USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 904 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 LYS NZ :NH3+ 164:sc= -0.774 (180deg=-0.967) USER MOD Set 2.2: A 71 LYS NZ :NH3+ 152:sc= -0.0165 (180deg=0) USER MOD Set 3.1: A 31 THR OG1 : rot -82:sc= 0.246 USER MOD Set 3.2: A 32 HIS : no HD1:sc= 0.906 K(o=1.2,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 67:sc= 0.598 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -120:sc= 0 USER MOD Single : A 19 MET CE :methyl 178:sc= -5.15! (180deg=-5.17!) USER MOD Single : A 26 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.96) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.246 (180deg=-0.963) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 63 SER OG : rot -96:sc= 1.54 USER MOD Single : A 65 SER OG : rot -150:sc= -0.511 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -147:sc= -1.98 USER MOD Single : A 72 SER OG : rot -163:sc= -0.842 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 33:sc= 0.64 USER MOD Single : A 80 TYR OH : rot 158:sc= -3.2! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -6.09! C(o=-6.1!,f=-11!) USER MOD Single : A 89 THR OG1 : rot 72:sc= 0.114 USER MOD Single : A 90 MET CE :methyl 165:sc= -0.0122 (180deg=-0.262) USER MOD Single : A 91 TYR OH : rot 64:sc= 0.828 USER MOD Single : A 94 SER OG : rot 90:sc= 0.106 USER MOD Single : A 96 MET CE :methyl 154:sc= -2.35 (180deg=-3.85!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN :FLIP amide:sc= 0.92 F(o=-0.056,f=0.92) USER MOD Single : A 104 SER OG : rot 180:sc= -0.285 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 107 SER OG : rot 1:sc= -1.08 USER MOD Single : A 108 MET CE :methyl -152:sc= -0.14 (180deg=-0.797) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HE2:sc= 0.386 K(o=0.39,f=-1.7!) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 114 THR OG1 : rot -171:sc= 1.14 USER MOD Single : A 115 TYR OH : rot 163:sc= 0.0856 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 32:sc= 0.405 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.708 17.549 -5.544 1.00 0.00 N ATOM 2 CA GLY A 1 -21.817 17.633 -4.612 1.00 0.00 C ATOM 3 C GLY A 1 -21.358 17.711 -3.170 1.00 0.00 C ATOM 4 O GLY A 1 -20.528 18.550 -2.820 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.074 17.498 -6.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.107 18.392 -5.445 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.147 16.697 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.419 18.511 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.461 16.762 -4.739 1.00 0.00 H new ATOM 8 N SER A 2 -21.900 16.835 -2.330 1.00 0.00 N ATOM 9 CA SER A 2 -21.545 16.811 -0.916 1.00 0.00 C ATOM 10 C SER A 2 -20.030 16.781 -0.736 1.00 0.00 C ATOM 11 O SER A 2 -19.280 16.715 -1.710 1.00 0.00 O ATOM 12 CB SER A 2 -22.175 15.598 -0.230 1.00 0.00 C ATOM 13 OG SER A 2 -23.587 15.717 -0.179 1.00 0.00 O ATOM 0 H SER A 2 -22.587 16.132 -2.604 1.00 0.00 H new ATOM 0 HA SER A 2 -21.930 17.721 -0.455 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.903 14.690 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.778 15.501 0.781 1.00 0.00 H new ATOM 0 HG SER A 2 -23.966 14.928 0.263 1.00 0.00 H new ATOM 19 N SER A 3 -19.588 16.830 0.516 1.00 0.00 N ATOM 20 CA SER A 3 -18.163 16.812 0.825 1.00 0.00 C ATOM 21 C SER A 3 -17.753 15.469 1.423 1.00 0.00 C ATOM 22 O SER A 3 -16.911 14.762 0.871 1.00 0.00 O ATOM 23 CB SER A 3 -17.815 17.942 1.796 1.00 0.00 C ATOM 24 OG SER A 3 -17.643 19.170 1.108 1.00 0.00 O ATOM 0 H SER A 3 -20.196 16.882 1.333 1.00 0.00 H new ATOM 0 HA SER A 3 -17.614 16.959 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.607 18.045 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.902 17.693 2.337 1.00 0.00 H new ATOM 0 HG SER A 3 -17.423 19.877 1.750 1.00 0.00 H new ATOM 30 N GLY A 4 -18.357 15.125 2.556 1.00 0.00 N ATOM 31 CA GLY A 4 -18.042 13.868 3.211 1.00 0.00 C ATOM 32 C GLY A 4 -17.263 14.064 4.497 1.00 0.00 C ATOM 33 O GLY A 4 -16.781 15.161 4.778 1.00 0.00 O ATOM 0 H GLY A 4 -19.058 15.693 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.967 13.333 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.464 13.242 2.531 1.00 0.00 H new ATOM 37 N SER A 5 -17.139 12.997 5.280 1.00 0.00 N ATOM 38 CA SER A 5 -16.417 13.057 6.545 1.00 0.00 C ATOM 39 C SER A 5 -15.032 12.432 6.411 1.00 0.00 C ATOM 40 O SER A 5 -14.741 11.746 5.431 1.00 0.00 O ATOM 41 CB SER A 5 -17.207 12.342 7.643 1.00 0.00 C ATOM 42 OG SER A 5 -17.085 10.935 7.525 1.00 0.00 O ATOM 0 H SER A 5 -17.529 12.081 5.060 1.00 0.00 H new ATOM 0 HA SER A 5 -16.299 14.106 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.846 12.661 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.258 12.625 7.583 1.00 0.00 H new ATOM 0 HG SER A 5 -17.597 10.501 8.239 1.00 0.00 H new ATOM 48 N SER A 6 -14.181 12.675 7.403 1.00 0.00 N ATOM 49 CA SER A 6 -12.825 12.139 7.395 1.00 0.00 C ATOM 50 C SER A 6 -12.662 11.057 8.458 1.00 0.00 C ATOM 51 O SER A 6 -11.647 11.000 9.151 1.00 0.00 O ATOM 52 CB SER A 6 -11.810 13.259 7.631 1.00 0.00 C ATOM 53 OG SER A 6 -11.764 13.626 9.000 1.00 0.00 O ATOM 0 H SER A 6 -14.407 13.239 8.222 1.00 0.00 H new ATOM 0 HA SER A 6 -12.643 11.693 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.822 12.933 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.075 14.127 7.027 1.00 0.00 H new ATOM 0 HG SER A 6 -11.394 12.886 9.525 1.00 0.00 H new ATOM 59 N GLY A 7 -13.670 10.199 8.580 1.00 0.00 N ATOM 60 CA GLY A 7 -13.620 9.130 9.561 1.00 0.00 C ATOM 61 C GLY A 7 -13.092 9.598 10.902 1.00 0.00 C ATOM 62 O GLY A 7 -13.731 10.399 11.584 1.00 0.00 O ATOM 0 H GLY A 7 -14.520 10.225 8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.619 8.715 9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.987 8.326 9.185 1.00 0.00 H new ATOM 66 N PHE A 8 -11.922 9.096 11.283 1.00 0.00 N ATOM 67 CA PHE A 8 -11.309 9.466 12.554 1.00 0.00 C ATOM 68 C PHE A 8 -9.800 9.632 12.402 1.00 0.00 C ATOM 69 O PHE A 8 -9.174 9.064 11.506 1.00 0.00 O ATOM 70 CB PHE A 8 -11.612 8.408 13.617 1.00 0.00 C ATOM 71 CG PHE A 8 -13.038 8.423 14.088 1.00 0.00 C ATOM 72 CD1 PHE A 8 -13.544 9.514 14.776 1.00 0.00 C ATOM 73 CD2 PHE A 8 -13.874 7.346 13.841 1.00 0.00 C ATOM 74 CE1 PHE A 8 -14.855 9.529 15.211 1.00 0.00 C ATOM 75 CE2 PHE A 8 -15.187 7.356 14.273 1.00 0.00 C ATOM 76 CZ PHE A 8 -15.679 8.450 14.958 1.00 0.00 C ATOM 0 H PHE A 8 -11.379 8.432 10.730 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.732 10.420 12.869 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.381 7.422 13.213 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.954 8.564 14.472 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.906 10.363 14.974 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -13.495 6.489 13.305 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -15.236 10.385 15.749 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -15.828 6.509 14.075 1.00 0.00 H new ATOM 0 HZ PHE A 8 -16.705 8.461 15.295 1.00 0.00 H new ATOM 86 N PRO A 9 -9.200 10.431 13.297 1.00 0.00 N ATOM 87 CA PRO A 9 -7.757 10.691 13.284 1.00 0.00 C ATOM 88 C PRO A 9 -6.943 9.466 13.685 1.00 0.00 C ATOM 89 O PRO A 9 -7.432 8.589 14.398 1.00 0.00 O ATOM 90 CB PRO A 9 -7.589 11.807 14.318 1.00 0.00 C ATOM 91 CG PRO A 9 -8.750 11.649 15.238 1.00 0.00 C ATOM 92 CD PRO A 9 -9.883 11.140 14.391 1.00 0.00 C ATOM 0 HA PRO A 9 -7.399 10.955 12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.644 11.712 14.853 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.590 12.789 13.845 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.519 10.950 16.042 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.009 12.599 15.706 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.538 10.475 14.954 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.502 11.955 14.017 1.00 0.00 H new ATOM 100 N THR A 10 -5.698 9.411 13.223 1.00 0.00 N ATOM 101 CA THR A 10 -4.816 8.293 13.533 1.00 0.00 C ATOM 102 C THR A 10 -3.401 8.775 13.832 1.00 0.00 C ATOM 103 O THR A 10 -3.053 9.921 13.548 1.00 0.00 O ATOM 104 CB THR A 10 -4.767 7.278 12.375 1.00 0.00 C ATOM 105 OG1 THR A 10 -4.049 6.107 12.780 1.00 0.00 O ATOM 106 CG2 THR A 10 -4.104 7.887 11.149 1.00 0.00 C ATOM 0 H THR A 10 -5.277 10.128 12.632 1.00 0.00 H new ATOM 0 HA THR A 10 -5.225 7.804 14.417 1.00 0.00 H new ATOM 0 HB THR A 10 -5.790 7.005 12.117 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.024 5.466 12.039 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.081 7.152 10.345 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.670 8.761 10.826 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.085 8.186 11.397 1.00 0.00 H new ATOM 114 N SER A 11 -2.589 7.892 14.405 1.00 0.00 N ATOM 115 CA SER A 11 -1.212 8.230 14.745 1.00 0.00 C ATOM 116 C SER A 11 -0.353 8.336 13.489 1.00 0.00 C ATOM 117 O SER A 11 -0.379 7.457 12.628 1.00 0.00 O ATOM 118 CB SER A 11 -0.626 7.179 15.690 1.00 0.00 C ATOM 119 OG SER A 11 -1.436 7.020 16.842 1.00 0.00 O ATOM 0 H SER A 11 -2.861 6.938 14.643 1.00 0.00 H new ATOM 0 HA SER A 11 -1.214 9.198 15.246 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.538 6.226 15.169 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.380 7.474 15.987 1.00 0.00 H new ATOM 0 HG SER A 11 -1.041 6.342 17.429 1.00 0.00 H new ATOM 125 N VAL A 12 0.409 9.421 13.391 1.00 0.00 N ATOM 126 CA VAL A 12 1.278 9.644 12.242 1.00 0.00 C ATOM 127 C VAL A 12 2.742 9.710 12.663 1.00 0.00 C ATOM 128 O VAL A 12 3.078 10.159 13.759 1.00 0.00 O ATOM 129 CB VAL A 12 0.909 10.944 11.503 1.00 0.00 C ATOM 130 CG1 VAL A 12 -0.493 10.848 10.921 1.00 0.00 C ATOM 131 CG2 VAL A 12 1.026 12.139 12.438 1.00 0.00 C ATOM 0 H VAL A 12 0.442 10.159 14.094 1.00 0.00 H new ATOM 0 HA VAL A 12 1.135 8.799 11.569 1.00 0.00 H new ATOM 0 HB VAL A 12 1.609 11.085 10.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.736 11.776 10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.539 10.017 10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.210 10.683 11.725 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.762 13.049 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.350 12.008 13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.050 12.217 12.802 1.00 0.00 H new ATOM 141 N PRO A 13 3.635 9.252 11.773 1.00 0.00 N ATOM 142 CA PRO A 13 5.078 9.249 12.030 1.00 0.00 C ATOM 143 C PRO A 13 5.667 10.655 12.045 1.00 0.00 C ATOM 144 O PRO A 13 5.066 11.596 11.526 1.00 0.00 O ATOM 145 CB PRO A 13 5.645 8.444 10.858 1.00 0.00 C ATOM 146 CG PRO A 13 4.642 8.604 9.768 1.00 0.00 C ATOM 147 CD PRO A 13 3.305 8.703 10.448 1.00 0.00 C ATOM 0 HA PRO A 13 5.317 8.831 13.008 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.622 8.820 10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.776 7.395 11.125 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.847 9.497 9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.670 7.756 9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.624 9.355 9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.821 7.730 10.526 1.00 0.00 H new ATOM 155 N ASP A 14 6.846 10.792 12.642 1.00 0.00 N ATOM 156 CA ASP A 14 7.517 12.084 12.723 1.00 0.00 C ATOM 157 C ASP A 14 7.311 12.884 11.441 1.00 0.00 C ATOM 158 O ASP A 14 7.153 12.315 10.360 1.00 0.00 O ATOM 159 CB ASP A 14 9.012 11.891 12.984 1.00 0.00 C ATOM 160 CG ASP A 14 9.285 11.235 14.324 1.00 0.00 C ATOM 161 OD1 ASP A 14 9.003 11.867 15.362 1.00 0.00 O ATOM 162 OD2 ASP A 14 9.782 10.089 14.333 1.00 0.00 O ATOM 0 H ASP A 14 7.357 10.024 13.077 1.00 0.00 H new ATOM 0 HA ASP A 14 7.081 12.641 13.552 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.441 11.280 12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.512 12.859 12.948 1.00 0.00 H new ATOM 167 N LEU A 15 7.314 14.207 11.568 1.00 0.00 N ATOM 168 CA LEU A 15 7.127 15.086 10.420 1.00 0.00 C ATOM 169 C LEU A 15 8.381 15.124 9.553 1.00 0.00 C ATOM 170 O LEU A 15 9.224 16.009 9.702 1.00 0.00 O ATOM 171 CB LEU A 15 6.773 16.499 10.887 1.00 0.00 C ATOM 172 CG LEU A 15 5.483 16.635 11.697 1.00 0.00 C ATOM 173 CD1 LEU A 15 5.508 17.907 12.531 1.00 0.00 C ATOM 174 CD2 LEU A 15 4.271 16.621 10.778 1.00 0.00 C ATOM 0 H LEU A 15 7.444 14.694 12.455 1.00 0.00 H new ATOM 0 HA LEU A 15 6.306 14.691 9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.598 16.878 11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.697 17.142 10.010 1.00 0.00 H new ATOM 0 HG LEU A 15 5.410 15.783 12.373 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.582 17.987 13.101 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.354 17.876 13.217 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.605 18.771 11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.363 16.719 11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.337 17.453 10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.244 15.682 10.226 1.00 0.00 H new ATOM 186 N SER A 16 8.496 14.160 8.645 1.00 0.00 N ATOM 187 CA SER A 16 9.648 14.082 7.755 1.00 0.00 C ATOM 188 C SER A 16 9.620 15.211 6.729 1.00 0.00 C ATOM 189 O SER A 16 10.643 15.836 6.446 1.00 0.00 O ATOM 190 CB SER A 16 9.677 12.729 7.040 1.00 0.00 C ATOM 191 OG SER A 16 9.586 11.661 7.967 1.00 0.00 O ATOM 0 H SER A 16 7.805 13.422 8.507 1.00 0.00 H new ATOM 0 HA SER A 16 10.549 14.185 8.359 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.851 12.671 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.598 12.638 6.464 1.00 0.00 H new ATOM 0 HG SER A 16 9.605 10.808 7.486 1.00 0.00 H new ATOM 197 N THR A 17 8.439 15.468 6.174 1.00 0.00 N ATOM 198 CA THR A 17 8.275 16.520 5.179 1.00 0.00 C ATOM 199 C THR A 17 6.961 17.266 5.378 1.00 0.00 C ATOM 200 O THR A 17 5.978 16.717 5.877 1.00 0.00 O ATOM 201 CB THR A 17 8.318 15.952 3.748 1.00 0.00 C ATOM 202 OG1 THR A 17 7.379 14.879 3.619 1.00 0.00 O ATOM 203 CG2 THR A 17 9.714 15.454 3.405 1.00 0.00 C ATOM 0 H THR A 17 7.582 14.961 6.397 1.00 0.00 H new ATOM 0 HA THR A 17 9.106 17.212 5.312 1.00 0.00 H new ATOM 0 HB THR A 17 8.054 16.751 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.853 14.058 3.370 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.720 