 TRP A 85 104.539 -6.371 -3.369 1.00 0.00 N ATOM 925 CE2 TRP A 85 105.213 -5.601 -2.441 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.070 -3.339 -2.379 1.00 0.00 C ATOM 927 CZ2 TRP A 85 105.674 -5.832 -1.145 1.00 0.00 C ATOM 928 CZ3 TRP A 85 106.535 -3.567 -1.074 1.00 0.00 C ATOM 929 CH2 TRP A 85 106.338 -4.812 -0.458 1.00 0.00 C ATOM 0 H TRP A 85 107.397 -2.699 -5.438 1.00 0.00 H new ATOM 0 HA TRP A 85 105.649 -4.566 -7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 85 104.920 -2.384 -5.013 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.767 -3.341 -5.921 1.00 0.00 H new ATOM 0 HD1 TRP A 85 103.794 -6.059 -5.411 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.251 -7.336 -3.211 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.228 -2.377 -2.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 105.519 -6.792 -0.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 107.047 -2.779 -0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 85 106.699 -4.982 0.546 1.00 0.00 H new ATOM 940 N GLN A 86 104.927 -2.610 -8.563 1.00 0.00 N ATOM 941 CA GLN A 86 104.847 -1.551 -9.613 1.00 0.00 C ATOM 942 C GLN A 86 103.791 -0.510 -9.231 1.00 0.00 C ATOM 943 O GLN A 86 102.677 -0.846 -8.873 1.00 0.00 O ATOM 944 CB GLN A 86 104.441 -2.283 -10.889 1.00 0.00 C ATOM 945 CG GLN A 86 104.545 -1.328 -12.079 1.00 0.00 C ATOM 946 CD GLN A 86 104.239 -2.086 -13.372 1.00 0.00 C ATOM 947 OE1 GLN A 86 103.503 -3.053 -13.364 1.00 0.00 O ATOM 948 NE2 GLN A 86 104.777 -1.685 -14.491 1.00 0.00 N ATOM 0 H GLN A 86 104.272 -3.384 -8.678 1.00 0.00 H new ATOM 0 HA GLN A 86 105.790 -1.019 -9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 86 105.086 -3.148 -11.046 1.00 0.00 H new ATOM 0 HB3 GLN A 86 103.421 -2.658 -10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 86 103.846 -0.500 -11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 86 105.545 -0.897 -12.126 1.00 0.00 H new ATOM 0 HE21 GLN A 86 105.395 -0.873 -14.498 1.00 0.00 H new ATOM 0 HE22 GLN A 86 104.580 -2.183 -15.359 1.00 0.00 H new ATOM 957 N ALA A 87 104.135 0.752 -9.301 1.00 0.00 N ATOM 958 CA ALA A 87 103.158 1.823 -8.940 1.00 0.00 C ATOM 959 C ALA A 87 102.757 2.627 -10.187 1.00 0.00 C ATOM 960 O ALA A 87 103.464 2.615 -11.175 1.00 0.00 O ATOM 961 CB ALA A 87 103.899 2.715 -7.943 1.00 0.00 C ATOM 0 H ALA A 87 105.053 1.087 -9.594 1.00 0.00 H new ATOM 0 HA ALA A 87 102.239 1.415 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 87 103.246 3.529 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 87 104.189 2.126 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.791 3.127 -8.416 1.00 0.00 H new ATOM 967 N PRO A 88 101.629 3.303 -10.110 1.00 0.00 N ATOM 968 CA PRO A 88 101.153 4.109 -11.263 1.00 0.00 C ATOM 969 C PRO A 88 102.019 5.370 -11.437 1.00 0.00 C ATOM 970 O PRO A 88 102.675 5.793 -10.507 1.00 0.00 O ATOM 971 CB PRO A 88 99.724 4.483 -10.879 1.00 0.00 C ATOM 972 CG PRO A 88 99.695 4.426 -9.386 1.00 0.00 C ATOM 973 CD PRO A 88 100.701 3.386 -8.966 1.00 0.00 C ATOM 0 HA PRO A 88 101.208 3.570 -12.209 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.466 5.478 -11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 88 99.004 3.789 -11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 88 99.943 5.397 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 88 98.699 4.165 -9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 88 101.219 3.678 -8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 88 100.224 2.426 -8.769 1.00 0.00 H new ATOM 981 N PRO A 89 101.994 5.936 -12.626 1.00 0.00 N ATOM 982 CA PRO A 89 102.792 7.158 -12.893 1.00 0.00 C ATOM 983 C PRO A 89 102.131 8.380 -12.246 1.00 0.00 C ATOM 984 O PRO A 89 100.954 8.365 -11.935 1.00 0.00 O ATOM 985 CB PRO A 89 102.774 7.277 -14.414 1.00 0.00 C ATOM 986 CG PRO A 89 101.536 6.560 -14.851 1.00 0.00 C ATOM 987 CD PRO A 89 101.238 5.506 -13.816 1.00 0.00 C ATOM 0 HA PRO A 89 103.802 7.105 -12.487 1.00 0.00 H new ATOM 0 HB2 PRO A 89 102.755 8.321 -14.727 1.00 0.00 H new ATOM 0 HB3 PRO A 89 103.665 6.828 -14.854 1.00 0.00 H new ATOM 0 HG2 PRO A 89 100.702 7.255 -14.942 1.00 0.00 H new ATOM 0 HG3 PRO A 89 101.681 6.106 -15.831 1.00 0.00 H new ATOM 0 HD2 PRO A 89 100.170 5.445 -13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 89 101.554 4.519 -14.152 1.00 0.00 H new ATOM 995 N GLY A 90 102.880 9.434 -12.044 1.00 0.00 N ATOM 996 CA GLY A 90 102.302 10.661 -11.418 1.00 0.00 C ATOM 997 C GLY A 90 102.957 10.934 -10.055 1.00 0.00 C ATOM 998 O GLY A 90 102.676 11.936 -9.424 1.00 0.00 O ATOM 0 H GLY A 90 103.869 9.498 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 90 102.451 11.516 -12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 90 101.226 10.539 -11.292 1.00 0.00 H new ATOM 1002 N ALA A 91 103.822 10.060 -9.591 1.00 0.00 N ATOM 1003 CA ALA A 91 104.482 10.286 -8.269 1.00 0.00 C ATOM 1004 C ALA A 91 105.965 10.612 -8.468 1.00 0.00 C ATOM 1005 O ALA A 91 106.619 10.057 -9.332 1.00 0.00 O ATOM 1006 CB ALA A 91 104.320 8.966 -7.516 1.00 0.00 C ATOM 0 H ALA A 91 104.097 9.203 -10.071 1.00 0.00 H new ATOM 0 HA ALA A 91 104.043 11.122 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.780 9.050 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.260 8.739 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.804 8.166 -8.076 1.00 0.00 H new ATOM 1012 N ARG A 92 106.499 11.508 -7.674 1.00 0.00 N ATOM 1013 CA ARG A 92 107.943 11.874 -7.814 1.00 0.00 C ATOM 1014 C ARG A 92 108.823 10.641 -7.591 1.00 0.00 C ATOM 1015 O ARG A 92 108.558 9.827 -6.726 1.00 0.00 O ATOM 1016 CB ARG A 92 108.202 12.924 -6.730 1.00 0.00 C ATOM 1017 CG ARG A 92 109.649 13.415 -6.828 1.00 0.00 C ATOM 1018 CD ARG A 92 109.846 14.621 -5.906 1.00 0.00 C ATOM 1019 NE ARG A 92 111.295 14.978 -6.031 1.00 0.00 N ATOM 1020 CZ ARG A 92 111.763 16.118 -5.565 1.00 0.00 C ATOM 1021 NH1 ARG A 92 110.961 17.071 -5.150 1.00 0.00 N ATOM 1022 NH2 ARG A 92 113.054 16.307 -5.519 1.00 0.00 N ATOM 0 H ARG A 92 105.998 12.001 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 92 108.175 12.256 -8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 92 107.514 13.761 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 92 108.018 12.497 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 92 110.335 12.615 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 92 109.882 13.689 -7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 92 109.208 15.453 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 92 109.588 14.375 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 92 111.933 14.325 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 92 109.950 16.938 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 92 111.349 17.945 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 92 113.688 15.576 -5.842 1.00 0.00 H new ATOM 0 HH22 ARG A 92 113.428 17.185 -5.160 1.00 0.00 H new ATOM 1036 N SER A 93 109.865 10.499 -8.370 1.00 0.00 N ATOM 1037 CA SER A 93 110.767 9.319 -8.217 1.00 0.00 C ATOM 1038 C SER A 93 112.232 9.764 -8.213 1.00 0.00 C ATOM 1039 O SER A 93 112.571 10.816 -8.722 1.00 0.00 O ATOM 1040 CB SER A 93 110.478 8.444 -9.435 1.00 0.00 C ATOM 1041 OG SER A 93 109.108 8.066 -9.427 1.00 0.00 O ATOM 0 H SER A 93 110.130 11.152 -9.107 1.00 0.00 H new ATOM 0 HA SER A 93 110.596 8.789 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.712 8.987 -10.351 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.112 7.557 -9.419 1.00 0.00 H new ATOM 0 HG SER A 93 108.796 7.946 -10.348 1.00 0.00 H new ATOM 1047 N LEU A 94 113.098 8.967 -7.641 1.00 0.00 N ATOM 1048 CA LEU A 94 114.546 9.331 -7.598 1.00 0.00 C ATOM 1049 C LEU A 94 115.273 8.757 -8.818 1.00 0.00 C ATOM 1050 O LEU A 94 114.777 7.867 -9.485 1.00 0.00 O ATOM 1051 CB LEU A 94 115.076 8.699 -6.312 1.00 0.00 C ATOM 1052 CG LEU A 94 114.387 9.338 -5.105 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.808 8.604 -3.830 1.00 0.00 C ATOM 1054 CD2 LEU A 94 114.797 10.809 -5.003 1.00 0.00 C ATOM 0 H LEU A 94 112.864 8.077 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 94 114.701 10.410 -7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.894 7.624 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 94 116.155 8.839 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 94 113.306 9.269 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 94 114.317 9.059 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.518 7.556 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.889 8.674 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.306 11.265 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.878 10.878 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 94 114.499 11.334 -5.911 1.00 0.00 H new ATOM 1066 N THR A 95 116.444 9.262 -9.110 1.00 0.00 N ATOM 1067 CA THR A 95 117.216 8.755 -10.283 1.00 0.00 C ATOM 1068 C THR A 95 118.578 8.211 -9.823 1.00 0.00 C ATOM 1069 O THR A 95 118.997 8.479 -8.715 1.00 0.00 O ATOM 1070 CB THR A 95 117.401 9.972 -11.193 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.769 11.100 -10.407 1.00 0.00 O ATOM 1072 CG2 THR A 95 116.094 10.261 -11.936 1.00 0.00 C ATOM 0 H THR A 95 116.900 10.007 -8.584 1.00 0.00 H new ATOM 0 HA THR A 95 116.705 7.940 -10.795 1.00 0.00 H new ATOM 0 HB THR A 95 118.187 9.767 -11.919 1.00 0.00 H new ATOM 0 HG1 THR A 95 118.723 11.286 -10.529 1.00 0.00 H new ATOM 0 HG21 THR A 95 116.227 11.128 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.820 9.396 -12.540 1.00 0.00 H new ATOM 0 HG23 THR A 95 115.303 10.465 -11.215 1.00 0.00 H new ATOM 1080 N PRO A 96 119.235 7.464 -10.684 1.00 0.00 N ATOM 1081 CA PRO A 96 120.560 6.896 -10.324 1.00 0.00 C ATOM 1082 C PRO A 96 121.606 8.011 -10.231 1.00 0.00 C ATOM 1083 O PRO A 96 121.386 9.115 -10.691 1.00 0.00 O ATOM 1084 CB PRO A 96 120.872 5.944 -11.478 1.00 0.00 C ATOM 1085 CG PRO A 96 120.075 6.466 -12.630 1.00 0.00 C ATOM 1086 CD PRO A 96 118.829 7.077 -12.048 1.00 0.00 C ATOM 0 HA PRO A 96 120.565 6.393 -9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.938 5.935 -11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 96 120.590 4.920 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.644 7.207 -13.191 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.825 5.663 -13.324 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.497 7.939 -12.627 1.00 0.00 H new ATOM 0 HD3 PRO A 96 118.003 6.366 -12.034 1.00 0.00 H new ATOM 1094 N CYS A 97 122.737 7.730 -9.635 1.00 0.00 N ATOM 1095 CA CYS A 97 123.798 8.775 -9.505 1.00 0.00 C ATOM 1096 C CYS A 97 124.502 8.990 -10.846 1.00 0.00 C ATOM 1097 O CYS A 97 124.969 8.056 -11.471 1.00 0.00 O ATOM 1098 CB CYS A 97 124.780 8.233 -8.466 1.00 0.00 C ATOM 1099 SG CYS A 97 125.775 9.597 -7.812 1.00 0.00 S ATOM 0 H CYS A 97 122.972 6.822 -9.233 1.00 0.00 H new ATOM 0 HA CYS A 97 123.384 9.738 -9.206 1.00 0.00 H new ATOM 0 HB2 CYS A 97 124.238 7.743 -7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 97 125.426 7.481 -8.918 1.00 0.00 H new ATOM 0 HG CYS A 97 125.038 10.342 -7.043 1.00 0.00 H new ATOM 1104 N THR A 98 124.585 10.219 -11.282 1.00 0.00 N ATOM 1105 CA THR A 98 125.261 10.521 -12.577 1.00 0.00 C ATOM 1106 C THR A 98 126.282 11.642 -12.376 1.00 0.00 C ATOM 1107 O THR A 98 126.349 12.579 -13.149 1.00 0.00 O ATOM 1108 CB THR A 98 124.141 10.973 -13.517 1.00 0.00 C ATOM 1109 OG1 THR A 98 123.438 12.057 -12.925 1.00 0.00 O ATOM 1110 CG2 