15.057 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.422 16.279 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.002 14.668 4.103 1.00 0.00 H new ATOM 211 N PRO A 18 6.939 18.546 4.979 1.00 0.00 N ATOM 212 CA PRO A 18 5.750 19.394 5.103 1.00 0.00 C ATOM 213 C PRO A 18 4.637 18.975 4.148 1.00 0.00 C ATOM 214 O PRO A 18 3.603 19.635 4.059 1.00 0.00 O ATOM 215 CB PRO A 18 6.269 20.788 4.742 1.00 0.00 C ATOM 216 CG PRO A 18 7.452 20.538 3.873 1.00 0.00 C ATOM 217 CD PRO A 18 8.074 19.265 4.376 1.00 0.00 C ATOM 0 HA PRO A 18 5.308 19.334 6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.510 21.370 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.545 21.351 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.155 20.441 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.159 21.366 3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.528 18.693 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.859 19.462 5.107 1.00 0.00 H new ATOM 225 N MET A 19 4.858 17.875 3.436 1.00 0.00 N ATOM 226 CA MET A 19 3.872 17.368 2.489 1.00 0.00 C ATOM 227 C MET A 19 2.705 16.711 3.218 1.00 0.00 C ATOM 228 O MET A 19 2.627 16.748 4.447 1.00 0.00 O ATOM 229 CB MET A 19 4.521 16.365 1.532 1.00 0.00 C ATOM 230 CG MET A 19 5.575 16.983 0.627 1.00 0.00 C ATOM 231 SD MET A 19 5.675 16.168 -0.978 1.00 0.00 S ATOM 232 CE MET A 19 4.001 16.388 -1.575 1.00 0.00 C ATOM 0 H MET A 19 5.710 17.318 3.497 1.00 0.00 H new ATOM 0 HA MET A 19 3.489 18.212 1.915 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.977 15.564 2.113 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.746 15.910 0.915 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.349 18.039 0.481 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.547 16.930 1.118 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.914 15.967 -2.576 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.306 15.880 -0.906 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.763 17.451 -1.607 1.00 0.00 H new ATOM 242 N LEU A 20 1.799 16.110 2.454 1.00 0.00 N ATOM 243 CA LEU A 20 0.635 15.444 3.028 1.00 0.00 C ATOM 244 C LEU A 20 0.305 14.167 2.263 1.00 0.00 C ATOM 245 O LEU A 20 -0.204 14.199 1.142 1.00 0.00 O ATOM 246 CB LEU A 20 -0.572 16.384 3.017 1.00 0.00 C ATOM 247 CG LEU A 20 -1.627 16.135 4.095 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.151 14.710 4.011 1.00 0.00 C ATOM 249 CD2 LEU A 20 -1.054 16.413 5.477 1.00 0.00 C ATOM 0 H LEU A 20 1.848 16.070 1.436 1.00 0.00 H new ATOM 0 HA LEU A 20 0.872 15.178 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.211 17.407 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.054 16.312 2.042 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.460 16.817 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.901 14.552 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.601 14.545 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.328 14.010 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.819 16.230 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.203 15.756 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.729 17.452 5.534 1.00 0.00 H new ATOM 261 N PRO A 21 0.600 13.013 2.881 1.00 0.00 N ATOM 262 CA PRO A 21 0.341 11.703 2.277 1.00 0.00 C ATOM 263 C PRO A 21 -1.149 11.389 2.189 1.00 0.00 C ATOM 264 O PRO A 21 -1.975 11.986 2.880 1.00 0.00 O ATOM 265 CB PRO A 21 1.037 10.729 3.231 1.00 0.00 C ATOM 266 CG PRO A 21 1.067 11.438 4.541 1.00 0.00 C ATOM 267 CD PRO A 21 1.207 12.900 4.217 1.00 0.00 C ATOM 0 HA PRO A 21 0.704 11.649 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.492 9.788 3.303 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.043 10.489 2.887 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.155 11.249 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.900 11.092 5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.691 13.524 4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.251 13.212 4.212 1.00 0.00 H new ATOM 275 N PRO A 22 -1.502 10.430 1.321 1.00 0.00 N ATOM 276 CA PRO A 22 -2.894 10.015 1.123 1.00 0.00 C ATOM 277 C PRO A 22 -3.452 9.265 2.328 1.00 0.00 C ATOM 278 O PRO A 22 -2.820 9.207 3.383 1.00 0.00 O ATOM 279 CB PRO A 22 -2.819 9.090 -0.094 1.00 0.00 C ATOM 280 CG PRO A 22 -1.423 8.569 -0.088 1.00 0.00 C ATOM 281 CD PRO A 22 -0.570 9.677 0.465 1.00 0.00 C ATOM 0 HA PRO A 22 -3.558 10.868 0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.544 8.280 -0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.036 9.630 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.344 7.672 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.104 8.296 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.274 9.288 1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.159 10.302 -0.328 1.00 0.00 H new ATOM 289 N VAL A 23 -4.640 8.692 2.165 1.00 0.00 N ATOM 290 CA VAL A 23 -5.282 7.944 3.239 1.00 0.00 C ATOM 291 C VAL A 23 -6.242 6.899 2.683 1.00 0.00 C ATOM 292 O VAL A 23 -6.389 6.758 1.470 1.00 0.00 O ATOM 293 CB VAL A 23 -6.053 8.879 4.190 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.104 9.860 4.861 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.151 9.616 3.438 1.00 0.00 C ATOM 0 H VAL A 23 -5.178 8.732 1.299 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.489 7.445 3.796 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.520 8.273 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.667 10.512 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.358 9.310 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.606 10.462 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.685 10.272 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.709 10.211 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.847 8.894 3.010 1.00 0.00 H new ATOM 305 N GLY A 24 -6.896 6.167 3.580 1.00 0.00 N ATOM 306 CA GLY A 24 -7.835 5.143 3.160 1.00 0.00 C ATOM 307 C GLY A 24 -7.258 4.227 2.100 1.00 0.00 C ATOM 308 O GLY A 24 -7.867 4.019 1.050 1.00 0.00 O ATOM 0 H GLY A 24 -6.792 6.265 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.132 4.550 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.737 5.618 2.774 1.00 0.00 H new ATOM 312 N VAL A 25 -6.078 3.679 2.371 1.00 0.00 N ATOM 313 CA VAL A 25 -5.417 2.781 1.432 1.00 0.00 C ATOM 314 C VAL A 25 -6.032 1.387 1.480 1.00 0.00 C ATOM 315 O VAL A 25 -6.023 0.730 2.521 1.00 0.00 O ATOM 316 CB VAL A 25 -3.909 2.675 1.723 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.191 1.982 0.575 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.318 4.053 1.978 1.00 0.00 C ATOM 0 H VAL A 25 -5.560 3.842 3.234 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.558 3.204 0.437 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.771 2.074 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.126 1.916 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.597 0.979 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.335 2.554 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.251 3.959 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.466 4.681 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.813 4.508 2.836 1.00 0.00 H new ATOM 328 N GLN A 26 -6.565 0.941 0.347 1.00 0.00 N ATOM 329 CA GLN A 26 -7.185 -0.375 0.260 1.00 0.00 C ATOM 330 C GLN A 26 -6.493 -1.235 -0.792 1.00 0.00 C ATOM 331 O GLN A 26 -6.276 -0.796 -1.921 1.00 0.00 O ATOM 332 CB GLN A 26 -8.672 -0.242 -0.071 1.00 0.00 C ATOM 333 CG GLN A 26 -9.379 -1.576 -0.247 1.00 0.00 C ATOM 334 CD GLN A 26 -10.773 -1.427 -0.824 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.262 -0.314 -1.017 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.421 -2.552 -1.104 1.00 0.00 N ATOM 0 H GLN A 26 -6.580 1.472 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.078 -0.863 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.164 0.318 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.781 0.341 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.785 -2.214 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.441 -2.080 0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.977 -3.453 -0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.362 -2.515 -1.495 1.00 0.00 H new ATOM 345 N ALA A 27 -6.147 -2.461 -0.414 1.00 0.00 N ATOM 346 CA ALA A 27 -5.480 -3.382 -1.326 1.00 0.00 C ATOM 347 C ALA A 27 -6.424 -4.496 -1.768 1.00 0.00 C ATOM 348 O ALA A 27 -6.657 -5.455 -1.033 1.00 0.00 O ATOM 349 CB ALA A 27 -4.240 -3.969 -0.669 1.00 0.00 C ATOM 0 H ALA A 27 -6.318 -2.840 0.518 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.179 -2.823 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.752 -4.655 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.551 -3.165 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.527 -4.508 0.234 1.00 0.00 H new ATOM 355 N VAL A 28 -6.966 -4.361 -2.974 1.00 0.00 N ATOM 356 CA VAL A 28 -7.884 -5.356 -3.515 1.00 0.00 C ATOM 357 C VAL A 28 -7.147 -6.374 -4.378 1.00 0.00 C ATOM 358 O VAL A 28 -6.242 -6.022 -5.134 1.00 0.00 O ATOM 359 CB VAL A 28 -8.995 -4.698 -4.355 1.00 0.00 C ATOM 360 CG1 VAL A 28 -9.998 -5.740 -4.826 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.687 -3.603 -3.557 1.00 0.00 C ATOM 0 H VAL A 28 -6.785 -3.572 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.335 -5.865 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.540 -4.244 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.775 -5.256 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.489 -6.486 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.450 -6.226 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.469 -3.149 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.130 -4.032 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.959 -2.843 -3.275 1.00 0.00 H new ATOM 371 N ALA A 29 -7.540 -7.638 -4.259 1.00 0.00 N ATOM 372 CA ALA A 29 -6.917 -8.707 -5.029 1.00 0.00 C ATOM 373 C ALA A 29 -7.753 -9.058 -6.256 1.00 0.00 C ATOM 374 O ALA A 29 -8.873 -9.555 -6.136 1.00 0.00 O ATOM 375 CB ALA A 29 -6.715 -9.938 -4.157 1.00 0.00 C ATOM 0 H ALA A 29 -8.287 -7.946 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.944 -8.355 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.249 -10.728 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.071 -9.685 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.680 -10.283 -3.786 1.00 0.00 H new ATOM 381 N LEU A 30 -7.202 -8.794 -7.436 1.00 0.00 N ATOM 382 CA LEU A 30 -7.897 -9.081 -8.686 1.00 0.00 C ATOM 383 C LEU A 30 -7.737 -10.548 -9.074 1.00 0.00 C ATOM 384 O LEU A 30 -8.718 -11.243 -9.339 1.00 0.00 O ATOM 385 CB LEU A 30 -7.365 -8.185 -9.805 1.00 0.00 C ATOM 386 CG LEU A 30 -7.352 -6.684 -9.514 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.462 -5.955 -10.508 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.766 -6.122 -9.550 1.00 0.00 C ATOM 0 H LEU A 30 -6.276 -8.382 -7.553 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.958 -8.877 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.348 -8.498 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.967 -8.357 -10.698 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.946 -6.531 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.465 -4.888 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.444 -6.338 -10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.838 -6.116 -11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.738 -5.053 -9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.198 -6.287 -10.537 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.376 -6.623 -8.798 1.00 0.00 H new ATOM 400 N THR A 31 -6.492 -11.014 -9.103 1.00 0.00 N ATOM 401 CA THR A 31 -6.203 -12.398 -9.457 1.00 0.00 C ATOM 402 C THR A 31 -4.974 -12.910 -8.715 1.00 0.00 C ATOM 403 O THR A 31 -4.322 -12.164 -7.983 1.00 0.00 O ATOM 404 CB THR A 31 -5.975 -12.555 -10.972 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.193 -13.915 -11.363 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.564 -12.132 -11.354 1.00 0.00 C ATOM 0 H THR A 31 -5.668 -10.453 -8.886 1.00 0.00 H new ATOM 0 HA THR A 31 -7.073 -12.987 -9.165 1.00 0.00 H new ATOM 0 HB THR A 31 -6.684 -11.910 -11.492 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.386 -14.441 -11.181 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.427 -12.252 -12.429 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.411 -11.087 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.842 -12.754 -10.824 1.00 0.00 H new ATOM 414 N HIS A 32 -4.661 -14.188 -8.907 1.00 0.00 N ATOM 415 CA HIS A 32 -3.508 -14.800 -8.256 1.00 0.00 C ATOM 416 C HIS A 32 -2.262 -13.938 -8.436 1.00 0.00 C ATOM 417 O HIS A 32 -1.412 -13.866 -7.548 1.00 0.00 O ATOM 418 CB HIS A 32 -3.260 -16.199 -8.820 1.00 0.00 C ATOM 419 CG HIS A 32 -3.304 -16.259 -10.316 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.480 -16.239 -11.036 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.308 -16.336 -11.228 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.205 -16.303 -12.326 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.893 -16.363 -12.470 1.00 0.00 N ATOM 0 H HIS A 32 -5.190 -14.820 -9.508 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.723 -14.879 -7.190 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.287 -16.552 -8.479 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.006 -16.882 -8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.249 -16.370 -11.018 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.929 -16.306 -13.127 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.396 -16.420 -13.359 1.00 0.00 H new ATOM 432 N ASP A 33 -2.160 -13.287 -9.590 1.00 0.00 N ATOM 433 CA ASP A 33 -1.018 -12.430 -9.886 1.00 0.00 C ATOM 434 C ASP A 33 -1.474 -11.012 -10.217 1.00 0.00 C ATOM 435 O ASP A 33 -0.951 -10.380 -11.134 1.00 0.00 O ATOM 436 CB ASP A 33 -0.211 -13.004 -11.051 1.00 0.00 C ATOM 437 CG ASP A 33 0.347 -14.381 -10.746 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.455 -14.725 -9.551 1.00 0.00 O ATOM 439 OD2 ASP A 33 0.675 -15.114 -11.703 1.00 0.00 O ATOM 0 H ASP A 33 -2.854 -13.337 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.385 -12.391 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.845 -13.060 -11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.610 -12.327 -11.289 1.00 0.00 H new ATOM 444 N ALA A 34 -2.453 -10.520 -9.464 1.00 0.00 N ATOM 445 CA ALA A 34 -2.978 -9.177 -9.677 1.00 0.00 C ATOM 446 C ALA A 34 -3.588 -8.617 -8.397 1.00 0.00 C ATOM 447 O ALA A 34 -4.270 -9.329 -7.659 1.00 0.00 O ATOM 448 CB ALA A 34 -4.010 -9.186 -10.795 1.00 0.00 C ATOM 0 H ALA A 34 -2.898 -11.031 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.149 -8.531 -9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.394 -8.177 -10.944 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.545 -9.537 -11.716 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.831 -9.851 -10.527 1.00 0.00 H new ATOM 454 N VAL A 35 -3.338 -7.338 -8.138 1.00 0.00 N ATOM 455 CA VAL A 35 -3.862 -6.682 -6.946 1.00 0.00 C ATOM 456 C VAL A 35 -4.147 -5.208 -7.211 1.00 0.00 C ATOM 457 O VAL A 35 -3.235 -4.428 -7.488 1.00 0.00 O ATOM 458 CB VAL A 35 -2.883 -6.800 -5.763 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.187 -5.744 -4.711 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.940 -8.196 -5.162 1.00 0.00 C ATOM 0 H VAL A 35 -2.775 -6.735 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.792 -7.189 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.872 -6.630 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.485 -5.843 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.090 -4.752 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.204 -5.879 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.242 -8.262 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.950 -8.398 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.668 -8.930 -5.921 1.00 0.00 H new ATOM 470 N ARG A 36 -5.419 -4.831 -7.123 1.00 0.00 N ATOM 471 CA ARG A 36 -5.825 -3.450 -7.353 1.00 0.00 C ATOM 472 C ARG A 36 -5.772 -2.645 -6.058 1.00 0.00 C ATOM 473 O ARG A 36 -6.582 -2.849 -5.154 1.00 0.00 O ATOM 474 CB ARG A 36 -7.237 -3.402 -7.939 1.00 0.00 C ATOM 475 CG ARG A 36 -7.818 -2.000 -8.013 1.00 0.00 C ATOM 476 CD ARG A 36 -7.249 -1.221 -9.188 1.00 0.00 C ATOM 477 NE ARG A 36 -7.881 -1.595 -10.450 1.00 0.00 N ATOM 478 CZ ARG A 36 -7.857 -0.833 -11.538 1.00 0.00 C ATOM 479 NH1 ARG A 36 -7.235 0.338 -11.518 1.00 0.00 N ATOM 480 NH2 ARG A 36 -8.455 -1.242 -12.649 1.00 0.00 N ATOM 0 H ARG A 36 -6.186 -5.463 -6.894 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.129 -3.007 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.221 -3.833 -8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.894 -4.027 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.902 -2.059 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.606 -1.468 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.387 -0.154 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.175 -1.397 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.367 -2.490 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.773 0.656 -10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.218 0.921 -12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.934 -2.142 -12.669 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.436 -0.656 -13.484 1.00 0.00 H new ATOM 494 N VAL A 37 -4.813 -1.728 -5.976 1.00 0.00 N ATOM 495 CA VAL A 37 -4.654 -0.892 -4.792 1.00 0.00 C ATOM 496 C VAL A 37 -5.237 0.499 -5.020 1.00 0.00 C ATOM 497 O VAL A 37 -4.715 1.279 -5.816 1.00 0.00 O ATOM 498 CB VAL A 37 -3.173 -0.756 -4.394 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.031 0.098 -3.144 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.550 -2.128 -4.186 1.00 0.00 C ATOM 0 H VAL A 37 -4.135 -1.545 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.195 -1.383 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.641 -0.259 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.977 0.182 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.438 1.091 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.576 -0.366 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.503 -2.013 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.083 -2.653 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.617 -2.702 -5.110 1.00 0.00 H new ATOM 510 N SER A 38 -6.323 0.802 -4.316 1.00 0.00 N ATOM 511 CA SER A 38 -6.980 2.098 -4.444 1.00 0.00 C ATOM 512 C SER A 38 -6.916 2.870 -3.130 1.00 0.00 C ATOM 513 O SER A 38 -6.824 2.280 -2.054 1.00 0.00 O ATOM 514 CB SER A 38 -8.437 1.914 -4.871 1.00 0.00 C ATOM 515 OG SER A 38 -9.261 2.928 -4.321 1.00 0.00 O ATOM 0 H SER A 38 -6.767 0.168 -3.651 1.00 0.00 H new ATOM 0 HA SER A 38 -6.455 2.671 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.506 1.935 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.793 0.936 -4.548 1.00 0.00 H new ATOM 0 HG SER A 38 -10.187 2.789 -4.610 1.00 0.00 H new ATOM 521 N TRP A 39 -6.967 4.194 -3.227 1.00 0.00 N ATOM 522 CA TRP A 39 -6.915 5.049 -2.046 1.00 0.00 C ATOM 523 C TRP A 39 -7.734 6.318 -2.257 1.00 0.00 C ATOM 524 O TRP A 39 -8.400 6.475 -3.279 1.00 0.00 O ATOM 525 CB TRP A 39 -5.466 5.411 -1.717 1.00 0.00 C ATOM 526 CG TRP A 39 -4.745 6.071 -2.853 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.570 7.412 -3.044 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.105 5.420 -3.956 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.860 7.634 -4.199 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.562 6.428 -4.776 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.936 4.084 -4.328 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.864 6.139 -5.946 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.243 3.799 -5.490 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.713 4.822 -6.287 1.00 0.00 C ATOM 0 H TRP A 39 -7.044 4.698 -4.110 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.343 4.497 -1.209 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.452 6.075 -0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.929 4.506 -1.432 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.936 8.184 -2.384 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.597 8.548 -4.567 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.339 3.288 -3.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.456 6.926 -6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.108 2.770 -5.788 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.175 4.567 -7.188 1.00 0.00 H new ATOM 545 N ALA A 40 -7.679 7.221 -1.283 1.00 0.00 N ATOM 546 CA ALA A 40 -8.414 8.477 -1.364 1.00 0.00 C ATOM 547 C ALA A 40 -7.492 9.669 -1.128 1.00 0.00 C ATOM 548 O ALA A 40 -6.648 9.645 -0.232 1.00 0.00 O ATOM 549 CB ALA A 40 -9.557 8.485 -0.360 1.00 0.00 C ATOM 0 H ALA A 40 -7.133 7.106 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.827 8.564 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.097 9.429 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.237 7.661 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.157 8.371 0.648 1.00 0.00 H new ATOM 555 N ASP A 41 -7.658 10.708 -1.938 1.00 0.00 N ATOM 556 CA ASP A 41 -6.841 11.910 -1.817 1.00 0.00 C ATOM 557 C ASP A 41 -7.465 12.896 -0.835 1.00 0.00 C ATOM 558 O ASP A 41 -8.481 13.523 -1.131 1.00 0.00 O ATOM 559 CB ASP A 41 -6.667 12.574 -3.184 1.00 0.00 C ATOM 560 CG ASP A 41 -7.966 13.143 -3.721 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.037 12.603 -3.375 1.00 0.00 O ATOM 562 OD2 ASP A 41 -7.912 14.128 -4.487 1.00 0.00 O ATOM 0 H ASP A 41 -8.351 10.743 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.863 11.617 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.929 13.372 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.273 11.844 -3.892 1.00 0.00 H new ATOM 567 N ASN A 42 -6.851 13.025 0.337 1.00 0.00 N ATOM 568 CA ASN A 42 -7.348 13.933 1.364 1.00 0.00 C ATOM 569 C ASN A 42 -6.731 15.319 1.210 1.00 0.00 C ATOM 570 O ASN A 42 -7.392 16.333 1.436 1.00 0.00 O ATOM 571 CB ASN A 42 -7.040 13.378 2.757 1.00 0.00 C ATOM 572 CG ASN A 42 -8.031 13.856 3.801 1.00 0.00 C ATOM 573 OD1 ASN A 42 -7.928 14.975 4.303 1.00 0.00 O ATOM 574 ND2 ASN A 42 -8.996 13.006 4.133 1.00 0.00 N ATOM 0 H ASN A 42 -6.009 12.512 0.599 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.428 14.020 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.050 12.289 2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.034 13.678 3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.691 13.271 4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.042 12.088 3.690 1.00 0.00 H new ATOM 581 N SER A 43 -5.460 15.356 0.822 1.00 0.00 N ATOM 582 CA SER A 43 -4.752 16.618 0.640 1.00 0.00 C ATOM 583 C SER A 43 -5.518 17.539 -0.304 1.00 0.00 C ATOM 584 O SER A 43 -5.366 18.760 -0.258 1.00 0.00 O ATOM 585 CB SER A 43 -3.346 16.364 0.094 1.00 0.00 C ATOM 586 OG SER A 43 -3.390 15.558 -1.071 1.00 0.00 O ATOM 0 H SER A 43 -4.899 14.526 0.628 1.00 0.00 H new ATOM 0 HA SER A 43 -4.674 17.106 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.864 17.314 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.739 15.875 0.856 1.00 0.00 H new ATOM 0 HG SER A 43 -2.479 15.411 -1.402 1.00 0.00 H new ATOM 592 N VAL A 44 -6.343 16.945 -1.160 1.00 0.00 N ATOM 593 CA VAL A 44 -7.135 17.711 -2.116 1.00 0.00 C ATOM 594 C VAL A 44 -8.610 17.711 -1.731 1.00 0.00 C ATOM 595 O VAL A 44 -9.331 16.735 -1.937 1.00 0.00 O ATOM 596 CB VAL A 44 -6.988 17.151 -3.543 1.00 0.00 C ATOM 597 CG1 VAL A 44 -7.836 17.951 -4.520 1.00 0.00 C ATOM 598 CG2 VAL A 44 -5.527 17.152 -3.967 1.00 0.00 C ATOM 0 H VAL A 44 -6.481 15.936 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.756 18.733 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.344 16.121 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.720 17.541 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.883 17.894 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.513 18.992 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.441 16.753 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.143 18.172 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.949 16.532 -3.282 1.00 0.00 H new ATOM 608 N PRO A 45 -9.072 18.833 -1.160 1.00 0.00 N ATOM 609 CA PRO A 45 -10.466 18.989 -0.735 1.00 0.00 C ATOM 610 C PRO A 45 -11.426 19.080 -1.917 1.00 0.00 C ATOM 611 O PRO A 45 -11.055 18.790 -3.054 1.00 0.00 O ATOM 612 CB PRO A 45 -10.454 20.306 0.046 1.00 0.00 C ATOM 613 CG PRO A 45 -9.300 21.065 -0.510 1.00 0.00 C ATOM 614 CD PRO A 45 -8.269 20.036 -0.884 1.00 0.00 C ATOM 0 HA PRO A 45 -10.812 18.135 -0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.388 20.853 -0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.335 20.131 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.600 21.650 -1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.903 21.766 0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.693 20.343 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.558 19.868 -0.075 1.00 0.00 H new ATOM 622 N LYS A 46 -12.661 19.483 -1.640 1.00 0.00 N ATOM 623 CA LYS A 46 -13.674 19.614 -2.681 1.00 0.00 C ATOM 624 C LYS A 46 -13.232 20.609 -3.749 1.00 0.00 C ATOM 625 O LYS A 46 -13.716 20.576 -4.880 1.00 0.00 O ATOM 626 CB LYS A 46 -15.005 20.062 -2.072 1.00 0.00 C ATOM 627 CG LYS A 46 -14.918 21.379 -1.321 1.00 0.00 C ATOM 628 CD LYS A 46 -16.256 22.100 -1.302 1.00 0.00 C ATOM 629 CE LYS A 46 -16.408 23.023 -2.502 1.00 0.00 C ATOM 630 NZ LYS A 46 -16.874 22.289 -3.711 1.00 0.00 N ATOM 0 H LYS A 46 -12.985 19.725 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.805 18.639 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.745 20.155 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.362 19.289 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.589 21.195 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.167 22.016 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.065 21.369 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.346 22.679 -0.383 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.117 23.816 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.453 23.503 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.315 22.958 -4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.063 21.828 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.570 21.568 -3.433 1.00 0.00 H new ATOM 644 N ASN A 47 -12.309 21.492 -3.383 1.00 0.00 N ATOM 645 CA ASN A 47 -11.801 22.495 -4.311 1.00 0.00 C ATOM 646 C ASN A 47 -10.343 22.828 -4.009 1.00 0.00 C ATOM 647 O ASN A 47 -10.002 23.203 -2.887 1.00 0.00 O ATOM 648 CB ASN A 47 -12.651 23.765 -4.237 1.00 0.00 C ATOM 649 CG ASN A 47 -12.507 24.630 -5.475 1.00 0.00 C ATOM 650 OD1 ASN A 47 -11.864 25.679 -5.442 1.00 0.00 O ATOM 651 ND2 ASN A 47 -13.109 24.192 -6.575 1.00 0.00 N ATOM 0 H ASN A 47 -11.898 21.533 -2.451 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.860 22.084 -5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.698 23.491 -4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.362 24.342 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.049 24.731 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.632 23.316 -6.556 1.00 0.00 H new ATOM 658 N GLN A 48 -9.488 22.687 -5.017 1.00 0.00 N ATOM 659 CA GLN A 48 -8.067 22.972 -4.858 1.00 0.00 C ATOM 660 C GLN A 48 -7.478 23.538 -6.146 1.00 0.00 C ATOM 661 O GLN A 48 -7.680 22.988 -7.228 1.00 0.00 O ATOM 662 CB GLN A 48 -7.313 21.704 -4.453 1.00 0.00 C ATOM 663 CG GLN A 48 -5.804 21.884 -4.400 1.00 0.00 C ATOM 664 CD GLN A 48 -5.362 22.772 -3.253 1.00 0.00 C ATOM 665 OE1 GLN A 48 -5.824 22.619 -2.121 1.00 0.00 O ATOM 666 NE2 GLN A 48 -4.463 23.706 -3.539 1.00 0.00 N ATOM 0 H GLN A 48 -9.754 22.377 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.958 23.718 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.666 21.378 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.551 20.909 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.329 20.908 -4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.460 22.314 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.107 23.797 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.128 24.332 -2.807 1.00 0.00 H new ATOM 675 N LYS A 49 -6.748 24.642 -6.022 1.00 0.00 N ATOM 676 CA LYS A 49 -6.129 25.284 -7.175 1.00 0.00 C ATOM 677 C LYS A 49 -4.615 25.369 -7.002 1.00 0.00 C ATOM 678 O LYS A 49 -4.063 26.450 -6.796 1.00 0.00 O ATOM 679 CB LYS A 49 -6.709 26.685 -7.378 1.00 0.00 C ATOM 680 CG LYS A 49 -8.181 26.686 -7.751 1.00 0.00 C ATOM 681 CD LYS A 49 -8.390 26.268 -9.197 1.00 0.00 C ATOM 682 CE LYS A 49 -8.313 27.460 -10.138 1.00 0.00 C ATOM 683 NZ LYS A 49 -8.315 27.040 -11.567 1.00 0.00 N ATOM 0 H LYS A 49 -6.571 25.111 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.344 24.678 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.575 27.261 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.144 27.193 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.724 26.008 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.596 27.682 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.636 25.533 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.361 25.784 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.158 28.124 -9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.408 28.030 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.261 27.881 -12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.495 26.427 -11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.190 26.518 -11.774 1.00 0.00 H new ATOM 697 N THR A 50 -3.949 24.221 -7.089 1.00 0.00 N ATOM 698 CA THR A 50 -2.500 24.167 -6.943 1.00 0.00 C ATOM 699 C THR A 50 -1.802 24.489 -8.259 1.00 0.00 C ATOM 700 O THR A 50 -2.400 24.390 -9.331 1.00 0.00 O ATOM 701 CB THR A 50 -2.037 22.781 -6.455 1.00 0.00 C ATOM 702 OG1 THR A 50 -0.634 22.806 -6.168 1.00 0.00 O ATOM 703 CG2 THR A 50 -2.326 21.714 -7.501 1.00 0.00 C ATOM 0 H THR A 50 -4.390 23.317 -7.260 1.00 0.00 H new ATOM 0 HA THR A 50 -2.229 24.916 -6.199 1.00 0.00 H new ATOM 0 HB THR A 50 -2.589 22.537 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.348 21.922 -5.857 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.990 20.744 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.398 21.677 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.797 21.956 -8.423 1.00 0.00 H new ATOM 711 N SER A 51 -0.533 24.873 -8.172 1.00 0.00 N ATOM 712 CA SER A 51 0.246 25.213 -9.357 1.00 0.00 C ATOM 713 C SER A 51 1.217 24.090 -9.710 1.00 0.00 C ATOM 714 O SER A 51 1.244 23.613 -10.844 1.00 0.00 O ATOM 715 CB SER A 51 1.016 26.516 -9.131 1.00 0.00 C ATOM 716 OG SER A 51 1.716 26.904 -10.301 1.00 0.00 O ATOM 0 H SER A 51 -0.022 24.957 -7.293 1.00 0.00 H new ATOM 0 HA SER A 51 -0.445 25.347 -10.189 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.323 27.305 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.719 26.389 -8.308 1.00 0.00 H new ATOM 0 HG SER A 51 2.199 27.740 -10.131 1.00 0.00 H new ATOM 722 N GLU A 52 2.012 23.674 -8.729 1.00 0.00 N ATOM 723 CA GLU A 52 2.985 22.608 -8.936 1.00 0.00 C ATOM 724 C GLU A 52 2.291 21.254 -9.056 1.00 0.00 C ATOM 725 O GLU A 52 1.603 20.813 -8.135 1.00 0.00 O ATOM 726 CB GLU A 52 3.993 22.577 -7.786 1.00 0.00 C ATOM 727 CG GLU A 52 5.034 23.681 -7.859 1.00 0.00 C ATOM 728 CD GLU A 52 6.230 23.300 -8.710 1.00 0.00 C ATOM 729 OE1 GLU A 52 6.992 22.402 -8.295 1.00 0.00 O ATOM 730 OE2 GLU A 52 6.403 23.900 -9.791 1.00 0.00 O ATOM 0 H GLU A 52 2.001 24.058 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 52 3.514 22.809 -9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.456 22.658 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.499 21.612 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.575 24.582 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.372 23.924 -6.852 1.00 0.00 H new ATOM 737 N VAL A 53 2.477 20.599 -10.197 1.00 0.00 N ATOM 738 CA VAL A 53 1.870 19.296 -10.438 1.00 0.00 C ATOM 739 C VAL A 53 2.101 18.356 -9.260 1.00 0.00 C ATOM 740 O VAL A 53 2.833 18.683 -8.327 1.00 0.00 O ATOM 741 CB VAL A 53 2.429 18.644 -11.718 1.00 0.00 C ATOM 742 CG1 VAL A 53 3.780 18.001 -11.443 1.00 0.00 C ATOM 743 CG2 VAL A 53 1.445 17.623 -12.269 1.00 0.00 C ATOM 0 H VAL A 53 3.044 20.950 -10.969 1.00 0.00 H new ATOM 0 HA VAL A 53 0.800 19.463 -10.562 1.00 0.00 H new ATOM 0 HB VAL A 53 2.570 19.421 -12.470 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.159 17.546 -12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.481 18.761 -11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.669 17.235 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.856 17.173 -13.173 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.270 16.847 -11.524 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.503 18.117 -12.506 1.00 0.00 H new ATOM 753 N ARG A 54 1.472 17.186 -9.311 1.00 0.00 N ATOM 754 CA ARG A 54 1.608 16.199 -8.248 1.00 0.00 C ATOM 755 C ARG A 54 1.651 14.785 -8.821 1.00 0.00 C ATOM 756 O ARG A 54 0.862 14.435 -9.700 1.00 0.00 O ATOM 757 CB ARG A 54 0.449 16.323 -7.256 1.00 0.00 C ATOM 758 CG ARG A 54 0.217 17.743 -6.765 1.00 0.00 C ATOM 759 CD ARG A 54 -1.249 17.990 -6.450 1.00 0.00 C ATOM 760 NE ARG A 54 -1.422 18.987 -5.396 1.00 0.00 N ATOM 761 CZ ARG A 54 -1.157 18.755 -4.115 1.00 0.00 C ATOM 762 NH1 ARG A 54 -0.708 17.568 -3.732 1.00 0.00 N ATOM 763 NH2 ARG A 54 -1.339 19.713 -3.215 1.00 0.00 N ATOM 0 H ARG A 54 0.863 16.899 -10.078 1.00 0.00 H new ATOM 0 HA ARG A 54 2.546 16.391 -7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.463 15.957 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.645 15.679 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.817 17.924 -5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.552 18.451 -7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.762 18.323 -7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.717 17.054 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.765 19.911 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.565 16.830 -4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.505 17.393 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.683 20.628 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.135 19.534 -2.232 1.00 0.00 H new ATOM 777 N LEU A 55 2.578 13.977 -8.318 1.00 0.00 N ATOM 778 CA LEU A 55 2.725 12.601 -8.780 1.00 0.00 C ATOM 779 C LEU A 55 2.530 11.617 -7.631 1.00 0.00 C ATOM 780 O LEU A 55 2.935 11.880 -6.499 1.00 0.00 O ATOM 781 CB LEU A 55 4.104 12.399 -9.411 1.00 0.00 C ATOM 782 CG LEU A 55 4.490 10.954 -9.732 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.079 10.595 -11.151 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.985 10.747 -9.538 1.00 0.00 C ATOM 0 H LEU A 55 3.239 14.251 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 55 1.957 12.412 -9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.148 12.979 -10.333 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.854 12.813 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 55 3.960 10.294 -9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.362 9.564 -11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.000 10.704 -11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.581 11.260 -11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.242 9.714 -9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.534 11.416 -10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.251 10.963 -8.503 1.00 0.00 H new ATOM 796 N TYR A 56 1.908 10.482 -7.931 1.00 0.00 N ATOM 797 CA TYR A 56 1.659 9.458 -6.923 1.00 0.00 C ATOM 798 C TYR A 56 2.438 8.184 -7.236 1.00 0.00 C ATOM 799 O TYR A 56 2.392 7.672 -8.355 1.00 0.00 O ATOM 800 CB TYR A 56 0.163 9.147 -6.841 1.00 0.00 C ATOM 801 CG TYR A 56 -0.627 10.176 -6.066 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.436 11.535 -6.281 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.565 9.790 -5.116 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.155 12.479 -5.575 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.291 10.727 -4.406 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.082 12.070 -4.639 1.00 0.00 C ATOM 807 OH TYR A 56 -2.801 13.006 -3.932 1.00 0.00 O ATOM 0 H TYR A 56 1.567 10.248 -8.863 1.00 0.00 H new ATOM 0 HA TYR A 56 1.997 9.842 -5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.241 9.076 -7.851 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.028 8.171 -6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.288 11.859 -7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.729 8.739 -4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.993 13.531 -5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.018 10.409 -3.673 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.411 12.552 -3.314 1.00 0.00 H new ATOM 817 N THR A 57 3.155 7.676 -6.238 1.00 0.00 N ATOM 818 CA THR A 57 3.945 6.463 -6.405 1.00 0.00 C ATOM 819 C THR A 57 3.385 5.322 -5.564 1.00 0.00 C ATOM 820 O THR A 57 2.786 5.548 -4.512 1.00 0.00 O ATOM 821 CB THR A 57 5.418 6.695 -6.019 1.00 0.00 C ATOM 822 OG1 THR A 57 5.951 7.799 -6.758 1.00 0.00 O ATOM 823 CG2 THR A 57 6.250 5.450 -6.287 1.00 0.00 C ATOM 0 H THR A 57 3.204 8.086 -5.306 1.00 0.00 H new ATOM 0 HA THR A 57 3.891 6.193 -7.460 1.00 0.00 H new ATOM 0 HB THR A 57 5.460 6.919 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.887 7.940 -6.505 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.286 5.638 -6.007 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.860 4.619 -5.700 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.200 5.200 -7.347 1.00 0.00 H new ATOM 831 N VAL A 58 3.583 4.094 -6.034 1.00 0.00 N ATOM 832 CA VAL A 58 3.098 2.917 -5.324 1.00 0.00 C ATOM 833 C VAL A 58 4.171 1.836 -5.256 1.00 0.00 C ATOM 834 O VAL A 58 4.757 1.463 -6.273 1.00 0.00 O ATOM 835 CB VAL A 58 1.840 2.334 -5.995 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.259 1.208 -5.154 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.807 3.426 -6.227 1.00 0.00 C ATOM 0 H VAL A 58 4.076 3.889 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 58 2.845 3.239 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 58 2.123 1.922 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.371 0.809 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.000 0.416 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.989 1.591 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.075 2.997 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.526 3.870 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.229 4.195 -6.874 1.00 0.00 H new ATOM 847 N ARG A 59 4.424 1.336 -4.051 1.00 0.00 N ATOM 848 CA ARG A 59 5.428 0.297 -3.850 1.00 0.00 C ATOM 849 C ARG A 59 4.805 -0.947 -3.223 1.00 0.00 C ATOM 850 O ARG A 59 3.813 -0.859 -2.499 1.00 0.00 O ATOM 851 CB ARG A 59 6.559 0.817 -2.961 1.00 0.00 C ATOM 852 CG ARG A 59 6.196 0.878 -1.486 1.00 0.00 C ATOM 853 CD ARG A 59 7.161 1.761 -0.711 1.00 0.00 C ATOM 854 NE ARG A 59 6.698 2.014 0.651 1.00 0.00 N ATOM 855 CZ ARG A 59 6.871 1.163 1.656 1.00 0.00 C ATOM 856 NH1 ARG A 59 7.495 0.011 1.453 1.00 0.00 N ATOM 857 NH2 ARG A 59 6.422 1.465 2.867 1.00 0.00 N ATOM 0 H ARG A 59 3.948 1.633 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 59 5.835 0.027 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.432 0.176 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.845 1.813 -3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.182 1.261 -1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.204 -0.128 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.141 1.285 -0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.284 2.709 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 59 6.215 2.892 0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.843 -0.223 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.627 -0.641 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.943 2.351 3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.555 0.811 3.638 1.00 0.00 H new ATOM 871 N TRP A 60 5.392 -2.103 -3.508 1.00 0.00 N ATOM 872 CA TRP A 60 4.895 -3.365 -2.973 1.00 0.00 C ATOM 873 C TRP A 60 6.008 -4.405 -2.907 1.00 0.00 C ATOM 874 O TRP A 60 6.672 -4.681 -3.906 1.00 0.00 O ATOM 875 CB TRP A 60 3.742 -3.888 -3.831 1.00 0.00 C ATOM 876 CG TRP A 60 4.133 -4.152 -5.254 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.493 -5.353 -5.796 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.205 -3.193 -6.315 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.785 -5.198 -7.129 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.615 -3.883 -7.473 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.961 -1.820 -6.400 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.786 -3.244 -8.698 1.00 0.00 C ATOM 883 CZ3 TRP A 60 4.132 -1.187 -7.617 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.540 -1.899 -8.753 1.00 0.00 C ATOM 0 H TRP A 60 6.213 -2.193 -4.107 1.00 0.00 H new ATOM 0 HA TRP A 60 4.532 -3.184 -1.961 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.359 -4.808 -3.390 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.928 -3.163 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.541 -6.287 -5.256 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.081 -5.942 -7.761 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.644 -1.263 -5.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.102 -3.791 -9.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.948 -0.126 -7.694 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.663 -1.376 -9.690 1.00 0.00 H new ATOM 895 N ARG A 61 6.206 -4.980 -1.725 1.00 0.00 N ATOM 896 CA ARG A 61 7.239 -5.989 -1.530 1.00 0.00 C ATOM 897 C ARG A 61 6.701 -7.171 -0.729 1.00 0.00 C ATOM 898 O ARG A 61 5.913 -6.998 0.202 1.00 0.00 O ATOM 899 CB ARG A 61 8.447 -5.381 -0.813 1.00 0.00 C ATOM 900 CG ARG A 61 9.715 -6.209 -0.948 1.00 0.00 C ATOM 901 CD ARG A 61 9.773 -7.312 0.097 1.00 0.00 C ATOM 902 NE ARG A 61 10.313 -6.836 1.367 1.00 0.00 N ATOM 903 CZ ARG A 61 9.558 -6.402 2.370 1.00 0.00 C ATOM 904 NH1 ARG A 61 8.237 -6.384 2.251 1.00 0.00 N ATOM 905 NH2 ARG A 61 10.123 -5.984 3.495 1.00 0.00 N ATOM 0 H ARG A 61 5.664 -4.764 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 61 7.550 -6.349 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.631 -4.383 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.210 -5.264 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.760 -6.648 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.586 -5.562 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.772 -7.713 0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.389 -8.131 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 61 11.325 -6.837 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.798 -6.704 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.660 -6.050 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.138 -5.996 3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.542 -5.651 4.264 1.00 0.00 H new ATOM 919 N THR A 62 7.131 -8.374 -1.096 1.00 0.00 N ATOM 920 CA THR A 62 6.692 -9.584 -0.414 1.00 0.00 C ATOM 921 C THR A 62 6.593 -9.363 1.091 1.00 0.00 C ATOM 922 O THR A 62 7.480 -8.763 1.699 1.00 0.00 O ATOM 923 CB THR A 62 7.648 -10.761 -0.687 1.00 0.00 C ATOM 924 OG1 THR A 62 9.006 -10.314 -0.622 1.00 0.00 O ATOM 925 CG2 THR A 62 7.374 -11.375 -2.051 1.00 0.00 C ATOM 0 H THR A 62 7.784 -8.536 -1.863 1.00 0.00 H new ATOM 0 HA THR A 62 5.705 -9.828 -0.808 1.00 0.00 H new ATOM 0 HB THR A 62 7.480 -11.522 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.607 -11.068 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.061 -12.204 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.348 -11.741 -2.086 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.516 -10.621 -2.825 1.00 0.00 H new ATOM 933 N SER A 63 5.510 -9.850 1.687 1.00 0.00 N ATOM 934 CA SER A 63 5.294 -9.702 3.121 1.00 0.00 C ATOM 935 C SER A 63 5.908 -10.870 3.886 1.00 0.00 C ATOM 936 O SER A 63 5.710 -12.032 3.532 1.00 0.00 O ATOM 937 CB SER A 63 3.798 -9.608 3.427 1.00 0.00 C ATOM 938 OG SER A 63 3.573 -9.386 4.808 1.00 0.00 O ATOM 0 H SER A 63 4.768 -10.351 1.199 1.00 0.00 H new ATOM 0 HA SER A 63 5.782 -8.782 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.356 -8.797 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.302 -10.528 3.118 1.00 0.00 H new ATOM 0 HG SER A 63 3.396 -10.241 5.252 1.00 0.00 H new ATOM 944 N PHE A 64 6.656 -10.553 4.938 1.00 0.00 N ATOM 945 CA PHE A 64 7.301 -11.575 5.754 1.00 0.00 C ATOM 946 C PHE A 64 8.141 -12.510 4.890 1.00 0.00 C ATOM 947 O PHE A 64 8.069 -13.731 5.027 1.00 0.00 O ATOM 948 CB PHE A 64 6.252 -12.379 6.525 1.00 0.00 C ATOM 949 CG PHE A 64 5.256 -11.523 7.253 1.00 0.00 C ATOM 950 CD1 PHE A 64 5.654 -10.721 8.311 1.00 0.00 C ATOM 951 CD2 PHE A 64 3.921 -11.520 6.881 1.00 0.00 C ATOM 952 CE1 PHE A 64 4.739 -9.932 8.983 1.00 0.00 C ATOM 953 CE2 PHE A 64 3.002 -10.733 7.549 1.00 0.00 C ATOM 954 CZ PHE A 64 3.412 -9.938 8.601 1.00 0.00 C ATOM 0 H PHE A 64 6.830 -9.596 5.245 1.00 0.00 H new ATOM 0 HA PHE A 64 7.960 -11.075 6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.721 -13.029 5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.757 -13.025 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.691 -10.712 8.614 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.595 -12.140 6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.062 -9.312 9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.965 -10.740 7.249 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.696 -9.322 9.124 1.00 0.00 H new ATOM 964 N SER A 65 8.938 -11.927 4.000 1.00 0.00 N ATOM 965 CA SER A 65 9.790 -12.707 3.110 1.00 0.00 C ATOM 966 C SER A 65 11.263 -12.388 3.349 1.00 0.00 C ATOM 967 O SER A 65 11.604 -11.315 3.845 1.00 0.00 O ATOM 968 CB SER A 65 9.427 -12.430 1.650 1.00 0.00 C ATOM 969 OG SER A 65 8.423 -13.322 1.196 1.00 0.00 O ATOM 0 H SER A 65 9.011 -10.917 3.876 1.00 0.00 H new ATOM 0 HA SER A 65 9.626 -13.763 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.078 -11.402 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.315 -12.529 1.026 1.00 0.00 H new ATOM 0 HG SER A 65 8.531 -13.474 0.234 1.00 0.00 H new ATOM 975 N ALA A 66 12.131 -13.329 2.993 1.00 0.00 N ATOM 976 CA ALA A 66 13.567 -13.149 3.167 1.00 0.00 C ATOM 977 C ALA A 66 14.072 -11.956 2.362 1.00 0.00 C ATOM 978 O ALA A 66 13.307 -11.312 1.643 1.00 0.00 O ATOM 979 CB ALA A 66 14.310 -14.413 2.763 1.00 0.00 C ATOM 0 H ALA A 66 11.865 -14.224 2.582 1.00 0.00 H new ATOM 0 HA ALA A 66 13.758 -12.950 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.381 -14.264 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.978 -15.245 3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.104 -14.637 1.716 1.00 0.00 H new ATOM 985 N SER A 67 15.363 -11.667 2.487 1.00 0.00 N ATOM 986 CA SER A 67 15.968 -10.548 1.774 1.00 0.00 C ATOM 987 C SER A 67 15.366 -10.403 0.380 1.00 0.00 C ATOM 988 O SER A 67 15.781 -11.079 -0.561 1.00 0.00 O ATOM 989 CB SER A 67 17.483 -10.742 1.671 1.00 0.00 C ATOM 990 OG SER A 67 18.116 -9.565 1.200 1.00 0.00 O ATOM 0 H SER A 67 16.010 -12.192 3.075 1.00 0.00 H new ATOM 0 HA SER A 67 15.763 -9.637 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 67 17.886 -11.010 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.702 -11.571 0.998 1.00 0.00 H new ATOM 0 HG SER A 67 19.083 -9.714 1.144 1.00 0.00 H new ATOM 996 N ALA A 68 14.385 -9.515 0.256 1.00 0.00 N ATOM 997 CA ALA A 68 13.726 -9.279 -1.023 1.00 0.00 C ATOM 998 C ALA A 68 13.927 -7.840 -1.486 1.00 0.00 C ATOM 999 O ALA A 68 14.560 -7.037 -0.798 1.00 0.00 O ATOM 1000 CB ALA A 68 12.243 -9.600 -0.920 1.00 0.00 C ATOM 0 H ALA A 68 14.029 -8.947 1.025 1.00 0.00 H new ATOM 0 HA ALA A 68 14.178 -9.938 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.764 -9.419 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.116 -10.646 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.785 -8.965 -0.162 1.00 0.00 H new ATOM 1006 N LYS A 69 13.386 -7.518 -2.656 1.00 0.00 N ATOM 1007 CA LYS A 69 13.505 -6.176 -3.212 1.00 0.00 C ATOM 1008 C LYS A 69 12.140 -5.499 -3.296 1.00 0.00 C ATOM 1009 O LYS A 69 11.138 -6.139 -3.618 1.00 0.00 O ATOM 1010 CB LYS A 69 14.145 -6.231 -4.601 1.00 0.00 C ATOM 1011 CG LYS A 69 13.397 -7.119 -5.580 1.00 0.00 C ATOM 1012 CD LYS A 69 12.352 -6.335 -6.357 1.00 0.00 C ATOM 1013 CE LYS A 69 12.933 -5.744 -7.632 1.00 0.00 C ATOM 1014 NZ LYS A 69 12.059 -4.679 -8.198 1.00 0.00 N ATOM 0 H LYS A 69 12.860 -8.170 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 69 14.142 -5.591 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.199 -5.221 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.169 -6.591 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.104 -7.573 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.915 -7.933 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.516 -6.989 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.956 -5.535 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.920 -5.331 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.067 -6.534 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.597 -4.121 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.239 -5.115 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.731 -4.056 -7.433 1.00 0.00 H new ATOM 1028 N TYR A 70 12.109 -4.203 -3.007 1.00 0.00 N ATOM 1029 CA TYR A 70 10.867 -3.440 -3.049 1.00 0.00 C ATOM 1030 C TYR A 70 10.632 -2.857 -4.439 1.00 0.00 C ATOM 1031 O TYR A 70 11.481 -2.147 -4.979 1.00 0.00 O ATOM 1032 CB TYR A 70 10.898 -2.317 -2.011 1.00 0.00 C ATOM 1033 CG TYR A 70 10.346 -2.723 -0.663 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.090 -3.512 0.205 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.081 -2.315 -0.258 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.589 -3.885 1.437 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.573 -2.683 0.973 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.330 -3.468 1.817 1.00 0.00 C ATOM 1039 OH TYR A 70 8.828 -3.837 3.044 1.00 0.00 O ATOM 0 H TYR A 70 12.930 -3.659 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 70 10.046 -4.118 -2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.926 -1.978 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.326 -1.469 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.077 -3.839 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.485 -1.700 -0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.180 -4.500 2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.588 -2.357 1.273 1.00 0.00 H new ATOM 0 HH TYR A 70 7.856 -3.948 2.980 1.00 0.00 H new ATOM 1049 N LYS A 71 9.474 -3.163 -5.014 1.00 0.00 N ATOM 1050 CA LYS A 71 9.124 -2.669 -6.341 1.00 0.00 C ATOM 1051 C LYS A 71 8.153 -1.497 -6.246 1.00 0.00 C ATOM 1052 O LYS A 71 7.298 -1.457 -5.362 1.00 0.00 O ATOM 1053 CB LYS A 71 8.506 -3.791 -7.178 1.00 0.00 C ATOM 1054 CG LYS A 71 8.844 -3.703 -8.656 1.00 0.00 C ATOM 1055 CD LYS A 71 8.326 -4.910 -9.420 1.00 0.00 C ATOM 1056 CE LYS A 71 8.920 -4.983 -10.818 1.00 0.00 C ATOM 1057 NZ LYS A 71 10.180 -5.777 -10.844 1.00 0.00 N ATOM 0 H LYS A 71 8.761 -3.751 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 71 10.037 -2.323 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.848 -4.751 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.423 -3.767 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.413 -2.794 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.925 -3.630 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.570 -5.820 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.239 -4.860 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.195 -5.430 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.118 -3.975 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.302 -6.204 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.987 -5.154 -10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.132 -6.528 -10.126 1.00 0.00 H new ATOM 1071 N SER A 72 8.290 -0.545 -7.164 1.00 0.00 N ATOM 1072 CA SER A 72 7.426 0.630 -7.182 1.00 0.00 C ATOM 1073 C SER A 72 7.489 1.329 -8.536 1.00 0.00 C ATOM 1074 O SER A 72 8.484 1.227 -9.253 1.00 0.00 O ATOM 1075 CB SER A 72 7.829 1.603 -6.073 1.00 0.00 C ATOM 1076 OG SER A 72 7.557 2.943 -6.446 1.00 0.00 O ATOM 0 H SER A 72 8.991 -0.564 -7.905 1.00 0.00 H new ATOM 0 HA SER A 72 6.401 0.300 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.289 1.360 -5.158 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.891 1.491 -5.855 1.00 0.00 H new ATOM 0 HG SER A 72 8.055 3.553 -5.862 1.00 0.00 H new ATOM 1082 N GLU A 73 6.419 2.040 -8.878 1.00 0.00 N ATOM 1083 CA GLU A 73 6.352 2.756 -10.147 1.00 0.00 C ATOM 1084 C GLU A 73 5.446 3.979 -10.034 1.00 0.00 C ATOM 1085 O GLU A 73 4.768 4.172 -9.025 1.00 0.00 O ATOM 1086 CB GLU A 73 5.842 1.831 -11.254 1.00 0.00 C ATOM 1087 CG GLU A 73 4.327 1.765 -11.343 1.00 0.00 C ATOM 1088 CD GLU A 73 3.846 1.061 -12.596 1.00 0.00 C ATOM 1089 OE1 GLU A 73 4.355 -0.041 -12.891 1.00 0.00 O ATOM 1090 OE2 GLU A 73 2.960 1.612 -13.283 1.00 0.00 O ATOM 0 H GLU A 73 5.588 2.136 -8.295 1.00 0.00 H new ATOM 0 HA GLU A 73 7.358 3.092 -10.399 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.239 2.170 -12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.232 0.827 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.938 1.246 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.921 2.776 -11.321 1.00 0.00 H new ATOM 1097 N ASP A 74 5.442 4.803 -11.076 1.00 0.00 N ATOM 1098 CA ASP A 74 4.621 6.008 -11.096 1.00 0.00 C ATOM 1099 C ASP A 74 3.225 5.705 -11.631 1.00 0.00 C ATOM 1100 O ASP A 74 3.055 4.860 -12.511 1.00 0.00 O ATOM 1101 CB ASP A 74 5.284 7.090 -11.949 1.00 0.00 C ATOM 1102 CG ASP A 74 5.251 6.761 -13.429 1.00 0.00 C ATOM 1103 OD1 ASP A 74 6.077 5.936 -13.872 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.399 7.329 -14.143 1.00 0.00 O ATOM 0 H ASP A 74 5.999 4.658 -11.918 1.00 0.00 H new ATOM 0 HA ASP A 74 4.528 6.371 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.780 8.042 -11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.319 7.216 -11.631 1.00 0.00 H new ATOM 1109 N THR A 75 2.226 6.399 -11.093 1.00 0.00 N ATOM 1110 CA THR A 75 0.845 6.203 -11.515 1.00 0.00 C ATOM 1111 C THR A 75 0.008 7.450 -11.254 1.00 0.00 C ATOM 1112 O THR A 75 -0.287 7.783 -10.106 1.00 0.00 O ATOM 1113 CB THR A 75 0.201 5.005 -10.791 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.114 4.770 -11.307 1.00 0.00 O ATOM 1115 CG2 THR A 75 0.126 5.256 -9.292 1.00 0.00 C ATOM 0 H THR A 75 2.348 7.102 -10.364 1.00 0.00 H new ATOM 0 HA THR A 75 0.867 6.002 -12.586 1.00 0.00 H new ATOM 0 HB THR A 75 0.822 4.126 -10.966 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.516 4.006 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.332 4.397 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.131 5.406 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.475 6.145 -9.102 1.00 0.00 H new ATOM 1123 N THR A 76 -0.372 8.137 -12.327 1.00 0.00 N ATOM 1124 CA THR A 76 -1.175 9.348 -12.213 1.00 0.00 C ATOM 1125 C THR A 76 -2.647 9.014 -11.998 1.00 0.00 C ATOM 1126 O THR A 76 -3.529 9.650 -12.575 1.00 0.00 O ATOM 1127 CB THR A 76 -1.040 10.231 -13.468 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.328 9.463 -14.641 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.361 10.815 -13.570 1.00 0.00 C ATOM 0 H THR A 76 -0.137 7.875 -13.284 1.00 0.00 H new ATOM 0 HA THR A 76 -0.799 9.896 -11.349 1.00 0.00 H new ATOM 0 HB THR A 76 -1.754 11.051 -13.387 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.242 10.032 -15.434 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.433 11.435 -14.464 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.567 11.423 -12.689 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.089 10.006 -13.630 1.00 0.00 H new ATOM 1137 N SER A 77 -2.905 8.012 -11.163 1.00 0.00 N ATOM 1138 CA SER A 77 -4.271 7.591 -10.874 1.00 0.00 C ATOM 1139 C SER A 77 -4.420 7.200 -9.406 1.00 0.00 C ATOM 1140 O SER A 77 -3.455 6.790 -8.760 1.00 0.00 O ATOM 1141 CB SER A 77 -4.666 6.415 -11.769 1.00 0.00 C ATOM 1142 OG SER A 77 -4.567 6.762 -13.139 1.00 0.00 O ATOM 0 H SER A 77 -2.186 7.477 -10.675 1.00 0.00 H new ATOM 0 HA SER A 77 -4.934 8.432 -11.078 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.021 5.562 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.687 6.107 -11.541 1.00 0.00 H new ATOM 0 HG SER A 77 -4.823 5.993 -13.690 