THR A 98 123.177 9.810 -13.760 1.00 0.00 C ATOM 0 H THR A 98 124.211 11.032 -10.793 1.00 0.00 H new ATOM 0 HA THR A 98 125.799 9.662 -12.978 1.00 0.00 H new ATOM 0 HB THR A 98 124.569 11.292 -14.467 1.00 0.00 H new ATOM 0 HG1 THR A 98 122.721 12.349 -13.526 1.00 0.00 H new ATOM 0 HG21 THR A 98 122.379 10.132 -14.429 1.00 0.00 H new ATOM 0 HG22 THR A 98 123.717 8.978 -14.213 1.00 0.00 H new ATOM 0 HG23 THR A 98 122.747 9.490 -12.811 1.00 0.00 H new ATOM 1118 N CYS A 99 127.068 11.555 -11.332 1.00 0.00 N ATOM 1119 CA CYS A 99 128.083 12.620 -11.060 1.00 0.00 C ATOM 1120 C CYS A 99 129.366 12.032 -10.447 1.00 0.00 C ATOM 1121 O CYS A 99 130.214 12.760 -9.968 1.00 0.00 O ATOM 1122 CB CYS A 99 127.401 13.576 -10.070 1.00 0.00 C ATOM 1123 SG CYS A 99 126.910 12.685 -8.564 1.00 0.00 S ATOM 0 H CYS A 99 127.051 10.792 -10.655 1.00 0.00 H new ATOM 0 HA CYS A 99 128.390 13.122 -11.977 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.080 14.389 -9.814 1.00 0.00 H new ATOM 0 HB3 CYS A 99 126.525 14.027 -10.535 1.00 0.00 H new ATOM 1128 N GLY A 100 129.525 10.726 -10.467 1.00 0.00 N ATOM 1129 CA GLY A 100 130.761 10.098 -9.897 1.00 0.00 C ATOM 1130 C GLY A 100 130.991 10.573 -8.456 1.00 0.00 C ATOM 1131 O GLY A 100 132.070 11.020 -8.110 1.00 0.00 O ATOM 0 H GLY A 100 128.849 10.068 -10.855 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.667 9.012 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.623 10.355 -10.513 1.00 0.00 H new ATOM 1135 N SER A 101 129.989 10.483 -7.618 1.00 0.00 N ATOM 1136 CA SER A 101 130.150 10.931 -6.202 1.00 0.00 C ATOM 1137 C SER A 101 130.570 9.756 -5.315 1.00 0.00 C ATOM 1138 O SER A 101 129.779 8.881 -5.015 1.00 0.00 O ATOM 1139 CB SER A 101 128.772 11.446 -5.790 1.00 0.00 C ATOM 1140 OG SER A 101 128.709 12.850 -6.013 1.00 0.00 O ATOM 0 H SER A 101 129.066 10.118 -7.854 1.00 0.00 H new ATOM 0 HA SER A 101 130.920 11.696 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 101 127.995 10.940 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.588 11.224 -4.739 1.00 0.00 H new ATOM 0 HG SER A 101 128.166 13.031 -6.808 1.00 0.00 H new ATOM 1146 N SER A 102 131.809 9.734 -4.889 1.00 0.00 N ATOM 1147 CA SER A 102 132.285 8.619 -4.012 1.00 0.00 C ATOM 1148 C SER A 102 131.642 8.733 -2.628 1.00 0.00 C ATOM 1149 O SER A 102 131.255 7.746 -2.031 1.00 0.00 O ATOM 1150 CB SER A 102 133.801 8.795 -3.916 1.00 0.00 C ATOM 1151 OG SER A 102 134.092 9.952 -3.142 1.00 0.00 O ATOM 0 H SER A 102 132.511 10.440 -5.111 1.00 0.00 H new ATOM 0 HA SER A 102 132.020 7.640 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.253 7.915 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.231 8.893 -4.913 1.00 0.00 H new ATOM 0 HG SER A 102 135.063 10.066 -3.077 1.00 0.00 H new ATOM 1157 N ASP A 103 131.523 9.934 -2.120 1.00 0.00 N ATOM 1158 CA ASP A 103 130.901 10.126 -0.775 1.00 0.00 C ATOM 1159 C ASP A 103 129.384 9.956 -0.875 1.00 0.00 C ATOM 1160 O ASP A 103 128.724 10.636 -1.638 1.00 0.00 O ATOM 1161 CB ASP A 103 131.259 11.560 -0.368 1.00 0.00 C ATOM 1162 CG ASP A 103 130.814 11.822 1.076 1.00 0.00 C ATOM 1163 OD1 ASP A 103 131.407 12.683 1.706 1.00 0.00 O ATOM 1164 OD2 ASP A 103 129.889 11.166 1.527 1.00 0.00 O ATOM 0 H ASP A 103 131.830 10.791 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 103 131.258 9.400 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 103 132.334 11.715 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.776 12.269 -1.040 1.00 0.00 H new ATOM 1169 N LEU A 104 128.831 9.049 -0.112 1.00 0.00 N ATOM 1170 CA LEU A 104 127.356 8.822 -0.156 1.00 0.00 C ATOM 1171 C LEU A 104 126.777 8.833 1.261 1.00 0.00 C ATOM 1172 O LEU A 104 127.446 8.480 2.214 1.00 0.00 O ATOM 1173 CB LEU A 104 127.190 7.440 -0.793 1.00 0.00 C ATOM 1174 CG LEU A 104 127.776 7.452 -2.207 1.00 0.00 C ATOM 1175 CD1 LEU A 104 127.842 6.022 -2.748 1.00 0.00 C ATOM 1176 CD2 LEU A 104 126.886 8.302 -3.119 1.00 0.00 C ATOM 0 H LEU A 104 129.340 8.454 0.542 1.00 0.00 H new ATOM 0 HA LEU A 104 126.834 9.597 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 104 127.693 6.686 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.135 7.169 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 104 128.780 7.875 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.259 6.033 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 104 128.475 5.416 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 104 126.839 5.597 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.302 8.312 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 104 125.882 7.879 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.840 9.321 -2.735 1.00 0.00 H new ATOM 1188 N TYR A 105 125.541 9.232 1.405 1.00 0.00 N ATOM 1189 CA TYR A 105 124.912 9.266 2.760 1.00 0.00 C ATOM 1190 C TYR A 105 123.901 8.125 2.893 1.00 0.00 C ATOM 1191 O TYR A 105 123.095 7.897 2.013 1.00 0.00 O ATOM 1192 CB TYR A 105 124.209 10.621 2.834 1.00 0.00 C ATOM 1193 CG TYR A 105 125.240 11.724 2.822 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.773 12.198 4.025 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.664 12.269 1.604 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.731 13.219 4.012 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.622 13.290 1.591 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.156 13.765 2.795 1.00 0.00 C ATOM 1199 OH TYR A 105 128.099 14.771 2.781 1.00 0.00 O ATOM 0 H TYR A 105 124.938 9.537 0.641 1.00 0.00 H new ATOM 0 HA TYR A 105 125.640 9.143 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.528 10.736 1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.607 10.681 3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.446 11.777 4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.252 11.902 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 105 127.142 13.585 4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 105 126.949 13.711 0.652 1.00 0.00 H new ATOM 0 HH TYR A 105 128.282 15.035 1.855 1.00 0.00 H new ATOM 1209 N LEU A 106 123.943 7.406 3.986 1.00 0.00 N ATOM 1210 CA LEU A 106 122.990 6.272 4.181 1.00 0.00 C ATOM 1211 C LEU A 106 121.816 6.705 5.063 1.00 0.00 C ATOM 1212 O LEU A 106 122.002 7.271 6.123 1.00 0.00 O ATOM 1213 CB LEU A 106 123.811 5.184 4.875 1.00 0.00 C ATOM 1214 CG LEU A 106 122.998 3.887 4.936 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.932 2.688 4.753 1.00 0.00 C ATOM 1216 CD2 LEU A 106 122.301 3.783 6.296 1.00 0.00 C ATOM 0 H LEU A 106 124.598 7.556 4.753 1.00 0.00 H new ATOM 0 HA LEU A 106 122.563 5.926 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.742 5.016 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.080 5.504 5.882 1.00 0.00 H new ATOM 0 HG LEU A 106 122.251 3.892 4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 106 123.353 1.766 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 106 124.430 2.759 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.680 2.685 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.723 2.860 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 106 123.049 3.780 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.635 4.635 6.429 1.00 0.00 H new ATOM 1228 N VAL A 107 120.610 6.438 4.628 1.00 0.00 N ATOM 1229 CA VAL A 107 119.414 6.828 5.435 1.00 0.00 C ATOM 1230 C VAL A 107 119.073 5.711 6.426 1.00 0.00 C ATOM 1231 O VAL A 107 118.860 4.575 6.044 1.00 0.00 O ATOM 1232 CB VAL A 107 118.284 7.013 4.415 1.00 0.00 C ATOM 1233 CG1 VAL A 107 116.997 7.419 5.138 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.669 8.108 3.416 1.00 0.00 C ATOM 0 H VAL A 107 120.402 5.966 3.748 1.00 0.00 H new ATOM 0 HA VAL A 107 119.580 7.735 6.017 1.00 0.00 H new ATOM 0 HB VAL A 107 118.123 6.074 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.196 7.550 4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.718 6.641 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.159 8.356 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.865 8.239 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.833 9.045 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.583 7.821 2.896 1.00 0.00 H new ATOM 1244 N THR A 108 119.026 6.027 7.695 1.00 0.00 N ATOM 1245 CA THR A 108 118.705 4.989 8.721 1.00 0.00 C ATOM 1246 C THR A 108 117.242 5.103 9.155 1.00 0.00 C ATOM 1247 O THR A 108 116.574 6.080 8.869 1.00 0.00 O ATOM 1248 CB THR A 108 119.639 5.291 9.894 1.00 0.00 C ATOM 1249 OG1 THR A 108 120.933 5.608 9.400 1.00 0.00 O ATOM 1250 CG2 THR A 108 119.726 4.066 10.807 1.00 0.00 C ATOM 0 H THR A 108 119.197 6.962 8.066 1.00 0.00 H new ATOM 0 HA THR A 108 118.842 3.977 8.340 1.00 0.00 H new ATOM 0 HB THR A 108 119.249 6.137 10.460 1.00 0.00 H new ATOM 0 HG1 THR A 108 121.568 5.646 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 108 120.392 4.282 11.643 1.00 0.00 H new ATOM 0 HG22 THR A 108 118.733 3.824 11.187 1.00 0.00 H new ATOM 0 HG23 THR A 108 120.115 3.218 10.243 1.00 0.00 H new ATOM 1258 N ARG A 109 116.742 4.108 9.843 1.00 0.00 N ATOM 1259 CA ARG A 109 115.319 4.145 10.303 1.00 0.00 C ATOM 1260 C ARG A 109 115.097 5.327 11.253 1.00 0.00 C ATOM 1261 O ARG A 109 114.002 5.845 11.363 1.00 0.00 O ATOM 1262 CB ARG A 109 115.092 2.819 11.033 1.00 0.00 C ATOM 1263 CG ARG A 109 113.632 2.728 11.483 1.00 0.00 C ATOM 1264 CD ARG A 109 113.400 1.403 12.213 1.00 0.00 C ATOM 1265 NE ARG A 109 111.926 1.354 12.460 1.00 0.00 N ATOM 1266 CZ ARG A 109 111.390 1.920 13.523 1.00 0.00 C ATOM 1267 NH1 ARG A 109 112.087 2.713 14.303 1.00 0.00 N ATOM 1268 NH2 ARG A 109 110.137 1.688 13.804 1.00 0.00 N ATOM 0 H ARG A 109 117.259 3.269 10.107 1.00 0.00 H new ATOM 0 HA ARG A 109 114.626 4.271 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.334 1.984 10.376 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.755 2.748 11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.391 3.564 12.140 1.00 0.00 H new ATOM 0 HG3 ARG A 109 112.970 2.800 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 109 113.728 0.557 11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 109 113.959 1.364 13.148 1.00 0.00 H new ATOM 0 HE ARG A 109 111.323 0.873 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 109 113.067 2.903 14.092 1.00 0.00 H new ATOM 0 HH12 ARG A 109 111.649 3.139 15.120 1.00 0.00 H new ATOM 0 HH21 ARG A 109 109.585 1.075 13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 109 109.710 2.120 14.624 1.00 0.00 H new ATOM 1282 N HIS A 110 116.128 5.751 11.942 1.00 0.00 N ATOM 1283 CA HIS A 110 115.983 6.896 12.892 1.00 0.00 C ATOM 1284 C HIS A 110 116.340 8.221 12.206 1.00 0.00 C ATOM 1285 O HIS A 110 116.727 9.176 12.852 1.00 0.00 O ATOM 1286 CB HIS A 110 116.969 6.595 14.021 1.00 0.00 C ATOM 1287 CG HIS A 110 116.540 5.346 14.740 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.932 4.084 14.323 1.00 0.00 N ATOM 1289 CD2 HIS A 110 115.755 5.148 15.848 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.387 3.189 15.168 1.00 0.00 C ATOM 1291 NE2 HIS A 110 115.659 3.785 16.117 1.00 0.00 N ATOM 0 H HIS A 110 117.065 5.352 11.887 1.00 0.00 H new ATOM 0 HA HIS A 110 114.960 7.000 13.253 1.00 0.00 H new ATOM 0 HB2 HIS A 110 117.973 6.468 13.617 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.009 7.433 14.717 1.00 0.00 H new ATOM 0 HD2 HIS A 110 115.283 5.930 16.424 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.522 2.120 15.089 1.00 0.00 H new ATOM 0 HE2 HIS A 110 115.144 3.338 16.875 1.00 0.00 H new ATOM 1299 N ALA A 111 116.207 8.289 10.902 1.00 0.00 N ATOM 1300 CA ALA A 111 116.531 9.552 10.158 1.00 0.00 C ATOM 1301 C ALA A 111 117.961 10.014 10.464 1.00 0.00 C ATOM 1302 O ALA A 111 118.220 11.193 10.612 1.00 0.00 O ATOM 1303 CB ALA A 111 115.515 10.590 10.644 1.00 0.00 C ATOM 0 H ALA A 111 115.886 7.519 10.316 1.00 0.00 H new ATOM 0 HA ALA A 111 116.474 9.405 9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.695 11.539 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.506 10.245 10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.620 10.726 11.720 1.00 0.00 H new ATOM 1309 N ASP A 112 118.886 9.092 10.548 1.00 0.00 N ATOM 1310 CA ASP A 112 120.303 9.470 10.833 1.00 0.00 C ATOM 1311 C ASP A 112 121.067 9.645 9.518 1.00 0.00 C ATOM 1312 O ASP A 112 120.695 9.094 8.499 1.00 0.00 O ATOM 1313 CB ASP A 112 120.874 8.301 11.638 1.00 0.00 C ATOM 1314 CG ASP A 112 120.242 8.275 13.034 1.00 0.00 C ATOM 1315 OD1 ASP A 112 119.893 9.335 13.528 1.00 0.00 O ATOM 1316 OD2 ASP A 112 120.116 7.194 13.584 1.00 0.00 O ATOM 0 H ASP A 112 118.721 8.092 10.431 1.00 0.00 H new ATOM 0 HA ASP A 112 120.382 10.410 11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.677 7.361 11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.956 8.398 11.720 1.00 0.00 H new ATOM 1321 N VAL A 113 122.131 10.409 9.533 1.00 0.00 N ATOM 1322 CA VAL A 113 122.918 10.623 8.281 1.00 0.00 C ATOM 1323 C VAL A 113 124.410 10.370 8.537 1.00 0.00 C ATOM 1324 O VAL A 113 124.971 10.842 9.506 1.00 0.00 O ATOM 1325 CB VAL A 113 122.663 12.086 7.892 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.138 13.021 9.010 1.00 0.00 C ATOM 1327 CG2 VAL A 113 123.420 12.413 6.601 1.00 0.00 C ATOM 0 H VAL A 113 122.488 10.893 10.357 1.00 0.00 H new ATOM 0 HA VAL A 113 122.622 9.940 7.485 1.00 0.00 H new ATOM 0 HB VAL A 113 121.593 12.229 7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 113 122.952 14.056 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 113 122.595 12.796 9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 113 124.206 12.877 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 113 123.238 13.452 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 113 124.488 12.260 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 113 123.073 11.760 5.800 1.00 0.00 H new ATOM 1337 N ILE A 114 125.047 9.629 7.667 1.00 0.00 N ATOM 1338 CA ILE A 114 126.502 9.339 7.842 1.00 0.00 C ATOM 1339 C ILE A 114 127.187 9.244 6.465 1.00 0.00 C ATOM 1340 O ILE A 114 126.663 8.610 5.570 1.00 0.00 O ATOM 1341 CB ILE A 114 126.552 7.991 8.576 1.00 0.00 C ATOM 1342 CG1 ILE A 114 128.013 7.598 8.827 1.00 0.00 C ATOM 1343 CG2 ILE A 114 125.871 6.908 7.734 1.00 0.00 C ATOM 1344 CD1 ILE A 114 128.446 8.100 10.206 1.00 0.00 C ATOM 0 H ILE A 114 124.621 9.211 6.840 1.00 0.00 H new ATOM 0 HA ILE A 114 127.022 10.118 8.399 1.00 0.00 H new ATOM 0 HB ILE A 114 126.029 8.085 9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 114 128.124 6.515 8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 114 128.653 8.025 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 114 125.912 5.956 8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 114 124.830 7.182 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 114 126.385 6.814 6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 114 129.484 7.821 10.385 1.00 0.00 H new ATOM 0 HD12 ILE A 114 128.350 9.185 10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 114 127.813 7.652 10.972 1.00 0.00 H new ATOM 1356 N PRO A 115 128.338 9.871 6.326 1.00 0.00 N ATOM 1357 CA PRO A 115 129.059 9.824 5.032 1.00 0.00 C ATOM 1358 C PRO A 115 129.742 8.466 4.854 1.00 0.00 C ATOM 1359 O PRO A 115 130.303 7.918 5.784 1.00 0.00 O ATOM 1360 CB PRO A 115 130.090 10.941 5.149 1.00 0.00 C ATOM 1361 CG PRO A 115 130.318 11.117 6.617 1.00 0.00 C ATOM 1362 CD PRO A 115 129.065 10.669 7.329 1.00 0.00 C ATOM 0 HA PRO A 115 128.402 9.951 4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 115 131.015 10.677 4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.725 11.862 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.176 10.530 6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.538 12.159 6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.301 10.077 8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.473 11.520 7.664 1.00 0.00 H new ATOM 1370 N VAL A 116 129.696 7.924 3.665 1.00 0.00 N ATOM 1371 CA VAL A 116 130.340 6.600 3.412 1.00 0.00 C ATOM 1372 C VAL A 116 131.234 6.689 2.172 1.00 0.00 C ATOM 1373 O VAL A 116 130.817 7.158 1.129 1.00 0.00 O ATOM 1374 CB VAL A 116 129.177 5.630 3.175 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.723 4.225 2.903 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.281 5.590 4.418 1.00 0.00 C ATOM 0 H VAL A 116 129.239 8.343 2.855 1.00 0.00 H new ATOM 0 HA VAL A 116 130.971 6.276 4.240 1.00 0.00 H new ATOM 0 HB VAL A 116 128.598 5.969 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.893 3.538 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.360 4.247 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.305 3.888 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.454 4.900 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.864 5.254 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.887 6.587 4.615 1.00 0.00 H new ATOM 1386 N ARG A 117 132.458 6.240 2.280 1.00 0.00 N ATOM 1387 CA ARG A 117 133.386 6.295 1.110 1.00 0.00 C ATOM 1388 C ARG A 117 133.070 5.153 0.142 1.00 0.00 C ATOM 1389 O ARG A 117 132.673 4.078 0.552 1.00 0.00 O ATOM 1390 CB ARG A 117 134.787 6.131 1.701 1.00 0.00 C ATOM 1391 CG ARG A 117 135.833 6.502 0.645 1.00 0.00 C ATOM 1392 CD ARG A 117 136.013 8.025 0.608 1.00 0.00 C ATOM 1393 NE ARG A 117 137.369 8.271 1.190 1.00 0.00 N ATOM 1394 CZ ARG A 117 138.452 8.257 0.439 1.00 0.00 C ATOM 1395 NH1 ARG A 117 138.419 7.835 -0.803 1.00 0.00 N ATOM 1396 NH2 ARG A 117 139.582 8.671 0.943 1.00 0.00 N ATOM 0 H ARG A 117 132.856 5.837 3.129 1.00 0.00 H new ATOM 0 HA ARG A 117 133.294 7.225 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.900 6.767 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.936 5.103 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.783 6.019 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.520 6.139 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 117 135.947 8.405 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 117 135.238 8.528 1.187 1.00 0.00 H new ATOM 0 HE ARG A 117 137.457 8.454 2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 117 137.542 7.508 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 117 139.271 7.834 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 117 139.620 9.000 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 117 140.427 8.665 0.372 1.00 0.00 H new ATOM 1410 N ARG A 118 133.241 5.378 -1.135 1.00 0.00 N ATOM 1411 CA ARG A 118 132.946 4.306 -2.131 1.00 0.00 C ATOM 1412 C ARG A 118 134.166 3.395 -2.305 1.00 0.00 C ATOM 1413 O ARG A 118 135.222 3.832 -2.721 1.00 0.00 O ATOM 1414 CB ARG A 118 132.635 5.043 -3.434 1.00 0.00 C ATOM 1415 CG ARG A 118 132.248 4.029 -4.512 1.00 0.00 C ATOM 1416 CD ARG A 118 131.935 4.763 -5.819 1.00 0.00 C ATOM 1417 NE ARG A 118 131.417 3.710 -6.749 1.00 0.00 N ATOM 1418 CZ ARG A 118 131.115 3.991 -8.001 1.00 0.00 C ATOM 1419 NH1 ARG A 118 131.063 5.230 -8.432 1.00 0.00 N ATOM 1420 NH2 ARG A 118 130.858 3.016 -8.828 1.00 0.00 N ATOM 0 H ARG A 118 133.572 6.258 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 118 132.117 3.671 -1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.822 5.753 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.503 5.618 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.061 3.320 -4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.380 3.454 -4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.195 5.548 -5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.826 5.242 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 118 131.295 2.757 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 118 131.259 6.001 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 118 130.827 5.422 -9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 118 130.892 2.050 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 118 130.623 3.220 -9.799 1.00 0.00 H new ATOM 1434 N ARG A 119 134.019 2.134 -1.990 1.00 0.00 N ATOM 1435 CA ARG A 119 135.159 1.181 -2.134 1.00 0.00 C ATOM 1436 C ARG A 119 134.793 0.055 -3.111 1.00 0.00 C ATOM 1437 O ARG A 119 135.386 -1.008 -3.090 1.00 0.00 O ATOM 1438 CB ARG A 119 135.393 0.620 -0.723 1.00 0.00 C ATOM 1439 CG ARG A 119 136.849 0.846 -0.308 1.00 0.00 C ATOM 1440 CD ARG A 119 137.746 -0.185 -1.001 1.00 0.00 C ATOM 1441 NE ARG A 119 139.091 -0.030 -0.362 1.00 0.00 N ATOM 1442 CZ ARG A 119 140.069 -0.877 -0.616 1.00 0.00 C ATOM 1443 NH1 ARG A 119 139.856 -1.993 -1.273 1.00 0.00 N ATOM 1444 NH2 ARG A 119 141.275 -0.601 -0.201 1.00 0.00 N ATOM 0 H ARG A 119 133.155 1.722 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 119 136.051 1.664 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.724 1.106 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 119 135.161 -0.445 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 119 137.162 1.855 -0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.947 0.760 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 119 137.361 -1.196 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.797 -0.004 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 119 139.254 0.745 0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 119 138.917 -2.221 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 119 140.629 -2.632 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 119 141.452 0.262 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 119 142.040 -1.248 -0.391 1.00 0.00 H new ATOM 1458 N GLY A 120 133.821 0.277 -3.963 1.00 0.00 N ATOM 1459 CA GLY A 120 133.417 -0.780 -4.938 1.00 0.00 C ATOM 1460 C GLY A 120 132.032 -0.457 -5.498 1.00 0.00 C ATOM 1461 O GLY A 120 131.337 0.408 -4.997 1.00 0.00 O ATOM 0 H GLY A 120 133.291 1.146 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.144 -0.839 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.405 -1.754 -4.450 1.00 0.00 H new ATOM 1465 N ASP A 121 131.628 -1.145 -6.535 1.00 0.00 N ATOM 1466 CA ASP A 121 130.287 -0.884 -7.141 1.00 0.00 C ATOM 1467 C ASP A 121 129.167 -1.357 -6.204 1.00 0.00 C ATOM 1468 O ASP A 121 128.149 -0.707 -6.068 1.00 0.00 O ATOM 1469 CB ASP A 121 130.270 -1.678 -8.456 1.00 0.00 C ATOM 1470 CG ASP A 121 130.439 -3.178 -8.178 1.00 0.00 C ATOM 1471 OD1 ASP A 121 131.341 -3.531 -7.437 1.00 0.00 O ATOM 1472 OD2 ASP A 121 129.659 -3.948 -8.715 1.00 0.00 O ATOM 0 H ASP A 121 132.171 -1.879 -6.990 1.00 0.00 H new ATOM 0 HA ASP A 121 130.120 0.180 -7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 121 129.331 -1.503 -8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 121 131.071 -1.330 -9.109 1.00 0.00 H new ATOM 1477 N SER A 122 129.348 -2.487 -5.566 1.00 0.00 N ATOM 1478 CA SER A 122 128.292 -3.010 -4.645 1.00 0.00 C ATOM 1479 C SER A 122 128.779 -3.036 -3.188 1.00 0.00 C ATOM 1480 O SER A 122 128.010 -3.313 -2.285 1.00 0.00 O ATOM 1481 CB SER A 122 128.014 -4.429 -5.137 1.00 0.00 C ATOM 1482 OG SER A 122 129.195 -5.210 -5.008 1.00 0.00 O ATOM 0 H SER A 122 130.182 -3.070 -5.643 1.00 0.00 H new ATOM 0 HA SER A 122 127.403 -2.380 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 122 127.204 -4.875 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.689 -4.409 -6.177 1.00 0.00 H new ATOM 0 HG SER A 122 129.020 -6.122 -5.321 1.00 0.00 H new ATOM 1488 N ARG A 123 130.040 -2.757 -2.944 1.00 0.00 N ATOM 1489 CA ARG A 123 130.554 -2.778 -1.541 1.00 0.00 C ATOM 1490 C ARG A 123 131.290 -1.473 -1.220 1.00 0.00 C ATOM 1491 O ARG A 123 131.962 -0.906 -2.061 1.00 0.00 O ATOM 1492 CB ARG A 123 131.516 -3.965 -1.490 1.00 0.00 C ATOM 1493 CG ARG A 123 131.976 -4.186 -0.048 1.00 0.00 C ATOM 1494 CD ARG A 123 132.609 -5.574 0.079 1.00 0.00 C ATOM 1495 NE ARG A 123 133.885 -5.502 -0.702 1.00 0.00 N ATOM 1496 CZ ARG A 123 134.607 -6.581 -0.933 1.00 0.00 C ATOM 1497 NH1 ARG A 123 134.351 -7.718 -0.329 1.00 0.00 N ATOM 1498 NH2 ARG A 123 135.598 -6.516 -1.779 1.00 0.00 N ATOM 0 H ARG A 123 130.731 -2.517 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 123 129.750 -2.872 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.025 -4.862 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.376 -3.778 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 123 132.696 -3.419 0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 123 131.129 -4.097 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 123 132.801 -5.824 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.948 -6.345 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 123 134.201 -4.602 -1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 123 133.579 -7.780 0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 123 134.924 -8.539 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 123 135.807 -5.637 -2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 123 136.164 -7.344 -1.966 1.00 0.00 H new ATOM 1512 N GLY A 124 131.168 -0.999 -0.005 1.00 0.00 N ATOM 1513 CA GLY A 124 131.858 0.267 0.384 1.00 0.00 C ATOM 1514 C GLY A 124 132.387 0.142 1.814 1.00 0.00 C ATOM 1515 O GLY A 124 132.307 -0.908 2.424 1.00 0.00 O ATOM 0 H GLY A 124 130.619 -1.436 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.680 0.471 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 124 131.167 1.107 0.313 1.00 0.00 H new ATOM 1519 N SER A 125 132.927 1.207 2.351 1.00 0.00 N ATOM 1520 CA SER A 125 133.467 1.160 3.742 1.00 0.00 C ATOM 1521 C SER A 125 132.746 2.184 4.623 1.00 0.00 C ATOM 1522 O SER A 125 132.397 3.261 4.178 1.00 0.00 O ATOM 1523 CB SER A 125 134.946 1.515 3.608 1.00 0.00 C ATOM 1524 OG SER A 125 135.067 2.814 3.041 1.00 0.00 O ATOM 0 H SER A 125 133.017 2.109 1.884 1.00 0.00 H new ATOM 0 HA SER A 125 133.325 0.184 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.429 1.485 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.452 0.782 2.979 1.00 0.00 H new ATOM 0 HG SER A 125 136.015 3.046 2.955 1.00 0.00 H new ATOM 1530 N LEU A 126 132.525 1.852 5.870 1.00 0.00 N ATOM 1531 CA LEU A 126 131.829 2.799 6.791 1.00 0.00 C ATOM 1532 C LEU A 126 132.857 3.677 7.510 1.00 0.00 C ATOM 1533 O LEU A 126 133.837 3.190 8.043 1.00 0.00 O ATOM 1534 CB LEU A 126 131.084 1.905 7.786 1.00 0.00 C ATOM 1535 CG LEU A 126 130.303 2.771 8.778 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.216 3.552 8.036 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.650 1.873 9.832 1.00 0.00 C ATOM 0 H LEU A 126 132.798 0.963 6.290 1.00 0.00 H new ATOM 0 HA LEU A 126 131.150 3.472 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.403 1.242 7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.792 1.272 8.321 1.00 0.00 H new ATOM 0 HG LEU A 126 130.985 3.470 9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.662 4.167 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.677 4.191 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.534 2.854 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 126 129.093 2.488 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.970 1.175 9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.421 1.316 10.364 1.00 0.00 H new ATOM 1549 N LEU A 127 132.641 4.968 7.521 1.00 0.00 N ATOM 1550 CA LEU A 127 133.607 5.890 8.196 1.00 0.00 C ATOM 1551 C LEU A 127 133.727 5.546 9.684 1.00 0.00 C ATOM 1552 O LEU A 127 134.816 5.423 10.213 1.00 0.00 O ATOM 1553 CB LEU A 127 133.017 7.291 8.017 1.00 0.00 C ATOM 1554 CG LEU A 127 134.148 8.315 7.919 1.00 0.00 C ATOM 1555 CD1 LEU A 127 134.607 8.429 6.464 1.00 0.00 C ATOM 1556 CD2 LEU A 127 133.647 9.676 8.403 1.00 0.00 C ATOM 0 H LEU A 127 131.837 5.425 7.091 1.00 0.00 H new ATOM 0 HA LEU A 127 134.608 5.812 7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.403 7.326 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.366 7.533 8.857 1.00 0.00 H new ATOM 0 HG LEU A 127 134.984 7.994 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 127 135.413 9.159 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.964 7.459 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 127 133.771 8.750 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.453 10.406 8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.811 9.998 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 127 133.319 9.595 9.439 1.00 0.00 H new ATOM 1568 N SER A 128 132.617 5.392 10.360 1.00 0.00 N ATOM 1569 CA SER A 128 132.661 5.057 11.816 1.00 0.00 C ATOM 1570 C SER A 128 132.264 3.583 12.035 1.00 0.00 C ATOM 1571 O SER A 128 131.166 3.196 11.691 1.00 0.00 O ATOM 1572 CB SER A 128 131.633 5.985 12.462 1.00 0.00 C ATOM 1573 OG SER A 128 131.608 5.753 13.864 1.00 0.00 O ATOM 0 H SER A 128 131.681 5.484 9.966 1.00 0.00 H new ATOM 0 HA SER A 128 133.657 5.186 12.241 1.00 0.00 H new ATOM 0 HB2 SER A 128 131.886 7.025 12.258 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.646 5.807 12.035 1.00 0.00 H new ATOM 0 HG SER A 128 131.365 6.581 14.328 1.00 0.00 H new ATOM 1579 N PRO A 129 133.163 2.798 12.598 1.00 0.00 N ATOM 1580 CA PRO A 129 132.855 1.365 12.840 1.00 0.00 C ATOM 1581 C PRO A 129 131.843 1.217 13.979 1.00 0.00 C ATOM 1582 O PRO A 129 132.079 1.653 15.091 1.00 0.00 O ATOM 1583 CB PRO A 129 134.204 0.763 13.227 1.00 0.00 C ATOM 1584 CG PRO A 129 134.998 1.907 13.764 1.00 0.00 C ATOM 1585 CD PRO A 129 134.518 3.147 13.056 1.00 0.00 C ATOM 0 HA PRO A 129 132.410 0.874 11.975 1.00 0.00 H new ATOM 0 HB2 PRO A 129 134.086 -0.021 13.975 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.696 0.311 12.366 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.860 2.000 14.841 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.063 1.752 13.591 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.503 4.007 13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 129 135.167 3.405 12.219 1.00 0.00 H new ATOM 1593 N ARG A 130 130.717 0.606 13.708 1.00 0.00 N ATOM 1594 CA ARG A 130 129.679 0.425 14.767 1.00 0.00 C ATOM 1595 C ARG A 130 129.167 -1.026 14.771 1.00 0.00 C ATOM 1596 O ARG A 130 129.364 -1.745 13.812 1.00 0.00 O ATOM 1597 CB ARG A 130 128.558 1.393 14.389 1.00 0.00 C ATOM 1598 CG ARG A 130 129.084 2.830 14.452 1.00 0.00 C ATOM 1599 CD ARG A 130 127.920 3.812 14.293 1.00 0.00 C ATOM 1600 NE ARG A 130 127.601 4.265 15.681 1.00 0.00 N ATOM 1601 CZ ARG A 130 128.421 5.048 16.355 1.00 0.00 C ATOM 1602 NH1 ARG A 130 129.516 5.527 15.810 1.00 0.00 N ATOM 1603 NH2 ARG A 130 128.139 5.354 17.592 1.00 0.00 N ATOM 0 H ARG A 130 130.472 0.223 12.795 1.00 0.00 H new ATOM 0 HA ARG A 130 130.068 0.623 15.766 1.00 0.00 H new ATOM 0 HB2 ARG A 130 128.194 1.171 13.386 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.714 1.273 15.068 1.00 0.00 H new ATOM 0 HG2 ARG A 130 129.590 3.001 15.402 1.00 0.00 H new ATOM 0 HG3 ARG A 130 129.820 2.993 13.665 1.00 0.00 H new ATOM 0 HD2 ARG A 130 128.198 4.653 13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 130 127.059 3.331 13.827 1.00 0.00 H new ATOM 0 HE ARG A 130 126.730 3.962 16.117 1.00 0.00 H new ATOM 0 HH11 ARG A 130 129.748 5.295 14.844 1.00 0.00 H new ATOM 0 HH12 ARG A 130 130.134 6.131 16.353 1.00 0.00 H new ATOM 0 HH21 ARG A 130 127.292 4.988 18.027 1.00 0.00 H new ATOM 0 HH22 ARG A 130 128.766 5.959 18.123 1.00 0.00 H new ATOM 1617 N PRO A 131 128.524 -1.417 15.853 1.00 0.00 N ATOM 1618 CA PRO A 131 127.992 -2.801 15.956 1.00 0.00 C ATOM 1619 C PRO A 131 126.799 -2.999 15.014 1.00 0.00 C ATOM 1620 O PRO A 131 126.073 -2.070 14.713 1.00 0.00 O ATOM 1621 CB PRO A 131 127.558 -2.916 17.415 1.00 0.00 C ATOM 1622 CG PRO A 131 127.297 -1.511 17.851 1.00 0.00 C ATOM 1623 CD PRO A 131 128.230 -0.630 17.064 1.00 0.00 C ATOM 0 HA PRO A 131 128.725 -3.557 15.673 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.665 -3.533 17.514 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.335 -3.380 18.023 1.00 0.00 H new ATOM 0 HG2 PRO A 131 126.258 -1.236 17.667 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.471 -1.400 18.921 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.765 0.324 16.817 1.00 0.00 H new ATOM 0 HD3 PRO A 131 129.137 -0.407 17.625 1.00 0.00 H new ATOM 1631 N VAL A 132 126.595 -4.206 14.547 1.00 0.00 N ATOM 1632 CA VAL A 132 125.450 -4.483 13.618 1.00 0.00 C ATOM 1633 C VAL A 132 124.123 -4.065 14.270 1.00 0.00 C ATOM 1634 O VAL A 132 123.216 -3.604 13.602 1.00 0.00 O ATOM 1635 CB VAL A 132 125.486 -6.004 13.377 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.272 -6.440 12.551 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.762 -6.374 12.614 1.00 0.00 C ATOM 0 H VAL A 132 127.173 -5.016 14.769 1.00 0.00 H new ATOM 0 HA VAL A 132 125.531 -3.925 12.685 1.00 0.00 H new ATOM 0 HB VAL A 132 125.467 -6.510 14.342 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.310 -7.517 12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.357 -6.186 13.087 1.00 0.00 H new ATOM 0 HG13 VAL A 132 124.283 -5.927 11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.785 -7.451 12.445 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.776 -5.855 11.655 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.634 -6.080 13.198 1.00 0.00 H new ATOM 1647 N SER A 133 124.003 -4.232 15.564 1.00 0.00 N ATOM 1648 CA SER A 133 122.730 -3.857 16.260 1.00 0.00 C ATOM 1649 C SER A 133 122.409 -2.373 16.043 1.00 0.00 C ATOM 1650 O SER A 133 121.268 -2.005 15.838 1.00 0.00 O ATOM 1651 CB SER A 133 122.983 -4.135 17.742 1.00 0.00 C ATOM 1652 OG SER A 133 121.797 -3.871 18.479 1.00 0.00 O ATOM 0 H SER A 133 124.731 -4.612 16.170 1.00 0.00 H new ATOM 0 HA SER A 133 121.880 -4.422 15.877 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.289 -5.172 17.882 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.798 -3.510 18.107 1.00 0.00 H new ATOM 0 HG SER A 133 121.956 -4.050 19.429 1.00 0.00 H new ATOM 1658 N TYR A 134 123.405 -1.524 16.081 1.00 0.00 N ATOM 1659 CA TYR A 134 123.155 -0.064 15.873 1.00 0.00 C ATOM 1660 C TYR A 134 122.612 0.168 14.459 1.00 0.00 C ATOM 1661 O TYR A 134 121.727 0.975 14.246 1.00 0.00 O ATOM 1662 CB TYR A 134 124.520 0.612 16.045 1.00 0.00 C ATOM 1663 CG TYR A 134 124.373 2.106 15.879 1.00 0.00 C ATOM 1664 CD1 TYR A 134 124.100 2.912 16.990 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.507 2.681 14.613 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.960 4.296 16.833 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.368 4.065 14.454 1.00 0.00 C ATOM 1668 CZ TYR A 134 124.095 4.873 15.564 1.00 0.00 C ATOM 1669 OH TYR A 134 123.958 6.237 15.408 1.00 0.00 