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.635 7.331 -8.886 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.913 6.992 -7.495 1.00 0.00 C ATOM 1150 C LEU A 78 -6.145 5.492 -7.336 1.00 0.00 C ATOM 1151 O LEU A 78 -6.717 5.045 -6.342 1.00 0.00 O ATOM 1152 CB LEU A 78 -7.134 7.764 -6.995 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.969 9.280 -6.879 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.320 9.952 -6.690 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -6.033 9.628 -5.730 1.00 0.00 C ATOM 0 H LEU A 78 -6.444 7.670 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.045 7.272 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.968 7.560 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.410 7.373 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.529 9.650 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.182 11.030 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.959 9.731 -7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.789 9.577 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.927 10.711 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.445 9.244 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.056 9.178 -5.908 1.00 0.00 H new ATOM 1167 N SER A 79 -5.695 4.721 -8.320 1.00 0.00 N ATOM 1168 CA SER A 79 -5.854 3.272 -8.291 1.00 0.00 C ATOM 1169 C SER A 79 -4.761 2.588 -9.105 1.00 0.00 C ATOM 1170 O SER A 79 -4.632 2.816 -10.308 1.00 0.00 O ATOM 1171 CB SER A 79 -7.230 2.878 -8.832 1.00 0.00 C ATOM 1172 OG SER A 79 -7.372 3.258 -10.190 1.00 0.00 O ATOM 0 H SER A 79 -5.217 5.076 -9.148 1.00 0.00 H new ATOM 0 HA SER A 79 -5.770 2.943 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.367 1.801 -8.736 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.009 3.353 -8.235 1.00 0.00 H new ATOM 0 HG SER A 79 -6.504 3.194 -10.640 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.975 1.748 -8.440 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.890 1.032 -9.100 1.00 0.00 C ATOM 1180 C TYR A 80 -3.204 -0.457 -9.204 1.00 0.00 C ATOM 1181 O TYR A 80 -3.928 -1.011 -8.376 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.579 1.236 -8.339 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.368 0.688 -9.060 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.340 1.471 -9.964 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.067 -0.613 -8.839 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.446 0.975 -10.626 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.173 -1.117 -9.496 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.859 -0.320 -10.388 1.00 0.00 C ATOM 1189 OH TYR A 80 2.960 -0.819 -11.045 1.00 0.00 O ATOM 0 H TYR A 80 -4.069 1.546 -7.445 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.784 1.434 -10.108 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.434 2.302 -8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.657 0.758 -7.363 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.020 2.485 -10.152 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.468 -1.241 -8.142 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.984 1.597 -11.326 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.499 -2.130 -9.312 1.00 0.00 H new ATOM 0 HH TYR A 80 3.328 -1.574 -10.540 1.00 0.00 H new ATOM 1199 N THR A 81 -2.654 -1.101 -10.229 1.00 0.00 N ATOM 1200 CA THR A 81 -2.875 -2.526 -10.444 1.00 0.00 C ATOM 1201 C THR A 81 -1.553 -3.283 -10.510 1.00 0.00 C ATOM 1202 O THR A 81 -0.871 -3.270 -11.534 1.00 0.00 O ATOM 1203 CB THR A 81 -3.667 -2.783 -11.740 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.762 -1.865 -11.835 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.190 -4.210 -11.780 1.00 0.00 C ATOM 0 H THR A 81 -2.052 -0.658 -10.923 1.00 0.00 H new ATOM 0 HA THR A 81 -3.456 -2.888 -9.595 1.00 0.00 H new ATOM 0 HB THR A 81 -2.995 -2.635 -12.586 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.259 -2.034 -12.662 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.746 -4.368 -12.704 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.352 -4.906 -11.737 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.847 -4.381 -10.927 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.199 -3.943 -9.413 1.00 0.00 N ATOM 1214 CA ALA A 82 0.040 -4.709 -9.348 1.00 0.00 C ATOM 1215 C ALA A 82 -0.088 -6.025 -10.107 1.00 0.00 C ATOM 1216 O ALA A 82 -0.661 -6.992 -9.603 1.00 0.00 O ATOM 1217 CB ALA A 82 0.425 -4.968 -7.900 1.00 0.00 C ATOM 0 H ALA A 82 -1.753 -3.963 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 82 0.827 -4.122 -9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.352 -5.541 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.567 -4.018 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.368 -5.532 -7.408 1.00 0.00 H new ATOM 1223 N THR A 83 0.448 -6.057 -11.324 1.00 0.00 N ATOM 1224 CA THR A 83 0.392 -7.254 -12.153 1.00 0.00 C ATOM 1225 C THR A 83 1.739 -7.966 -12.181 1.00 0.00 C ATOM 1226 O THR A 83 2.790 -7.330 -12.119 1.00 0.00 O ATOM 1227 CB THR A 83 -0.029 -6.918 -13.596 1.00 0.00 C ATOM 1228 OG1 THR A 83 0.956 -6.080 -14.211 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.380 -6.220 -13.617 1.00 0.00 C ATOM 0 H THR A 83 0.926 -5.267 -11.757 1.00 0.00 H new ATOM 0 HA THR A 83 -0.355 -7.912 -11.709 1.00 0.00 H new ATOM 0 HB THR A 83 -0.111 -7.851 -14.154 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.682 -5.872 -15.129 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.656 -5.993 -14.647 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.133 -6.872 -13.175 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.320 -5.294 -13.045 1.00 0.00 H new ATOM 1237 N GLY A 84 1.700 -9.292 -12.276 1.00 0.00 N ATOM 1238 CA GLY A 84 2.925 -10.070 -12.312 1.00 0.00 C ATOM 1239 C GLY A 84 3.460 -10.373 -10.926 1.00 0.00 C ATOM 1240 O GLY A 84 4.660 -10.253 -10.675 1.00 0.00 O ATOM 0 H GLY A 84 0.842 -9.841 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.742 -11.006 -12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.681 -9.526 -12.879 1.00 0.00 H new ATOM 1244 N LEU A 85 2.568 -10.766 -10.023 1.00 0.00 N ATOM 1245 CA LEU A 85 2.957 -11.086 -8.654 1.00 0.00 C ATOM 1246 C LEU A 85 2.944 -12.593 -8.422 1.00 0.00 C ATOM 1247 O LEU A 85 2.674 -13.371 -9.338 1.00 0.00 O ATOM 1248 CB LEU A 85 2.017 -10.398 -7.662 1.00 0.00 C ATOM 1249 CG LEU A 85 1.440 -9.053 -8.106 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.176 -8.730 -7.325 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.472 -7.948 -7.934 1.00 0.00 C ATOM 0 H LEU A 85 1.572 -10.871 -10.214 1.00 0.00 H new ATOM 0 HA LEU A 85 3.972 -10.722 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.189 -11.074 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.555 -10.249 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 85 1.182 -9.121 -9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.220 -7.769 -7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.568 -9.508 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.408 -8.681 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.045 -6.998 -8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.761 -7.880 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.350 -8.173 -8.539 1.00 0.00 H new ATOM 1263 N LYS A 86 3.235 -13.000 -7.191 1.00 0.00 N ATOM 1264 CA LYS A 86 3.254 -14.414 -6.837 1.00 0.00 C ATOM 1265 C LYS A 86 1.912 -14.847 -6.256 1.00 0.00 C ATOM 1266 O LYS A 86 1.300 -14.144 -5.452 1.00 0.00 O ATOM 1267 CB LYS A 86 4.372 -14.694 -5.830 1.00 0.00 C ATOM 1268 CG LYS A 86 4.515 -16.163 -5.472 1.00 0.00 C ATOM 1269 CD LYS A 86 5.415 -16.358 -4.264 1.00 0.00 C ATOM 1270 CE LYS A 86 6.852 -15.963 -4.569 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.827 -16.755 -3.769 1.00 0.00 N ATOM 0 H LYS A 86 3.461 -12.370 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 86 3.439 -14.988 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.316 -14.335 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.181 -14.124 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.532 -16.585 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.924 -16.708 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.042 -15.762 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.382 -17.401 -3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.051 -16.108 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.989 -14.902 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.795 -16.456 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.654 -16.597 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.714 -17.766 -3.986 1.00 0.00 H new ATOM 1285 N PRO A 87 1.442 -16.034 -6.669 1.00 0.00 N ATOM 1286 CA PRO A 87 0.168 -16.588 -6.201 1.00 0.00 C ATOM 1287 C PRO A 87 0.224 -17.010 -4.737 1.00 0.00 C ATOM 1288 O PRO A 87 1.302 -17.203 -4.177 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.041 -17.807 -7.101 1.00 0.00 C ATOM 1290 CG PRO A 87 1.331 -18.203 -7.528 1.00 0.00 C ATOM 1291 CD PRO A 87 2.118 -16.925 -7.626 1.00 0.00 C ATOM 0 HA PRO A 87 -0.639 -15.858 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.537 -18.615 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.668 -17.563 -7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.782 -18.885 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.307 -18.721 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.165 -17.077 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.099 -16.518 -8.637 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.946 -17.152 -4.122 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.030 -17.552 -2.722 1.00 0.00 C ATOM 1301 C ASN A 88 -0.001 -16.804 -1.880 1.00 0.00 C ATOM 1302 O ASN A 88 0.560 -17.353 -0.931 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.816 -19.061 -2.587 1.00 0.00 C ATOM 1304 CG ASN A 88 0.302 -19.568 -3.477 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.193 -19.546 -4.703 1.00 0.00 O ATOM 1306 ND2 ASN A 88 1.385 -20.029 -2.862 1.00 0.00 N ATOM 0 H ASN A 88 -1.848 -16.996 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.025 -17.299 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.588 -19.301 -1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.741 -19.580 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.170 -20.384 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.432 -20.028 -1.843 1.00 0.00 H new ATOM 1313 N THR A 89 0.243 -15.545 -2.233 1.00 0.00 N ATOM 1314 CA THR A 89 1.204 -14.721 -1.511 1.00 0.00 C ATOM 1315 C THR A 89 0.672 -13.308 -1.306 1.00 0.00 C ATOM 1316 O THR A 89 0.069 -12.725 -2.207 1.00 0.00 O ATOM 1317 CB THR A 89 2.551 -14.648 -2.254 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.871 -15.926 -2.816 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.664 -14.208 -1.316 1.00 0.00 C ATOM 0 H THR A 89 -0.212 -15.074 -3.015 1.00 0.00 H new ATOM 0 HA THR A 89 1.358 -15.192 -0.540 1.00 0.00 H new ATOM 0 HB THR A 89 2.460 -13.913 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.284 -16.104 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.605 -14.164 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.432 -13.222 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.754 -14.922 -0.497 1.00 0.00 H new ATOM 1327 N MET A 90 0.900 -12.761 -0.116 1.00 0.00 N ATOM 1328 CA MET A 90 0.444 -11.414 0.205 1.00 0.00 C ATOM 1329 C MET A 90 1.628 -10.475 0.414 1.00 0.00 C ATOM 1330 O MET A 90 2.696 -10.897 0.859 1.00 0.00 O ATOM 1331 CB MET A 90 -0.432 -11.434 1.459 1.00 0.00 C ATOM 1332 CG MET A 90 -0.802 -10.049 1.965 1.00 0.00 C ATOM 1333 SD MET A 90 -1.795 -10.101 3.469 1.00 0.00 S ATOM 1334 CE MET A 90 -0.574 -10.645 4.661 1.00 0.00 C ATOM 0 H MET A 90 1.397 -13.230 0.641 1.00 0.00 H new ATOM 0 HA MET A 90 -0.145 -11.047 -0.635 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.345 -11.990 1.245 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.091 -11.973 2.249 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.109 -9.481 2.155 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.353 -9.518 1.189 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.949 -10.474 5.670 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.379 -11.708 4.522 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.350 -10.085 4.517 1.00 0.00 H new ATOM 1344 N TYR A 91 1.432 -9.202 0.090 1.00 0.00 N ATOM 1345 CA TYR A 91 2.485 -8.204 0.239 1.00 0.00 C ATOM 1346 C TYR A 91 1.938 -6.925 0.864 1.00 0.00 C ATOM 1347 O TYR A 91 0.752 -6.833 1.179 1.00 0.00 O ATOM 1348 CB TYR A 91 3.117 -7.892 -1.118 1.00 0.00 C ATOM 1349 CG TYR A 91 2.899 -8.974 -2.151 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.339 -10.273 -1.929 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.253 -8.698 -3.350 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.142 -11.265 -2.870 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.051 -9.684 -4.296 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.497 -10.966 -4.051 1.00 0.00 C ATOM 1355 OH TYR A 91 2.299 -11.951 -4.992 1.00 0.00 O ATOM 0 H TYR A 91 0.554 -8.836 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 91 3.248 -8.614 0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.706 -6.955 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.188 -7.740 -0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.844 -10.511 -1.005 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.903 -7.695 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.491 -12.269 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.547 -9.452 -5.222 1.00 0.00 H new ATOM 0 HH TYR A 91 1.713 -12.644 -4.622 1.00 0.00 H new ATOM 1365 N GLU A 92 2.813 -5.939 1.041 1.00 0.00 N ATOM 1366 CA GLU A 92 2.418 -4.664 1.628 1.00 0.00 C ATOM 1367 C GLU A 92 2.471 -3.547 0.590 1.00 0.00 C ATOM 1368 O GLU A 92 3.498 -3.329 -0.052 1.00 0.00 O ATOM 1369 CB GLU A 92 3.326 -4.320 2.811 1.00 0.00 C ATOM 1370 CG GLU A 92 4.475 -3.395 2.447 1.00 0.00 C ATOM 1371 CD GLU A 92 5.436 -3.177 3.599 1.00 0.00 C ATOM 1372 OE1 GLU A 92 6.150 -4.134 3.967 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.475 -2.049 4.134 1.00 0.00 O