O ATOM 0 H TYR A 134 124.379 -1.778 16.247 1.00 0.00 H new ATOM 0 HA TYR A 134 122.422 0.336 16.573 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.928 0.384 17.030 1.00 0.00 H new ATOM 0 HB3 TYR A 134 125.225 0.222 15.310 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.997 2.466 17.968 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.718 2.058 13.757 1.00 0.00 H new ATOM 0 HE1 TYR A 134 123.748 4.918 17.690 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.471 4.509 13.475 1.00 0.00 H new ATOM 0 HH TYR A 134 124.082 6.473 14.465 1.00 0.00 H new ATOM 1679 N LEU A 135 123.147 -0.537 13.497 1.00 0.00 N ATOM 1680 CA LEU A 135 122.683 -0.373 12.088 1.00 0.00 C ATOM 1681 C LEU A 135 121.608 -1.417 11.748 1.00 0.00 C ATOM 1682 O LEU A 135 121.313 -1.655 10.592 1.00 0.00 O ATOM 1683 CB LEU A 135 123.945 -0.602 11.249 1.00 0.00 C ATOM 1684 CG LEU A 135 123.713 -0.138 9.807 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.466 1.372 9.782 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.952 -0.460 8.967 1.00 0.00 C ATOM 0 H LEU A 135 123.890 -1.223 13.628 1.00 0.00 H new ATOM 0 HA LEU A 135 122.231 0.602 11.906 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.783 -0.057 11.684 1.00 0.00 H new ATOM 0 HB3 LEU A 135 124.211 -1.659 11.260 1.00 0.00 H new ATOM 0 HG LEU A 135 122.844 -0.653 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 135 123.302 1.697 8.755 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.587 1.607 10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 135 124.333 1.889 10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.791 -0.131 7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.817 0.057 9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 135 125.131 -1.535 8.980 1.00 0.00 H new ATOM 1698 N LYS A 136 121.022 -2.048 12.740 1.00 0.00 N ATOM 1699 CA LYS A 136 119.977 -3.077 12.454 1.00 0.00 C ATOM 1700 C LYS A 136 118.588 -2.437 12.392 1.00 0.00 C ATOM 1701 O LYS A 136 118.266 -1.549 13.159 1.00 0.00 O ATOM 1702 CB LYS A 136 120.062 -4.075 13.605 1.00 0.00 C ATOM 1703 CG LYS A 136 119.618 -5.448 13.101 1.00 0.00 C ATOM 1704 CD LYS A 136 119.696 -6.466 14.240 1.00 0.00 C ATOM 1705 CE LYS A 136 119.357 -7.858 13.700 1.00 0.00 C ATOM 1706 NZ LYS A 136 118.981 -8.656 14.900 1.00 0.00 N ATOM 0 H LYS A 136 121.222 -1.894 13.728 1.00 0.00 H new ATOM 0 HA LYS A 136 120.139 -3.559 11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 136 121.082 -4.125 13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.428 -3.753 14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.599 -5.393 12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.253 -5.765 12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.695 -6.466 14.675 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.002 -6.193 15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 136 118.538 -7.814 12.983 1.00 0.00 H new ATOM 0 HE3 LYS A 136 120.209 -8.299 13.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 118.735 -9.624 14.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 119.783 -8.686 15.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 118.163 -8.216 15.367 1.00 0.00 H new ATOM 1720 N GLY A 137 117.768 -2.887 11.477 1.00 0.00 N ATOM 1721 CA GLY A 137 116.394 -2.317 11.343 1.00 0.00 C ATOM 1722 C GLY A 137 116.419 -1.101 10.410 1.00 0.00 C ATOM 1723 O GLY A 137 115.526 -0.275 10.441 1.00 0.00 O ATOM 0 H GLY A 137 117.993 -3.629 10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.714 -3.073 10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.015 -2.026 12.323 1.00 0.00 H new ATOM 1727 N SER A 138 117.429 -0.984 9.581 1.00 0.00 N ATOM 1728 CA SER A 138 117.506 0.179 8.647 1.00 0.00 C ATOM 1729 C SER A 138 117.514 -0.291 7.185 1.00 0.00 C ATOM 1730 O SER A 138 117.841 0.467 6.292 1.00 0.00 O ATOM 1731 CB SER A 138 118.820 0.876 8.990 1.00 0.00 C ATOM 1732 OG SER A 138 119.852 -0.094 9.101 1.00 0.00 O ATOM 0 H SER A 138 118.203 -1.645 9.512 1.00 0.00 H new ATOM 0 HA SER A 138 116.647 0.841 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.071 1.604 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 138 118.720 1.426 9.926 1.00 0.00 H new ATOM 0 HG SER A 138 119.930 -0.384 10.034 1.00 0.00 H new ATOM 1738 N SER A 139 117.154 -1.530 6.929 1.00 0.00 N ATOM 1739 CA SER A 139 117.143 -2.034 5.517 1.00 0.00 C ATOM 1740 C SER A 139 116.204 -1.179 4.662 1.00 0.00 C ATOM 1741 O SER A 139 115.180 -0.713 5.128 1.00 0.00 O ATOM 1742 CB SER A 139 116.618 -3.467 5.602 1.00 0.00 C ATOM 1743 OG SER A 139 117.475 -4.233 6.434 1.00 0.00 O ATOM 0 H SER A 139 116.869 -2.210 7.634 1.00 0.00 H new ATOM 0 HA SER A 139 118.132 -1.989 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.604 -3.472 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.569 -3.908 4.606 1.00 0.00 H new ATOM 0 HG SER A 139 117.591 -5.127 6.050 1.00 0.00 H new ATOM 1749 N GLY A 140 116.550 -0.966 3.419 1.00 0.00 N ATOM 1750 CA GLY A 140 115.686 -0.138 2.530 1.00 0.00 C ATOM 1751 C GLY A 140 116.175 1.317 2.529 1.00 0.00 C ATOM 1752 O GLY A 140 115.824 2.090 1.658 1.00 0.00 O ATOM 0 H GLY A 140 117.396 -1.331 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.705 -0.537 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.652 -0.182 2.871 1.00 0.00 H new ATOM 1756 N GLY A 141 116.988 1.698 3.493 1.00 0.00 N ATOM 1757 CA GLY A 141 117.500 3.105 3.538 1.00 0.00 C ATOM 1758 C GLY A 141 118.256 3.410 2.232 1.00 0.00 C ATOM 1759 O GLY A 141 119.310 2.850 1.998 1.00 0.00 O ATOM 0 H GLY A 141 117.316 1.095 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.672 3.802 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.161 3.237 4.394 1.00 0.00 H new ATOM 1763 N PRO A 142 117.699 4.273 1.407 1.00 0.00 N ATOM 1764 CA PRO A 142 118.358 4.605 0.119 1.00 0.00 C ATOM 1765 C PRO A 142 119.588 5.486 0.341 1.00 0.00 C ATOM 1766 O PRO A 142 119.576 6.399 1.146 1.00 0.00 O ATOM 1767 CB PRO A 142 117.286 5.372 -0.650 1.00 0.00 C ATOM 1768 CG PRO A 142 116.395 5.950 0.402 1.00 0.00 C ATOM 1769 CD PRO A 142 116.435 5.012 1.578 1.00 0.00 C ATOM 0 HA PRO A 142 118.712 3.719 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.727 6.155 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.732 4.713 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.735 6.945 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.377 6.057 0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.416 5.556 2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.577 4.339 1.580 1.00 0.00 H new ATOM 1777 N LEU A 143 120.644 5.227 -0.387 1.00 0.00 N ATOM 1778 CA LEU A 143 121.877 6.052 -0.254 1.00 0.00 C ATOM 1779 C LEU A 143 121.837 7.172 -1.294 1.00 0.00 C ATOM 1780 O LEU A 143 121.697 6.917 -2.476 1.00 0.00 O ATOM 1781 CB LEU A 143 123.036 5.096 -0.537 1.00 0.00 C ATOM 1782 CG LEU A 143 123.388 4.320 0.734 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.538 3.051 0.814 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.870 3.940 0.704 1.00 0.00 C ATOM 0 H LEU A 143 120.703 4.474 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 143 121.976 6.512 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.763 4.404 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 143 123.904 5.655 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 143 123.188 4.944 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.791 2.500 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.482 3.321 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.734 2.426 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 143 125.122 3.387 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.068 3.318 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.476 4.844 0.650 1.00 0.00 H new ATOM 1796 N LEU A 144 121.939 8.405 -0.866 1.00 0.00 N ATOM 1797 CA LEU A 144 121.886 9.538 -1.838 1.00 0.00 C ATOM 1798 C LEU A 144 123.187 10.341 -1.822 1.00 0.00 C ATOM 1799 O LEU A 144 123.641 10.794 -0.789 1.00 0.00 O ATOM 1800 CB LEU A 144 120.718 10.407 -1.371 1.00 0.00 C ATOM 1801 CG LEU A 144 119.433 9.950 -2.063 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.791 8.818 -1.258 1.00 0.00 C ATOM 1803 CD2 LEU A 144 118.457 11.127 -2.153 1.00 0.00 C ATOM 0 H LEU A 144 122.056 8.675 0.111 1.00 0.00 H new ATOM 0 HA LEU A 144 121.756 9.184 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.607 10.334 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 144 120.915 11.454 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 144 119.669 9.593 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 144 117.875 8.494 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.484 7.980 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.555 9.173 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.541 10.803 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.223 11.483 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 144 118.912 11.934 -2.727 1.00 0.00 H new ATOM 1815 N CYS A 145 123.778 10.531 -2.975 1.00 0.00 N ATOM 1816 CA CYS A 145 125.044 11.321 -3.058 1.00 0.00 C ATOM 1817 C CYS A 145 124.755 12.789 -2.695 1.00 0.00 C ATOM 1818 O CYS A 145 123.609 13.194 -2.683 1.00 0.00 O ATOM 1819 CB CYS A 145 125.515 11.183 -4.517 1.00 0.00 C ATOM 1820 SG CYS A 145 124.262 11.836 -5.656 1.00 0.00 S ATOM 0 H CYS A 145 123.436 10.171 -3.866 1.00 0.00 H new ATOM 0 HA CYS A 145 125.810 10.968 -2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 145 126.454 11.719 -4.654 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.710 10.135 -4.744 1.00 0.00 H new ATOM 0 HG CYS A 145 123.078 11.641 -5.157 1.00 0.00 H new ATOM 1825 N PRO A 146 125.790 13.546 -2.403 1.00 0.00 N ATOM 1826 CA PRO A 146 125.591 14.974 -2.035 1.00 0.00 C ATOM 1827 C PRO A 146 124.992 15.764 -3.206 1.00 0.00 C ATOM 1828 O PRO A 146 124.417 16.820 -3.014 1.00 0.00 O ATOM 1829 CB PRO A 146 127.000 15.456 -1.688 1.00 0.00 C ATOM 1830 CG PRO A 146 127.906 14.519 -2.413 1.00 0.00 C ATOM 1831 CD PRO A 146 127.217 13.182 -2.392 1.00 0.00 C ATOM 0 HA PRO A 146 124.891 15.110 -1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.157 16.486 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.176 15.426 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 146 128.077 14.854 -3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.881 14.464 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.486 12.576 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.480 12.606 -1.505 1.00 0.00 H new ATOM 1839 N SER A 147 125.107 15.260 -4.412 1.00 0.00 N ATOM 1840 CA SER A 147 124.526 15.983 -5.585 1.00 0.00 C ATOM 1841 C SER A 147 122.995 15.928 -5.530 1.00 0.00 C ATOM 1842 O SER A 147 122.318 16.803 -6.035 1.00 0.00 O ATOM 1843 CB SER A 147 125.049 15.248 -6.820 1.00 0.00 C ATOM 1844 OG SER A 147 126.376 15.677 -7.094 1.00 0.00 O ATOM 0 H SER A 147 125.577 14.382 -4.633 1.00 0.00 H new ATOM 0 HA SER A 147 124.808 17.036 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 147 125.030 14.171 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 147 124.405 15.448 -7.677 1.00 0.00 H new ATOM 0 HG SER A 147 126.854 14.972 -7.578 1.00 0.00 H new ATOM 1850 N GLY A 148 122.446 14.907 -4.914 1.00 0.00 N ATOM 1851 CA GLY A 148 120.959 14.796 -4.817 1.00 0.00 C ATOM 1852 C GLY A 148 120.476 13.486 -5.454 1.00 0.00 C ATOM 1853 O GLY A 148 119.394 13.014 -5.160 1.00 0.00 O ATOM 0 H GLY A 148 122.966 14.147 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.653 14.834 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.492 15.644 -5.317 1.00 0.00 H new ATOM 1857 N HIS A 149 121.261 12.898 -6.325 1.00 0.00 N ATOM 1858 CA HIS A 149 120.836 11.621 -6.980 1.00 0.00 C ATOM 1859 C HIS A 149 121.018 10.436 -6.023 1.00 0.00 C ATOM 1860 O HIS A 149 121.720 10.528 -5.034 1.00 0.00 O ATOM 1861 CB HIS A 149 121.748 11.474 -8.198 1.00 0.00 C ATOM 1862 CG HIS A 149 121.389 12.515 -9.224 1.00 0.00 C ATOM 1863 ND1 HIS A 149 120.574 12.232 -10.309 1.00 0.00 N ATOM 1864 CD2 HIS A 149 121.725 13.841 -9.343 1.00 0.00 C ATOM 1865 CE1 HIS A 149 120.448 13.363 -11.026 1.00 0.00 C ATOM 1866 NE2 HIS A 149 121.130 14.374 -10.481 1.00 0.00 N ATOM 0 H HIS A 149 122.176 13.247 -6.610 1.00 0.00 H new ATOM 0 HA HIS A 149 119.782 11.637 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.791 11.586 -7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.644 10.477 -8.625 1.00 0.00 H new ATOM 0 HD2 HIS A 149 122.356 14.387 -8.657 1.00 0.00 H new ATOM 0 HE1 HIS A 149 119.866 13.444 -11.932 1.00 0.00 H new ATOM 0 HE2 HIS A 149 121.199 15.331 -10.826 1.00 0.00 H new ATOM 1874 N ALA A 150 120.384 9.328 -6.315 1.00 0.00 N ATOM 1875 CA ALA A 150 120.506 8.128 -5.430 1.00 0.00 C ATOM 1876 C ALA A 150 121.415 7.078 -6.078 1.00 0.00 C ATOM 1877 O ALA A 150 121.428 6.917 -7.284 1.00 0.00 O ATOM 1878 CB ALA A 150 119.081 7.592 -5.294 1.00 0.00 C ATOM 0 H ALA A 150 119.785 9.202 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 150 120.946 8.372 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 150 119.084 6.708 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 150 118.445 8.357 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.696 7.328 -6.279 1.00 0.00 H new ATOM 1884 N VAL A 151 122.176 6.365 -5.282 1.00 0.00 N ATOM 1885 CA VAL A 151 123.089 5.325 -5.846 1.00 0.00 C ATOM 1886 C VAL A 151 122.491 3.921 -5.671 1.00 0.00 C ATOM 1887 O VAL A 151 122.750 3.032 -6.461 1.00 0.00 O ATOM 1888 CB VAL A 151 124.404 5.471 -5.064 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.181 5.184 -3.575 1.00 0.00 C ATOM 1890 CG2 VAL A 151 125.435 4.485 -5.618 1.00 0.00 C ATOM 0 H VAL A 151 122.203 6.460 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 151 123.244 5.457 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 151 124.765 6.493 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.124 5.292 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 151 123.452 5.888 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.809 4.167 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 151 126.369 4.586 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 151 125.059 3.467 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 151 125.612 4.698 -6.672 1.00 0.00 H new ATOM 1900 N GLY A 152 121.696 3.714 -4.646 1.00 0.00 N ATOM 1901 CA GLY A 152 121.089 2.363 -4.433 1.00 0.00 C ATOM 1902 C GLY A 152 120.429 2.293 -3.052 1.00 0.00 C ATOM 1903 O GLY A 152 120.138 3.303 -2.443 1.00 0.00 O ATOM 0 H GLY A 152 121.444 4.418 -3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.350 2.162 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 152 121.857 1.594 -4.517 1.00 0.00 H new ATOM 1907 N ILE A 153 120.184 1.101 -2.562 1.00 0.00 N ATOM 1908 CA ILE A 153 119.536 0.949 -1.222 1.00 0.00 C ATOM 1909 C ILE A 153 120.351 -0.012 -0.343 1.00 0.00 C ATOM 1910 O ILE A 153 121.079 -0.854 -0.834 1.00 0.00 O ATOM 1911 CB ILE A 153 118.147 0.366 -1.520 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.336 1.367 -2.347 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.403 0.089 -0.209 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.220 0.631 -3.089 1.00 0.00 C ATOM 0 H ILE A 153 120.406 0.225 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 153 119.474 1.893 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 153 118.268 -0.564 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 153 116.912 2.132 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 153 117.985 1.877 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.419 -0.324 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 153 117.971 -0.625 0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.289 1.019 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.643 1.344 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.655 -0.118 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.565 0.141 -2.368 1.00 0.00 H new ATOM 1926 N PHE A 154 120.223 0.113 0.955 1.00 0.00 N ATOM 1927 CA PHE A 154 120.976 -0.785 1.887 1.00 0.00 C ATOM 1928 C PHE A 154 120.472 -2.226 1.751 1.00 0.00 C ATOM 1929 O PHE A 154 119.287 -2.463 1.614 1.00 0.00 O ATOM 1930 CB PHE A 154 120.678 -0.243 3.289 1.00 0.00 C ATOM 1931 CG PHE A 154 121.680 -0.792 4.281 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.053 -0.674 4.034 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.231 -1.415 5.452 1.00 0.00 C ATOM 1934 CE1 PHE A 154 123.977 -1.179 4.956 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.156 -1.919 6.374 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.528 -1.801 6.127 1.00 0.00 C ATOM 0 H PHE A 154 119.626 0.802 1.412 1.00 0.00 H new ATOM 0 HA PHE A 154 122.045 -0.799 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 154 120.720 0.846 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.668 -0.522 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.399 -0.193 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.172 -1.507 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.036 -1.089 4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 154 121.810 -2.400 7.277 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.241 -2.190 6.840 1.00 0.00 H new ATOM 1946 N ARG A 155 121.365 -3.186 1.782 1.00 0.00 N ATOM 1947 CA ARG A 155 120.937 -4.613 1.648 1.00 0.00 C ATOM 1948 C ARG A 155 121.394 -5.435 2.860 1.00 0.00 C ATOM 1949 O ARG A 155 120.584 -5.901 3.642 1.00 0.00 O ATOM 1950 CB ARG A 155 121.618 -5.111 0.372 1.00 0.00 C ATOM 1951 CG ARG A 155 121.187 -6.551 0.090 1.00 0.00 C ATOM 1952 CD ARG A 155 121.870 -7.049 -1.187 1.00 0.00 C ATOM 1953 NE ARG A 155 123.315 -7.204 -0.826 1.00 0.00 N ATOM 1954 CZ ARG A 155 124.226 -7.454 -1.745 1.00 0.00 C ATOM 1955 NH1 ARG A 155 123.947 -7.382 -3.025 1.00 0.00 N ATOM 1956 NH2 ARG A 155 125.434 -7.778 -1.373 1.00 0.00 N ATOM 0 H ARG A 155 122.369 -3.043 1.894 1.00 0.00 H new ATOM 0 HA ARG A 155 119.852 -4.711 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.352 -4.470 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.701 -5.060 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.452 -7.192 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.104 -6.602 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 155 121.443 -7.996 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 155 121.742 -6.339 -2.004 1.00 0.00 H new ATOM 0 HE ARG A 155 123.600 -7.114 0.149 1.00 0.00 H new ATOM 0 HH11 ARG A 155 123.007 -7.128 -3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 155 124.670 -7.580 -3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 155 125.664 -7.835 -0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 155 126.148 -7.974 -2.074 1.00 0.00 H new ATOM 1970 N ALA A 156 122.681 -5.626 3.014 1.00 0.00 N ATOM 1971 CA ALA A 156 123.188 -6.432 4.166 1.00 0.00 C ATOM 1972 C ALA A 156 124.384 -5.742 4.827 1.00 0.00 C ATOM 1973 O ALA A 156 125.145 -5.045 4.182 1.00 0.00 O ATOM 1974 CB ALA A 156 123.617 -7.768 3.553 1.00 0.00 C ATOM 0 H ALA A 156 123.401 -5.259 2.392 1.00 0.00 H new ATOM 0 HA ALA A 156 122.431 -6.555 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.003 -8.420 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 156 122.759 -8.242 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.395 -7.594 2.810 1.00 0.00 H new ATOM 1980 N ALA A 157 124.558 -5.949 6.107 1.00 0.00 N ATOM 1981 CA ALA A 157 125.711 -5.328 6.824 1.00 0.00 C ATOM 1982 C ALA A 157 126.875 -6.321 6.865 1.00 0.00 C ATOM 1983 O ALA A 157 126.670 -7.514 6.834 1.00 0.00 O ATOM 1984 CB ALA A 157 125.196 -5.042 8.235 1.00 0.00 C ATOM 0 H ALA A 157 123.948 -6.524 6.688 1.00 0.00 H new ATOM 0 HA ALA A 157 126.071 -4.421 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.989 -4.583 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.345 -4.363 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.887 -5.975 8.706 1.00 0.00 H new ATOM 1990 N VAL A 158 128.092 -5.836 6.916 1.00 0.00 N ATOM 1991 CA VAL A 158 129.268 -6.763 6.941 1.00 0.00 C ATOM 1992 C VAL A 158 130.088 -6.552 8.217 1.00 0.00 C ATOM 1993 O VAL A 158 130.599 -5.477 8.463 1.00 0.00 O ATOM 1994 CB VAL A 158 130.098 -6.387 5.710 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.303 -7.324 5.597 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.243 -6.517 4.446 1.00 0.00 C ATOM 0 H VAL A 158 128.322 -4.843 6.941 1.00 0.00 H new ATOM 0 HA VAL A 158 128.963 -7.809 6.928 1.00 0.00 H new ATOM 0 HB VAL A 158 130.440 -5.357 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.892 -7.055 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.920 -7.233 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.956 -8.353 5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 158 129.839 -6.248 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 158 128.896 -7.546 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.384 -5.850 4.518 1.00 0.00 H new ATOM 2006 N CYS A 159 130.225 -7.576 9.022 1.00 0.00 N ATOM 2007 CA CYS A 159 131.022 -7.446 10.279 1.00 0.00 C ATOM 2008 C CYS A 159 131.828 -8.725 10.536 1.00 0.00 C ATOM 2009 O CYS A 159 131.493 -9.787 10.045 1.00 0.00 O ATOM 2010 CB CYS A 159 129.989 -7.208 11.390 1.00 0.00 C ATOM 2011 SG CYS A 159 128.834 -8.603 11.493 1.00 0.00 S ATOM 0 H CYS A 159 129.818 -8.498 8.862 1.00 0.00 H new ATOM 0 HA CYS A 159 131.745 -6.632 10.226 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.497 -7.078 12.345 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.440 -6.287 11.193 1.00 0.00 H new ATOM 0 HG CYS A 159 129.328 -9.624 10.857 1.00 0.00 H new ATOM 2017 N THR A 160 132.883 -8.631 11.306 1.00 0.00 N ATOM 2018 CA THR A 160 133.709 -9.839 11.606 1.00 0.00 C ATOM 2019 C THR A 160 133.254 -10.469 12.924 1.00 0.00 C ATOM 2020 O THR A 160 133.072 -11.669 13.021 1.00 0.00 O ATOM 2021 CB THR A 160 135.143 -9.320 11.726 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.161 -8.173 12.564 1.00 0.00 O ATOM 2023 CG2 THR A 160 135.673 -8.951 10.339 1.00 0.00 C ATOM 0 H THR A 160 133.208 -7.767 11.741 1.00 0.00 H new ATOM 0 HA THR A 160 133.618 -10.606 10.836 1.00 0.00 H new ATOM 0 HB THR A 160 135.775 -10.096 12.158 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.079 -7.840 12.643 1.00 0.00 H new ATOM 0 HG21 THR A 160 136.695 -8.581 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.660 -9.832 9.698 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.043 -8.176 9.903 1.00 0.00 H new ATOM 2031 N ARG A 161 133.062 -9.662 13.935 1.00 0.00 N ATOM 2032 CA ARG A 161 132.610 -10.193 15.255 1.00 0.00 C ATOM 2033 C ARG A 161 131.415 -9.376 15.754 1.00 0.00 C ATOM 2034 O ARG A 161 131.271 -9.124 16.935 1.00 0.00 O ATOM 2035 CB ARG A 161 133.809 -10.018 16.191 1.00 0.00 C ATOM 2036 CG ARG A 161 135.006 -10.811 15.654 1.00 0.00 C ATOM 2037 CD ARG A 161 134.740 -12.312 15.801 1.00 0.00 C ATOM 2038 NE ARG A 