ATOM 0 H GLU A 92 3.799 -5.999 0.786 1.00 0.00 H new ATOM 0 HA GLU A 92 1.391 -4.758 1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.728 -3.852 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.731 -5.242 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.018 -3.813 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.075 -2.433 2.126 1.00 0.00 H new ATOM 1380 N PHE A 93 1.355 -2.842 0.432 1.00 0.00 N ATOM 1381 CA PHE A 93 1.273 -1.748 -0.529 1.00 0.00 C ATOM 1382 C PHE A 93 1.136 -0.407 0.185 1.00 0.00 C ATOM 1383 O PHE A 93 0.649 -0.339 1.313 1.00 0.00 O ATOM 1384 CB PHE A 93 0.088 -1.959 -1.474 1.00 0.00 C ATOM 1385 CG PHE A 93 0.207 -3.196 -2.318 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.066 -4.445 -1.783 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.592 -3.110 -3.646 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.043 -5.584 -2.557 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.703 -4.246 -4.426 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.427 -5.485 -3.881 1.00 0.00 C ATOM 0 H PHE A 93 0.496 -3.009 0.956 1.00 0.00 H new ATOM 0 HA PHE A 93 2.195 -1.738 -1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.829 -2.016 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.005 -1.091 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.367 -4.529 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.808 -2.144 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.172 -6.551 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.005 -4.165 -5.460 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.511 -6.374 -4.488 1.00 0.00 H new ATOM 1400 N SER A 94 1.570 0.659 -0.482 1.00 0.00 N ATOM 1401 CA SER A 94 1.500 1.998 0.090 1.00 0.00 C ATOM 1402 C SER A 94 1.419 3.054 -1.009 1.00 0.00 C ATOM 1403 O SER A 94 1.595 2.753 -2.189 1.00 0.00 O ATOM 1404 CB SER A 94 2.719 2.261 0.977 1.00 0.00 C ATOM 1405 OG SER A 94 3.920 2.184 0.229 1.00 0.00 O ATOM 0 H SER A 94 1.973 0.621 -1.418 1.00 0.00 H new ATOM 0 HA SER A 94 0.597 2.061 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.634 3.247 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.745 1.534 1.789 1.00 0.00 H new ATOM 0 HG SER A 94 4.136 3.068 -0.134 1.00 0.00 H new ATOM 1411 N VAL A 95 1.151 4.294 -0.611 1.00 0.00 N ATOM 1412 CA VAL A 95 1.047 5.396 -1.560 1.00 0.00 C ATOM 1413 C VAL A 95 1.706 6.656 -1.012 1.00 0.00 C ATOM 1414 O VAL A 95 1.819 6.833 0.200 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.423 5.705 -1.902 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.506 6.745 -3.009 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.156 4.433 -2.299 1.00 0.00 C ATOM 0 H VAL A 95 1.002 4.560 0.362 1.00 0.00 H new ATOM 0 HA VAL A 95 1.565 5.084 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.906 6.114 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.552 6.951 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.018 7.664 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.007 6.367 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.193 4.670 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.674 3.993 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.127 3.723 -1.472 1.00 0.00 H new ATOM 1427 N MET A 96 2.139 7.531 -1.915 1.00 0.00 N ATOM 1428 CA MET A 96 2.785 8.778 -1.521 1.00 0.00 C ATOM 1429 C MET A 96 2.612 9.844 -2.598 1.00 0.00 C ATOM 1430 O MET A 96 1.936 9.621 -3.603 1.00 0.00 O ATOM 1431 CB MET A 96 4.273 8.543 -1.254 1.00 0.00 C ATOM 1432 CG MET A 96 5.019 7.957 -2.443 1.00 0.00 C ATOM 1433 SD MET A 96 6.800 7.879 -2.175 1.00 0.00 S ATOM 1434 CE MET A 96 7.217 9.621 -2.162 1.00 0.00 C ATOM 0 H MET A 96 2.054 7.399 -2.923 1.00 0.00 H new ATOM 0 HA MET A 96 2.310 9.131 -0.606 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.737 9.489 -0.974 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.379 7.872 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.642 6.955 -2.646 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.815 8.559 -3.328 1.00 0.00 H new ATOM 0 HE1 MET A 96 8.123 9.774 -1.576 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.384 9.963 -3.183 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.398 10.188 -1.719 1.00 0.00 H new ATOM 1444 N VAL A 97 3.226 11.003 -2.382 1.00 0.00 N ATOM 1445 CA VAL A 97 3.139 12.103 -3.335 1.00 0.00 C ATOM 1446 C VAL A 97 4.429 12.916 -3.353 1.00 0.00 C ATOM 1447 O VAL A 97 5.055 13.133 -2.315 1.00 0.00 O ATOM 1448 CB VAL A 97 1.960 13.038 -3.008 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.074 13.563 -1.585 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.897 14.184 -4.005 1.00 0.00 C ATOM 0 H VAL A 97 3.789 11.204 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 97 2.978 11.659 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 97 1.034 12.468 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.232 14.222 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.066 12.726 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.006 14.118 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.058 14.835 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.824 14.755 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.764 13.785 -5.010 1.00 0.00 H new ATOM 1460 N THR A 98 4.821 13.366 -4.541 1.00 0.00 N ATOM 1461 CA THR A 98 6.037 14.155 -4.696 1.00 0.00 C ATOM 1462 C THR A 98 5.731 15.523 -5.296 1.00 0.00 C ATOM 1463 O THR A 98 5.650 15.674 -6.515 1.00 0.00 O ATOM 1464 CB THR A 98 7.065 13.434 -5.587 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.380 12.152 -5.034 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.337 14.259 -5.723 1.00 0.00 C ATOM 0 H THR A 98 4.314 13.197 -5.410 1.00 0.00 H new ATOM 0 HA THR A 98 6.459 14.284 -3.700 1.00 0.00 H new ATOM 0 HB THR A 98 6.627 13.305 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.033 11.700 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.048 13.729 -6.357 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.099 15.223 -6.172 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.776 14.416 -4.738 1.00 0.00 H new ATOM 1474 N LYS A 99 5.563 16.519 -4.432 1.00 0.00 N ATOM 1475 CA LYS A 99 5.268 17.876 -4.876 1.00 0.00 C ATOM 1476 C LYS A 99 6.260 18.870 -4.281 1.00 0.00 C ATOM 1477 O LYS A 99 6.779 18.663 -3.185 1.00 0.00 O ATOM 1478 CB LYS A 99 3.841 18.265 -4.483 1.00 0.00 C ATOM 1479 CG LYS A 99 3.286 19.430 -5.283 1.00 0.00 C ATOM 1480 CD LYS A 99 2.295 20.244 -4.468 1.00 0.00 C ATOM 1481 CE LYS A 99 3.003 21.250 -3.573 1.00 0.00 C ATOM 1482 NZ LYS A 99 2.063 21.900 -2.618 1.00 0.00 N ATOM 0 H LYS A 99 5.626 16.411 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 99 5.359 17.904 -5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.189 17.402 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.822 18.521 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.105 20.072 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.798 19.055 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.614 20.768 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.689 19.575 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.795 20.748 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.480 22.012 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.584 22.578 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.321 22.401 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.627 21.175 -2.013 1.00 0.00 H new ATOM 1496 N ASN A 100 6.517 19.951 -5.010 1.00 0.00 N ATOM 1497 CA ASN A 100 7.446 20.979 -4.553 1.00 0.00 C ATOM 1498 C ASN A 100 8.887 20.487 -4.642 1.00 0.00 C ATOM 1499 O ASN A 100 9.713 20.797 -3.783 1.00 0.00 O ATOM 1500 CB ASN A 100 7.121 21.385 -3.114 1.00 0.00 C ATOM 1501 CG ASN A 100 7.540 22.810 -2.807 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.561 23.684 -2.606 1.00 0.00 O flip ATOM 1503 ND2 ASN A 100 8.730 23.121 -2.751 1.00 0.00 N flip ATOM 0 H ASN A 100 6.095 20.138 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 100 7.337 21.848 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.050 21.279 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.623 20.705 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.449 22.416 -2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.996 24.083 -2.543 1.00 0.00 H new ATOM 1510 N ARG A 101 9.182 19.721 -5.687 1.00 0.00 N ATOM 1511 CA ARG A 101 10.523 19.186 -5.888 1.00 0.00 C ATOM 1512 C ARG A 101 10.952 18.332 -4.698 1.00 0.00 C ATOM 1513 O ARG A 101 12.144 18.172 -4.434 1.00 0.00 O ATOM 1514 CB ARG A 101 11.523 20.325 -6.099 1.00 0.00 C ATOM 1515 CG ARG A 101 11.414 20.985 -7.464 1.00 0.00 C ATOM 1516 CD ARG A 101 12.659 21.794 -7.791 1.00 0.00 C ATOM 1517 NE ARG A 101 12.612 22.349 -9.142 1.00 0.00 N ATOM 1518 CZ ARG A 101 13.467 23.260 -9.592 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.430 23.717 -8.804 1.00 0.00 N ATOM 1520 NH2 ARG A 101 13.359 23.716 -10.833 1.00 0.00 N ATOM 0 H ARG A 101 8.510 19.457 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 101 10.506 18.556 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.370 21.079 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.534 19.938 -5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.263 20.222 -8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.540 21.635 -7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.765 22.604 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.540 21.160 -7.690 1.00 0.00 H new ATOM 0 HE ARG A 101 11.883 22.019 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.516 23.369 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.085 24.417 -9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.619 23.367 -11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.016 24.416 -11.178 1.00 0.00 H new ATOM 1534 N ARG A 102 9.973 17.787 -3.984 1.00 0.00 N ATOM 1535 CA ARG A 102 10.249 16.951 -2.822 1.00 0.00 C ATOM 1536 C ARG A 102 9.268 15.785 -2.746 1.00 0.00 C ATOM 1537 O ARG A 102 8.123 15.895 -3.183 1.00 0.00 O ATOM 1538 CB ARG A 102 10.171 17.782 -1.540 1.00 0.00 C ATOM 1539 CG ARG A 102 8.757 18.203 -1.172 1.00 0.00 C ATOM 1540 CD ARG A 102 8.672 18.663 0.275 1.00 0.00 C ATOM 1541 NE ARG A 102 8.982 20.083 0.417 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.218 20.557 0.534 1.00 0.00 C ATOM 1543 NH1 ARG A 102 11.253 19.728 0.526 1.00 0.00 N ATOM 1544 NH2 ARG A 102 10.420 21.862 0.660 1.00 0.00 N ATOM 0 H ARG A 102 8.981 17.909 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 102 11.257 16.549 -2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.595 17.206 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.788 18.673 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.433 19.009 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.075 17.368 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.670 18.471 0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.363 18.079 0.882 1.00 0.00 H new ATOM 0 HE ARG A 102 8.208 20.747 0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.101 18.724 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.201 20.094 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.626 22.503 0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.369 22.225 0.750 1.00 0.00 H new ATOM 1558 N SER A 103 9.726 14.669 -2.187 1.00 0.00 N ATOM 1559 CA SER A 103 8.890 13.481 -2.058 1.00 0.00 C ATOM 1560 C SER A 103 8.350 13.349 -0.637 1.00 0.00 C ATOM 1561 O SER A 103 9.076 13.552 0.336 1.00 0.00 O ATOM 1562 CB SER A 103 9.686 12.229 -2.431 1.00 0.00 C ATOM 1563 OG SER A 103 10.489 12.457 -3.576 1.00 0.00 O ATOM 0 H SER A 103 10.670 14.563 -1.817 1.00 0.00 H new ATOM 0 HA SER A 103 8.047 13.584 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.317 11.933 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.001 11.403 -2.622 1.00 0.00 H new ATOM 0 HG SER A 103 10.989 11.642 -3.793 1.00 0.00 H new ATOM 1569 N SER A 104 7.070 13.007 -0.526 1.00 0.00 N ATOM 1570 CA SER A 104 6.430 12.852 0.774 1.00 0.00 C ATOM 1571 C SER A 104 6.603 11.430 1.299 1.00 0.00 C ATOM 1572 O SER A 104 7.246 10.594 0.662 1.00 0.00 O ATOM 1573 CB SER A 104 4.942 13.194 0.678 1.00 0.00 C ATOM 1574 OG SER A 104 4.253 12.808 1.855 1.00 0.00 O ATOM 0 H SER A 104 6.456 12.832 -1.322 1.00 0.00 H new ATOM 0 HA SER A 104 6.909 13.539 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.822 14.265 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.505 12.691 -0.185 1.00 0.00 H new ATOM 0 HG SER A 104 3.304 13.039 1.769 1.00 0.00 H new ATOM 1580 N THR A 105 6.025 11.161 2.465 1.00 0.00 N ATOM 1581 CA THR A 105 6.115 9.841 3.077 1.00 0.00 C ATOM 1582 C THR A 105 4.980 8.939 2.609 1.00 0.00 C ATOM 1583 O THR A 105 3.964 9.416 2.103 1.00 0.00 O ATOM 1584 CB THR A 105 6.083 9.932 4.614 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.390 8.655 5.187 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.719 10.397 5.101 1.00 0.00 C ATOM 0 H THR A 105 5.489 11.840 3.005 1.00 0.00 H new ATOM 0 HA THR A 105 7.067 9.412 2.765 1.00 0.00 H new ATOM 0 HB THR A 105 6.831 10.660 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.369 8.722 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.721 10.453 6.190 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.501 11.381 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.956 9.690 4.776 1.00 0.00 H new ATOM 1594 N TRP A 106 5.158 7.634 2.782 1.00 0.00 N ATOM 1595 CA TRP A 106 4.146 6.665 2.377 1.00 0.00 C ATOM 1596 C TRP A 106 3.030 6.577 3.412 1.00 0.00 C ATOM 1597 O TRP A 106 3.287 6.584 4.616 1.00 0.00 O ATOM 1598 CB TRP A 106 4.781 5.288 2.175 1.00 0.00 C ATOM 1599 CG TRP A 106 5.964 5.308 1.255 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.267 5.530 1.600 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.951 5.100 -0.161 1.00 0.00 C ATOM 1602 NE1 TRP A 106 8.065 5.473 0.482 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.282 5.210 -0.610 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.946 4.831 -1.094 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.630 5.060 -1.950 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.293 4.682 -2.423 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.625 4.796 -2.841 1.00 0.00 C ATOM 0 H TRP A 106 5.993 7.223 3.200 1.00 0.00 H new ATOM 0 HA TRP A 106 3.715 7.001 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.089 4.893 3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.031 4.605 1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.618 5.722 2.603 1.00 0.00 H new ATOM 0 HE1 TRP A 106 9.076 5.605 0.468 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.916 4.741 -0.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.656 5.149 -2.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.524 4.474 -3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.864 4.673 -3.887 1.00 0.00 H new ATOM 1618 N SER A 107 1.792 6.495 2.937 1.00 0.00 N ATOM 1619 CA SER A 107 0.637 6.410 3.823 1.00 0.00 C ATOM 1620 C SER A 107 0.485 4.999 4.382 1.00 0.00 C ATOM 1621 O SER A 107 1.156 4.068 3.939 1.00 0.00 O ATOM 1622 CB SER A 107 -0.636 6.815 3.076 1.00 0.00 C ATOM 1623 OG SER A 107 -0.828 6.013 1.923 1.00 0.00 O ATOM 0 H SER A 107 1.563 6.486 1.943 1.00 0.00 H new ATOM 0 HA SER A 107 0.796 7.097 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.496 6.718 3.738 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.574 7.864 2.787 1.00 0.00 H new ATOM 0 HG SER A 107 -0.105 5.355 1.858 1.00 0.00 H new ATOM 1629 N MET A 108 -0.403 4.849 5.360 1.00 0.00 N ATOM 1630 CA MET A 108 -0.645 3.552 5.980 1.00 0.00 C ATOM 1631 C MET A 108 -0.544 2.430 4.952 1.00 0.00 C ATOM 1632 O MET A 108 -1.267 2.419 3.956 1.00 0.00 O ATOM 1633 CB MET A 108 -2.024 3.529 6.643 1.00 0.00 C ATOM 1634 CG MET A 108 -3.129 4.097 5.768 1.00 0.00 C ATOM 1635 SD MET A 108 -4.765 3.510 6.246 1.00 0.00 S ATOM 1636 CE MET A 108 -4.654 1.784 5.782 1.00 0.00 C ATOM 0 H MET A 108 -0.966 5.610 5.740 1.00 0.00 H new ATOM 0 HA MET A 108 0.119 3.393 6.741 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.274 2.502 6.908 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.980 4.096 7.573 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.107 5.185 5.823 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.940 3.827 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.648 1.408 5.538 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.004 1.682 4.913 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.243 1.210 6.612 1.00 0.00 H new ATOM 1646 N THR A 109 0.360 1.486 5.199 1.00 0.00 N ATOM 1647 CA THR A 109 0.556 0.361 4.294 1.00 0.00 C ATOM 1648 C THR A 109 -0.589 -0.638 4.402 1.00 0.00 C ATOM 1649 O THR A 109 -0.939 -1.080 5.496 1.00 0.00 O ATOM 1650 CB THR A 109 1.885 -0.365 4.581 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.943 0.589 4.723 1.00 0.00 O ATOM 1652 CG2 THR A 109 2.221 -1.339 3.462 1.00 0.00 C ATOM 0 H THR A 109 0.967 1.479 6.018 1.00 0.00 H new ATOM 0 HA THR A 109 0.583 0.769 3.284 1.00 0.00 H new ATOM 0 HB THR A 109 1.775 -0.926 5.509 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.784 0.120 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.163 -1.840 3.686 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.427 -2.081 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.314 -0.795 2.522 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.170 -0.992 3.260 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.275 -1.942 3.227 1.00 0.00 C ATOM 1662 C ALA A 110 -1.787 -3.338 2.857 1.00 0.00 C ATOM 1663 O ALA A 110 -0.684 -3.504 2.335 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.342 -1.476 2.247 1.00 0.00 C ATOM 0 H ALA A 110 -0.893 -0.635 2.345 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.711 -1.991 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.161 -2.195 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.720 -0.501 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.910 -1.398 1.249 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.615 -4.341 3.131 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.268 -5.725 2.827 1.00 0.00 C ATOM 1672 C HIS A 111 -3.321 -6.365 1.927 1.00 0.00 C ATOM 1673 O HIS A 111 -4.468 -5.920 1.885 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.123 -6.532 4.117 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.820 -6.309 4.820 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.399 -6.347 4.177 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.550 -6.042 6.120 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.363 -6.115 5.050 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.814 -5.926 6.236 1.00 0.00 N ATOM 0 H HIS A 111 -3.531 -4.221 3.563 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.315 -5.726 2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.939 -6.273 4.791 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.225 -7.592 3.886 1.00 0.00 H new ATOM 0 HD1 HIS A 111 0.535 -6.526 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.272 -5.939 6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.420 -6.085 4.831 1.00 0.00 H new ATOM 1688 N ALA A 112 -2.924 -7.410 1.209 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.834 -8.111 0.312 1.00 0.00 C ATOM 1690 C ALA A 112 -3.184 -9.368 -0.256 1.00 0.00 C ATOM 1691 O ALA A 112 -2.178 -9.295 -0.963 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.279 -7.190 -0.814 1.00 0.00 C ATOM 0 H ALA A 112 -1.978 -7.790 1.231 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.710 -8.414 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.958 -7.727 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.790 -6.323 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.408 -6.859 -1.379 1.00 0.00 H new ATOM 1698 N THR A 113 -3.765 -10.522 0.057 1.00 0.00 N ATOM 1699 CA THR A 113 -3.241 -11.796 -0.420 1.00 0.00 C ATOM 1700 C THR A 113 -3.862 -12.178 -1.759 1.00 0.00 C ATOM 1701 O THR A 113 -5.016 -11.849 -2.038 1.00 0.00 O ATOM 1702 CB THR A 113 -3.501 -12.926 0.594 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.436 -12.411 1.928 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.485 -14.046 0.427 1.00 0.00 C ATOM 0 H THR A 113 -4.599 -10.601 0.639 1.00 0.00 H new ATOM 0 HA THR A 113 -2.165 -11.669 -0.543 1.00 0.00 H new ATOM 0 HB THR A 113 -4.497 -13.329 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.604 -13.135 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.688 -14.833 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.557 -14.455 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.481 -13.654 0.588 1.00 0.00 H new ATOM 1712 N THR A 114 -3.090 -12.875 -2.587 1.00 0.00 N ATOM 1713 CA THR A 114 -3.564 -13.302 -3.897 1.00 0.00 C ATOM 1714 C THR A 114 -4.156 -14.705 -3.838 1.00 0.00 C ATOM 1715 O THR A 114 -3.736 -15.533 -3.029 1.00 0.00 O ATOM 1716 CB THR A 114 -2.430 -13.280 -4.939 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.280 -13.964 -4.427 1.00 0.00 O ATOM 1718 CG2 THR A 114 -2.056 -11.851 -5.302 1.00 0.00 C ATOM 0 H THR A 114 -2.133 -13.156 -2.373 1.00 0.00 H new ATOM 0 HA THR A 114 -4.338 -12.596 -4.198 1.00 0.00 H new ATOM 0 HB THR A 114 -2.783 -13.786 -5.838 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.522 -13.829 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.253 -11.861 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.925 -11.342 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.721 -11.324 -4.408 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.134 -14.966 -4.698 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.786 -16.270 -4.742 1.00 0.00 C ATOM 1728 C TYR A 115 -4.786 -17.367 -5.093 1.00 0.00 C ATOM 1729 O TYR A 115 -3.960 -17.205 -5.990 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.927 -16.259 -5.760 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.906 -15.124 -5.561 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.996 -15.263 -4.711 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.740 -13.913 -6.221 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.894 -14.229 -4.526 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.632 -12.874 -6.041 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.707 -13.037 -5.193 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.599 -12.004 -5.010 1.00 0.00 O ATOM 0 H TYR A 115 -5.493 -14.292 -5.374 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.193 -16.478 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.507 -16.193 -6.763 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.464 -17.206 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.144 -16.195 -4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.899 -13.782 -6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.737 -14.354 -3.863 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.488 -11.939 -6.562 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.196 -11.166 -5.319 1.00 0.00 H new ATOM 1747 N GLU A 116 -4.869 -18.485 -4.378 1.00 0.00 N ATOM 1748 CA GLU A 116 -3.972 -19.610 -4.614 1.00 0.00 C ATOM 1749 C GLU A 116 -4.036 -20.062 -6.070 1.00 0.00 C ATOM 1750 O GLU A 116 -5.105 -20.395 -6.581 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.327 -20.777 -3.690 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.147 -21.678 -3.367 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.563 -23.114 -3.112 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.439 -23.333 -2.249 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.013 -24.018 -3.775 1.00 0.00 O ATOM 0 H GLU A 116 -5.548 -18.635 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.955 -19.282 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.737 -20.382 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.112 -21.373 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.437 -21.651 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.629 -21.292 -2.489 1.00 0.00 H new ATOM 1762 N ALA A 117 -2.884 -20.070 -6.733 1.00 0.00 N ATOM 1763 CA ALA A 117 -2.809 -20.482 -8.129 1.00 0.00 C ATOM 1764 C ALA A 117 -3.411 -21.870 -8.325 1.00 0.00 C ATOM 1765 O ALA A 117 -4.126 -22.115 -9.297 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.366 -20.458 -8.609 1.00 0.00 C ATOM 0 H ALA A 117 -1.990 -19.796 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.390 -19.776 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.325 -20.768 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.968 -19.448 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.770 -21.141 -8.004 1.00 0.00 H new ATOM 1772 N SER A 118 -3.116 -22.774 -7.397 1.00 0.00 N ATOM 1773 CA SER A 118 -3.625 -24.139 -7.470 1.00 0.00 C ATOM 1774 C SER A 118 -4.868 -24.303 -6.601 1.00 0.00 C ATOM 1775 O SER A 118 -4.772 -24.463 -5.385 1.00 0.00 O ATOM 1776 CB SER A 118 -2.546 -25.132 -7.031 1.00 0.00 C ATOM 1777 OG SER A 118 -2.794 -26.422 -7.563 1.00 0.00 O ATOM 0 H SER A 118 -2.527 -22.586 -6.586 1.00 0.00 H new ATOM 0 HA SER A 118 -3.898 -24.344 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 118 -1.568 -24.781 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 118 -2.516 -25.184 -5.943 1.00 0.00 H new ATOM 0 HG SER A 118 -2.090 -27.038 -7.270 1.00 0.00 H new ATOM 1783 N GLY A 119 -6.035 -24.262 -7.236 1.00 0.00 N ATOM 1784 CA GLY A 119 -7.281 -24.408 -6.506 1.00 0.00 C ATOM 1785 C GLY A 119 -8.147 -23.166 -6.584 1.00 0.00 C ATOM 1786 O GLY A 119 -7.875 -22.152 -5.942 1.00 0.00 O ATOM 0 H GLY A 119 -6.140 -24.130 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.834 -25.259 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.063 -24.630 -5.461 1.00 0.00 H new ATOM 1790 N PRO A 120 -9.218 -23.236 -7.389 1.00 0.00 N ATOM 1791 CA PRO A 120 -10.148 -22.117 -7.569 1.00 0.00 C ATOM 1792 C PRO A 120 -10.982 -21.850 -6.320 1.00 0.00 C ATOM 1793 O PRO A 120 -11.273 -22.764 -5.550 1.00 0.00 O ATOM 1794 CB PRO A 120 -11.044 -22.582 -8.720 1.00 0.00 C ATOM 1795 CG PRO A 120 -10.986 -24.070 -8.669 1.00 0.00 C ATOM 1796 CD PRO A 120 -9.604 -24.414 -8.185 1.00 0.00 C ATOM 0 HA PRO A 120 -9.626 -21.181 -7.768 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -12.065 -22.221 -8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -10.686 -22.205 -9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -11.746 -24.467 -7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -11.174 -24.502 -9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -9.604 -25.323 -7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -8.917 -24.581 -9.015 1.00 0.00 H new ATOM 1804 N SER A 121 -11.362 -20.591 -6.127 1.00 0.00 N ATOM 1805 CA SER A 121 -12.160 -20.203 -4.970 1.00 0.00 C ATOM 1806 C SER A 121 -13.645 -20.176 -5.318 1.00 0.00 C ATOM 1807 O SER A 121 -14.127 -19.240 -5.957 1.00 0.00 O ATOM 1808 CB SER A 121 -11.719 -18.830 -4.458 1.00 0.00 C ATOM 1809 OG SER A 121 -12.556 -18.386 -3.404 1.00 0.00 O ATOM 0 H SER A 121 -11.130 -19.823 -6.757 1.00 0.00 H new ATOM 0 HA SER A 121 -12.003 -20.944 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 121 -10.687 -18.882 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 121 -11.744 -18.109 -5.275 1.00 0.00 H new ATOM 0 HG SER A 121 -12.253 -17.507 -3.093 1.00 0.00 H new ATOM 1815 N SER A 122 -14.365 -21.209 -4.893 1.00 0.00 N ATOM 1816 CA SER A 122 -15.795 -21.307 -5.162 1.00 0.00 C ATOM 1817 C SER A 122 -16.597 -21.250 -3.866 1.00 0.00 C ATOM 1818 O SER A 122 -16.461 -22.113 -3.000 1.00 0.00 O ATOM 1819 CB SER A 122 -16.107 -22.604 -5.911 1.00 0.00 C ATOM 1820 OG SER A 122 -15.657 -23.734 -5.184 1.00 0.00 O ATOM 0 H SER A 122 -13.982 -21.990 -4.361 1.00 0.00 H new ATOM 0 HA SER A 122 -16.081 -20.459 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.181 -22.681 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 122 -15.631 -22.585 -6.891 1.00 0.00 H new ATOM 0 HG SER A 122 -15.712 -23.548 -4.223 1.00 0.00 H new ATOM 1826 N GLY A 123 -17.435 -20.225 -3.740 1.00 0.00 N ATOM 1827 CA GLY A 123 -18.247 -20.072 -2.547 1.00 0.00 C ATOM 1828 C GLY A 123 -19.588 -19.428 -2.837 1.00 0.00 C ATOM 1829 O GLY A 123 -19.916 -18.383 -2.276 1.00 0.00 O ATOM 0 H GLY A 123 -17.566 -19.498 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.408 -21.050 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.707 -19.467 -1.819 1.00 0.00 H new TER 1833 GLY A 123