161 134.684 -12.551 17.277 1.00 0.00 N ATOM 2039 CZ ARG A 161 135.777 -12.785 17.975 1.00 0.00 C ATOM 2040 NH1 ARG A 161 136.971 -12.623 17.454 1.00 0.00 N ATOM 2041 NH2 ARG A 161 135.670 -13.184 19.213 1.00 0.00 N ATOM 0 H ARG A 161 133.200 -8.652 13.902 1.00 0.00 H new ATOM 0 HA ARG A 161 132.293 -11.234 15.200 1.00 0.00 H new ATOM 0 HB2 ARG A 161 134.067 -8.962 16.273 1.00 0.00 H new ATOM 0 HB3 ARG A 161 133.553 -10.362 17.193 1.00 0.00 H new ATOM 0 HG2 ARG A 161 135.178 -10.563 14.606 1.00 0.00 H new ATOM 0 HG3 ARG A 161 135.910 -10.537 16.199 1.00 0.00 H new ATOM 0 HD2 ARG A 161 133.805 -12.596 15.319 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.530 -12.901 15.335 1.00 0.00 H new ATOM 0 HE ARG A 161 133.782 -12.532 17.752 1.00 0.00 H new ATOM 0 HH11 ARG A 161 137.068 -12.309 16.488 1.00 0.00 H new ATOM 0 HH12 ARG A 161 137.802 -12.811 18.015 1.00 0.00 H new ATOM 0 HH21 ARG A 161 134.748 -13.311 19.630 1.00 0.00 H new ATOM 0 HH22 ARG A 161 136.509 -13.368 19.764 1.00 0.00 H new ATOM 2055 N GLY A 162 130.565 -8.953 14.853 1.00 0.00 N ATOM 2056 CA GLY A 162 129.379 -8.138 15.253 1.00 0.00 C ATOM 2057 C GLY A 162 129.638 -6.650 14.966 1.00 0.00 C ATOM 2058 O GLY A 162 128.736 -5.837 15.045 1.00 0.00 O ATOM 0 H GLY A 162 130.642 -9.138 13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.497 -8.473 14.707 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.171 -8.281 16.313 1.00 0.00 H new ATOM 2062 N VAL A 163 130.856 -6.285 14.633 1.00 0.00 N ATOM 2063 CA VAL A 163 131.160 -4.852 14.339 1.00 0.00 C ATOM 2064 C VAL A 163 131.108 -4.619 12.826 1.00 0.00 C ATOM 2065 O VAL A 163 131.798 -5.274 12.067 1.00 0.00 O ATOM 2066 CB VAL A 163 132.578 -4.622 14.874 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.989 -3.168 14.634 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.614 -4.916 16.376 1.00 0.00 C ATOM 0 H VAL A 163 131.650 -6.920 14.553 1.00 0.00 H new ATOM 0 HA VAL A 163 130.445 -4.169 14.798 1.00 0.00 H new ATOM 0 HB VAL A 163 133.269 -5.286 14.355 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.997 -3.007 15.015 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.967 -2.955 13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.296 -2.504 15.150 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.623 -4.752 16.755 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.920 -4.253 16.893 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.325 -5.952 16.551 1.00 0.00 H new ATOM 2078 N ALA A 164 130.291 -3.697 12.384 1.00 0.00 N ATOM 2079 CA ALA A 164 130.182 -3.428 10.920 1.00 0.00 C ATOM 2080 C ALA A 164 131.225 -2.399 10.478 1.00 0.00 C ATOM 2081 O ALA A 164 131.211 -1.260 10.907 1.00 0.00 O ATOM 2082 CB ALA A 164 128.770 -2.874 10.725 1.00 0.00 C ATOM 0 H ALA A 164 129.694 -3.119 12.975 1.00 0.00 H new ATOM 0 HA ALA A 164 130.359 -4.325 10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.610 -2.650 9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.040 -3.614 11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.652 -1.963 11.312 1.00 0.00 H new ATOM 2088 N LYS A 165 132.123 -2.796 9.614 1.00 0.00 N ATOM 2089 CA LYS A 165 133.171 -1.855 9.120 1.00 0.00 C ATOM 2090 C LYS A 165 132.900 -1.505 7.655 1.00 0.00 C ATOM 2091 O LYS A 165 133.222 -0.426 7.194 1.00 0.00 O ATOM 2092 CB LYS A 165 134.488 -2.619 9.256 1.00 0.00 C ATOM 2093 CG LYS A 165 134.754 -2.922 10.732 1.00 0.00 C ATOM 2094 CD LYS A 165 136.072 -3.686 10.868 1.00 0.00 C ATOM 2095 CE LYS A 165 136.336 -3.989 12.345 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.233 -2.893 12.806 1.00 0.00 N ATOM 0 H LYS A 165 132.175 -3.738 9.227 1.00 0.00 H new ATOM 0 HA LYS A 165 133.189 -0.919 9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.443 -3.547 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.306 -2.030 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.799 -1.994 11.302 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.936 -3.511 11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.027 -4.614 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.891 -3.097 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 165 135.408 -4.007 12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 165 136.807 -4.964 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.460 -3.030 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 138.111 -2.905 12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 136.755 -1.978 12.681 1.00 0.00 H new ATOM 2110 N ALA A 166 132.304 -2.413 6.925 1.00 0.00 N ATOM 2111 CA ALA A 166 131.996 -2.151 5.488 1.00 0.00 C ATOM 2112 C ALA A 166 130.508 -2.406 5.226 1.00 0.00 C ATOM 2113 O ALA A 166 129.857 -3.126 5.959 1.00 0.00 O ATOM 2114 CB ALA A 166 132.865 -3.141 4.706 1.00 0.00 C ATOM 0 H ALA A 166 132.016 -3.330 7.266 1.00 0.00 H new ATOM 0 HA ALA A 166 132.202 -1.121 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.694 -3.010 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.916 -2.959 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.604 -4.160 4.993 1.00 0.00 H new ATOM 2120 N VAL A 167 129.966 -1.814 4.191 1.00 0.00 N ATOM 2121 CA VAL A 167 128.517 -2.015 3.884 1.00 0.00 C ATOM 2122 C VAL A 167 128.325 -2.413 2.417 1.00 0.00 C ATOM 2123 O VAL A 167 129.016 -1.932 1.538 1.00 0.00 O ATOM 2124 CB VAL A 167 127.852 -0.663 4.168 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.004 -0.325 5.654 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.506 0.440 3.315 1.00 0.00 C ATOM 0 H VAL A 167 130.464 -1.201 3.546 1.00 0.00 H new ATOM 0 HA VAL A 167 128.083 -2.815 4.484 1.00 0.00 H new ATOM 0 HB VAL A 167 126.794 -0.724 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.532 0.636 5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.526 -1.099 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.063 -0.271 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.025 1.396 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.567 0.506 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.389 0.200 2.258 1.00 0.00 H new ATOM 2136 N ASP A 168 127.389 -3.288 2.153 1.00 0.00 N ATOM 2137 CA ASP A 168 127.136 -3.727 0.749 1.00 0.00 C ATOM 2138 C ASP A 168 125.722 -3.334 0.313 1.00 0.00 C ATOM 2139 O ASP A 168 124.759 -3.557 1.024 1.00 0.00 O ATOM 2140 CB ASP A 168 127.282 -5.249 0.777 1.00 0.00 C ATOM 2141 CG ASP A 168 128.748 -5.626 0.554 1.00 0.00 C ATOM 2142 OD1 ASP A 168 129.285 -5.250 -0.475 1.00 0.00 O ATOM 2143 OD2 ASP A 168 129.307 -6.285 1.413 1.00 0.00 O ATOM 0 H ASP A 168 126.786 -3.719 2.854 1.00 0.00 H new ATOM 0 HA ASP A 168 127.825 -3.262 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 168 126.936 -5.640 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.658 -5.699 0.005 1.00 0.00 H new ATOM 2148 N PHE A 169 125.594 -2.751 -0.852 1.00 0.00 N ATOM 2149 CA PHE A 169 124.246 -2.339 -1.349 1.00 0.00 C ATOM 2150 C PHE A 169 124.137 -2.599 -2.856 1.00 0.00 C ATOM 2151 O PHE A 169 125.134 -2.721 -3.544 1.00 0.00 O ATOM 2152 CB PHE A 169 124.139 -0.840 -1.042 1.00 0.00 C ATOM 2153 CG PHE A 169 125.268 -0.086 -1.711 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.103 0.417 -3.007 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.477 0.111 -1.032 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.147 1.117 -3.624 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.521 0.810 -1.650 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.356 1.313 -2.946 1.00 0.00 C ATOM 0 H PHE A 169 126.368 -2.542 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 169 123.442 -2.901 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.180 -0.458 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.173 -0.679 0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.171 0.265 -3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.604 -0.276 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.019 1.506 -4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.454 0.961 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.161 1.852 -3.423 1.00 0.00 H new ATOM 2168 N VAL A 170 122.936 -2.687 -3.370 1.00 0.00 N ATOM 2169 CA VAL A 170 122.760 -2.945 -4.832 1.00 0.00 C ATOM 2170 C VAL A 170 122.621 -1.615 -5.601 1.00 0.00 C ATOM 2171 O VAL A 170 122.016 -0.685 -5.105 1.00 0.00 O ATOM 2172 CB VAL A 170 121.486 -3.797 -4.941 1.00 0.00 C ATOM 2173 CG1 VAL A 170 120.256 -2.998 -4.492 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.295 -4.241 -6.394 1.00 0.00 C ATOM 0 H VAL A 170 122.070 -2.591 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 170 123.617 -3.458 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 170 121.594 -4.667 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 170 119.366 -3.621 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.383 -2.687 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 170 120.144 -2.117 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.392 -4.846 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 170 121.202 -3.363 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 170 122.155 -4.831 -6.710 1.00 0.00 H new ATOM 2184 N PRO A 171 123.187 -1.558 -6.790 1.00 0.00 N ATOM 2185 CA PRO A 171 123.106 -0.316 -7.599 1.00 0.00 C ATOM 2186 C PRO A 171 121.725 -0.187 -8.250 1.00 0.00 C ATOM 2187 O PRO A 171 120.986 -1.147 -8.354 1.00 0.00 O ATOM 2188 CB PRO A 171 124.182 -0.505 -8.661 1.00 0.00 C ATOM 2189 CG PRO A 171 124.352 -1.987 -8.795 1.00 0.00 C ATOM 2190 CD PRO A 171 123.945 -2.613 -7.485 1.00 0.00 C ATOM 0 HA PRO A 171 123.251 0.586 -7.005 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.882 -0.057 -9.608 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.116 -0.028 -8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.738 -2.371 -9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.387 -2.234 -9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.334 -3.502 -7.643 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.815 -2.923 -6.906 1.00 0.00 H new ATOM 2198 N VAL A 172 121.380 0.996 -8.692 1.00 0.00 N ATOM 2199 CA VAL A 172 120.051 1.200 -9.347 1.00 0.00 C ATOM 2200 C VAL A 172 120.030 0.503 -10.711 1.00 0.00 C ATOM 2201 O VAL A 172 119.003 0.028 -11.159 1.00 0.00 O ATOM 2202 CB VAL A 172 119.908 2.719 -9.511 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.573 3.045 -10.188 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.952 3.388 -8.135 1.00 0.00 C ATOM 0 H VAL A 172 121.962 1.831 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 172 119.232 0.783 -8.761 1.00 0.00 H new ATOM 0 HB VAL A 172 120.727 3.090 -10.127 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.477 4.125 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.538 2.572 -11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.753 2.670 -9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.850 4.467 -8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 172 119.134 3.011 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.903 3.163 -7.651 1.00 0.00 H new ATOM 2214 N GLU A 173 121.157 0.445 -11.375 1.00 0.00 N ATOM 2215 CA GLU A 173 121.213 -0.214 -12.718 1.00 0.00 C ATOM 2216 C GLU A 173 120.798 -1.682 -12.608 1.00 0.00 C ATOM 2217 O GLU A 173 120.100 -2.201 -13.459 1.00 0.00 O ATOM 2218 CB GLU A 173 122.673 -0.113 -13.159 1.00 0.00 C ATOM 2219 CG GLU A 173 122.818 -0.652 -14.584 1.00 0.00 C ATOM 2220 CD GLU A 173 124.280 -0.556 -15.042 1.00 0.00 C ATOM 2221 OE1 GLU A 173 124.620 -1.228 -16.001 1.00 0.00 O ATOM 2222 OE2 GLU A 173 125.032 0.191 -14.434 1.00 0.00 O ATOM 0 H GLU A 173 122.044 0.826 -11.045 1.00 0.00 H new ATOM 0 HA GLU A 173 120.537 0.260 -13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 173 123.005 0.924 -13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.309 -0.680 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 173 122.484 -1.689 -14.624 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.179 -0.085 -15.262 1.00 0.00 H new ATOM 2229 N SER A 174 121.221 -2.351 -11.565 1.00 0.00 N ATOM 2230 CA SER A 174 120.850 -3.788 -11.397 1.00 0.00 C ATOM 2231 C SER A 174 119.332 -3.922 -11.260 1.00 0.00 C ATOM 2232 O SER A 174 118.727 -4.828 -11.800 1.00 0.00 O ATOM 2233 CB SER A 174 121.547 -4.241 -10.114 1.00 0.00 C ATOM 2234 OG SER A 174 121.241 -5.608 -9.872 1.00 0.00 O ATOM 0 H SER A 174 121.806 -1.965 -10.824 1.00 0.00 H new ATOM 0 HA SER A 174 121.151 -4.393 -12.252 1.00 0.00 H new ATOM 0 HB2 SER A 174 122.625 -4.108 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 174 121.221 -3.629 -9.273 1.00 0.00 H new ATOM 0 HG SER A 174 120.774 -5.692 -9.014 1.00 0.00 H new ATOM 2240 N MET A 175 118.717 -3.017 -10.542 1.00 0.00 N ATOM 2241 CA MET A 175 117.233 -3.073 -10.361 1.00 0.00 C ATOM 2242 C MET A 175 116.531 -2.975 -11.719 1.00 0.00 C ATOM 2243 O MET A 175 115.550 -3.650 -11.970 1.00 0.00 O ATOM 2244 CB MET A 175 116.891 -1.856 -9.497 1.00 0.00 C ATOM 2245 CG MET A 175 117.419 -2.073 -8.078 1.00 0.00 C ATOM 2246 SD MET A 175 117.282 -0.532 -7.138 1.00 0.00 S ATOM 2247 CE MET A 175 115.479 -0.506 -7.004 1.00 0.00 C ATOM 0 H MET A 175 119.179 -2.239 -10.072 1.00 0.00 H new ATOM 0 HA MET A 175 116.910 -4.006 -9.900 1.00 0.00 H new ATOM 0 HB2 MET A 175 117.332 -0.956 -9.927 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.812 -1.704 -9.476 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.853 -2.863 -7.585 1.00 0.00 H new ATOM 0 HG3 MET A 175 118.458 -2.399 -8.112 1.00 0.00 H new ATOM 0 HE1 MET A 175 115.183 0.172 -6.203 1.00 0.00 H new ATOM 0 HE2 MET A 175 115.049 -0.165 -7.946 1.00 0.00 H new ATOM 0 HE3 MET A 175 115.116 -1.510 -6.782 1.00 0.00 H new ATOM 2257 N GLU A 176 117.029 -2.135 -12.590 1.00 0.00 N ATOM 2258 CA GLU A 176 116.398 -1.981 -13.938 1.00 0.00 C ATOM 2259 C GLU A 176 116.430 -3.311 -14.695 1.00 0.00 C ATOM 2260 O GLU A 176 115.483 -3.671 -15.368 1.00 0.00 O ATOM 2261 CB GLU A 176 117.249 -0.936 -14.664 1.00 0.00 C ATOM 2262 CG GLU A 176 117.029 0.439 -14.024 1.00 0.00 C ATOM 2263 CD GLU A 176 117.876 1.503 -14.740 1.00 0.00 C ATOM 2264 OE1 GLU A 176 118.717 1.135 -15.547 1.00 0.00 O ATOM 2265 OE2 GLU A 176 117.667 2.673 -14.465 1.00 0.00 O ATOM 0 H GLU A 176 117.847 -1.548 -12.427 1.00 0.00 H new ATOM 0 HA GLU A 176 115.353 -1.678 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 176 118.303 -1.209 -14.610 1.00 0.00 H new ATOM 0 HB3 GLU A 176 116.981 -0.904 -15.720 1.00 0.00 H new ATOM 0 HG2 GLU A 176 115.974 0.708 -14.078 1.00 0.00 H new ATOM 0 HG3 GLU A 176 117.295 0.403 -12.968 1.00 0.00 H new ATOM 2272 N THR A 177 117.514 -4.037 -14.591 1.00 0.00 N ATOM 2273 CA THR A 177 117.617 -5.347 -15.309 1.00 0.00 C ATOM 2274 C THR A 177 116.509 -6.297 -14.837 1.00 0.00 C ATOM 2275 O THR A 177 115.921 -7.015 -15.624 1.00 0.00 O ATOM 2276 CB THR A 177 118.999 -5.900 -14.938 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.000 -4.986 -15.365 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.220 -7.250 -15.623 1.00 0.00 C ATOM 0 H THR A 177 118.333 -3.781 -14.040 1.00 0.00 H new ATOM 0 HA THR A 177 117.502 -5.237 -16.387 1.00 0.00 H new ATOM 0 HB THR A 177 119.056 -6.032 -13.858 1.00 0.00 H new ATOM 0 HG1 THR A 177 120.884 -5.335 -15.128 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.203 -7.637 -15.355 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.453 -7.953 -15.298 1.00 0.00 H new ATOM 0 HG23 THR A 177 119.162 -7.123 -16.704 1.00 0.00 H new ATOM 2286 N THR A 178 116.225 -6.303 -13.560 1.00 0.00 N ATOM 2287 CA THR A 178 115.154 -7.205 -13.029 1.00 0.00 C ATOM 2288 C THR A 178 113.783 -6.746 -13.534 1.00 0.00 C ATOM 2289 O THR A 178 112.964 -7.545 -13.947 1.00 0.00 O ATOM 2290 CB THR A 178 115.237 -7.071 -11.505 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.535 -7.452 -11.069 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.195 -7.979 -10.847 1.00 0.00 C ATOM 0 H THR A 178 116.688 -5.723 -12.860 1.00 0.00 H new ATOM 0 HA THR A 178 115.285 -8.237 -13.353 1.00 0.00 H new ATOM 0 HB THR A 178 115.042 -6.036 -11.223 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.545 -7.520 -10.091 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.258 -7.880 -9.763 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.198 -7.690 -11.180 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.385 -9.015 -11.128 1.00 0.00 H new ATOM 2300 N MET A 179 113.529 -5.462 -13.496 1.00 0.00 N ATOM 2301 CA MET A 179 112.209 -4.939 -13.965 1.00 0.00 C ATOM 2302 C MET A 179 111.993 -5.283 -15.442 1.00 0.00 C ATOM 2303 O MET A 179 110.908 -5.652 -15.848 1.00 0.00 O ATOM 2304 CB MET A 179 112.286 -3.423 -13.774 1.00 0.00 C ATOM 2305 CG MET A 179 110.891 -2.819 -13.941 1.00 0.00 C ATOM 2306 SD MET A 179 110.999 -1.015 -13.852 1.00 0.00 S ATOM 2307 CE MET A 179 111.221 -0.714 -15.622 1.00 0.00 C ATOM 0 H MET A 179 114.180 -4.752 -13.160 1.00 0.00 H new ATOM 0 HA MET A 179 111.377 -5.376 -13.413 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.679 -3.189 -12.785 1.00 0.00 H new ATOM 0 HB3 MET A 179 112.972 -2.988 -14.501 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.464 -3.122 -14.897 1.00 0.00 H new ATOM 0 HG3 MET A 179 110.226 -3.193 -13.163 1.00 0.00 H new ATOM 0 HE1 MET A 179 111.312 0.357 -15.800 1.00 0.00 H new ATOM 0 HE2 MET A 179 112.125 -1.217 -15.966 1.00 0.00 H new ATOM 0 HE3 MET A 179 110.360 -1.101 -16.168 1.00 0.00 H new ATOM 2317 N ARG A 180 113.021 -5.162 -16.244 1.00 0.00 N ATOM 2318 CA ARG A 180 112.883 -5.478 -17.701 1.00 0.00 C ATOM 2319 C ARG A 180 112.486 -6.945 -17.888 1.00 0.00 C ATOM 2320 O ARG A 180 111.676 -7.273 -18.734 1.00 0.00 O ATOM 2321 CB ARG A 180 114.265 -5.215 -18.303 1.00 0.00 C ATOM 2322 CG ARG A 180 114.542 -3.711 -18.305 1.00 0.00 C ATOM 2323 CD ARG A 180 115.977 -3.455 -18.773 1.00 0.00 C ATOM 2324 NE ARG A 180 116.008 -3.875 -20.203 1.00 0.00 N ATOM 2325 CZ ARG A 180 117.115 -3.778 -20.886 1.00 0.00 C ATOM 2326 NH1 ARG A 180 117.452 -2.637 -21.423 1.00 0.00 N ATOM 2327 NH2 ARG A 180 117.887 -4.820 -21.032 1.00 0.00 N ATOM 0 H ARG A 180 113.950 -4.858 -15.954 1.00 0.00 H new ATOM 0 HA ARG A 180 112.112 -4.875 -18.181 1.00 0.00 H new ATOM 0 HB2 ARG A 180 115.030 -5.736 -17.727 1.00 0.00 H new ATOM 0 HB3 ARG A 180 114.311 -5.606 -19.320 1.00 0.00 H new ATOM 0 HG2 ARG A 180 113.838 -3.202 -18.963 1.00 0.00 H new ATOM 0 HG3 ARG A 180 114.396 -3.303 -17.305 1.00 0.00 H new ATOM 0 HD2 ARG A 180 116.243 -2.403 -18.667 1.00 0.00 H new ATOM 0 HD3 ARG A 180 116.691 -4.026 -18.180 1.00 0.00 H new ATOM 0 HE ARG A 180 115.164 -4.238 -20.647 1.00 0.00 H new ATOM 0 HH11 ARG A 180 116.850 -1.822 -21.308 1.00 0.00 H new ATOM 0 HH12 ARG A 180 118.318 -2.561 -21.957 1.00 0.00 H new ATOM 0 HH21 ARG A 180 117.625 -5.712 -20.612 1.00 0.00 H new ATOM 0 HH22 ARG A 180 118.752 -4.743 -21.566 1.00 0.00 H new ATOM 2341 N ALA A 181 113.055 -7.826 -17.105 1.00 0.00 N ATOM 2342 CA ALA A 181 112.716 -9.276 -17.230 1.00 0.00 C ATOM 2343 C ALA A 181 111.419 -9.584 -16.478 1.00 0.00 C ATOM 2344 O ALA A 181 110.450 -10.042 -17.051 1.00 0.00 O ATOM 2345 CB ALA A 181 113.894 -10.016 -16.595 1.00 0.00 C ATOM 0 H ALA A 181 113.741 -7.603 -16.383 1.00 0.00 H new ATOM 0 HA ALA A 181 112.559 -9.575 -18.267 1.00 0.00 H new ATOM 0 HB1 ALA A 181 113.720 -11.091 -16.648 1.00 0.00 H new ATOM 0 HB2 ALA A 181 114.810 -9.770 -17.132 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.993 -9.715 -15.552 1.00 0.00 H new TER 2351 ALA A 181 HETATM 2352 O1 4P2 A 201 121.548 -12.405 5.141 1.00 20.00 O HETATM 2353 C8 4P2 A 201 126.745 -10.775 5.827 1.00 20.00 C HETATM 2354 O9 4P2 A 201 127.937 -10.235 5.396 1.00 20.00 O HETATM 2355 C10 4P2 A 201 128.471 -10.641 4.093 1.00 20.00 C HETATM 2356 C11 4P2 A 201 129.984 -10.440 4.157 1.00 20.00 C HETATM 2357 C12 4P2 A 201 130.374 -10.140 2.729 1.00 20.00 C HETATM 2358 C13 4P2 A 201 129.276 -9.193 2.266 1.00 20.00 C HETATM 2359 C14 4P2 A 201 127.977 -9.705 2.952 1.00 20.00 C HETATM 2360 C15 4P2 A 201 127.071 -10.403 1.906 1.00 20.00 C HETATM 2361 C16 4P2 A 201 125.735 -10.907 2.470 1.00 20.00 C HETATM 2362 C17 4P2 A 201 124.621 -10.861 1.419 1.00 20.00 C HETATM 2363 C18 4P2 A 201 123.410 -11.715 1.801 1.00 20.00 C HETATM 2364 C19 4P2 A 201 122.418 -11.004 2.739 1.00 20.00 C HETATM 2365 C20 4P2 A 201 121.131 -11.803 2.830 1.00 20.00 C HETATM 2366 N21 4P2 A 201 120.386 -11.843 1.626 1.00 20.00 N HETATM 2367 C22 4P2 A 201 119.268 -12.659 1.511 1.00 20.00 C HETATM 2368 C23 4P2 A 201 118.520 -12.703 0.273 1.00 20.00 C HETATM 2369 C24 4P2 A 201 117.339 -13.550 0.132 1.00 20.00 C HETATM 2370 C25 4P2 A 201 116.900 -14.390 1.239 1.00 20.00 C HETATM 2371 C26 4P2 A 201 117.630 -14.369 2.506 1.00 20.00 C HETATM 2372 C27 4P2 A 201 118.811 -13.510 2.661 1.00 20.00 C HETATM 2373 C28 4P2 A 201 119.586 -13.432 3.894 1.00 20.00 C HETATM 2374 C29 4P2 A 201 120.761 -12.566 4.013 1.00 20.00 C HETATM 2375 O38 4P2 A 201 126.088 -11.655 5.275 1.00 20.00 O HETATM 2376 C5 4P2 A 201 123.934 -9.675 6.879 1.00 20.00 C HETATM 2377 C6 4P2 A 201 125.053 -10.473 7.652 1.00 20.00 C HETATM 2378 N7 4P2 A 201 126.361 -10.180 7.009 1.00 20.00 N HETATM 2379 O32 4P2 A 201 124.207 -8.632 6.286 1.00 20.00 O HETATM 2380 C33 4P2 A 201 125.050 -10.037 9.153 1.00 20.00 C HETATM 2381 C34 4P2 A 201 126.334 -10.409 9.926 1.00 20.00 C HETATM 2382 C35 4P2 A 201 125.933 -10.421 11.405 1.00 20.00 C HETATM 2383 C36 4P2 A 201 124.410 -10.390 11.432 1.00 20.00 C HETATM 2384 C37 4P2 A 201 123.983 -10.725 10.013 1.00 20.00 C HETATM 2385 N4 4P2 A 201 122.621 -10.148 6.934 1.00 20.00 N HETATM 2386 C31 4P2 A 201 121.497 -9.381 6.355 1.00 20.00 C HETATM 2387 C39 4P2 A 201 121.011 -8.296 7.360 1.00 20.00 C HETATM 2388 O40 4P2 A 201 121.134 -8.427 8.584 1.00 20.00 O HETATM 2389 C30 4P2 A 201 120.386 -10.438 6.101 1.00 20.00 C HETATM 2390 C2 4P2 A 201 121.020 -11.818 6.360 1.00 20.00 C HETATM 2391 C3 4P2 A 201 122.219 -11.498 7.266 1.00 20.00 C HETATM 2392 N41 4P2 A 201 120.487 -7.140 6.772 1.00 20.00 N HETATM 2393 C42 4P2 A 201 120.097 -5.947 7.544 1.00 20.00 C HETATM 2394 C43 4P2 A 201 121.284 -5.014 7.956 1.00 20.00 C HETATM 2395 C44 4P2 A 201 120.334 -4.586 6.881 1.00 20.00 C HETATM 2396 C47 4P2 A 201 121.314 -4.343 9.269 1.00 20.00 C HETATM 2397 C48 4P2 A 201 122.341 -4.382 10.127 1.00 20.00 C HETATM 2398 C45 4P2 A 201 118.766 -6.023 8.335 1.00 20.00 C HETATM 2399 O46 4P2 A 201 118.513 -5.206 9.207 1.00 20.00 O HETATM 2400 N49 4P2 A 201 117.921 -7.070 7.972 1.00 20.00 N HETATM 2401 S 4P2 A 201 116.399 -7.339 8.543 1.00 20.00 S HETATM 2402 O51 4P2 A 201 115.929 -8.527 7.858 1.00 20.00 O HETATM 2403 O52 4P2 A 201 116.383 -7.273 9.985 1.00 20.00 O HETATM 2404 C53 4P2 A 201 115.353 -6.010 7.884 1.00 20.00 C HETATM 2405 C54 4P2 A 201 114.255 -5.562 8.811 1.00 20.00 C HETATM 2406 C55 4P2 A 201 115.459 -4.686 8.584 1.00 20.00 C HETATM 2459 ZN ZN A 202 124.749 12.168 -7.409 1.00 20.00 ZN