USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 42 SER OG : rot 109:sc= 1.02 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -8.92! C(o=-7.9!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.332 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 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.67 K(o=-1.7,f=-14!) USER MOD Single : A 35 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.53) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 162:sc= -5.29! (180deg=-6.63!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 46 CYS SG : rot 130:sc= -6.29! USER MOD Single : A 47 GLN : amide:sc= -0.0351 K(o=-0.035,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.408 (180deg=0.395) USER MOD Single : A 52 ASN : amide:sc= -7.28! C(o=-7.3!,f=-7.4!) USER MOD Single : A 53 THR OG1 : rot -32:sc= 0.998 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0756 USER MOD Single : A 55 ASN : amide:sc= -4.29! C(o=-4.3!,f=-3.1!) USER MOD Single : A 62 MET CE :methyl -142:sc= -7.79! (180deg=-9.7!) USER MOD Single : A 63 ASN : amide:sc= -0.321 K(o=-0.32,f=-1.7!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -7.57! C(o=-7.6!,f=-9.5!) USER MOD Single : A 69 MET CE :methyl -124:sc= -0.162 (180deg=-1.86) USER MOD Single : A 79 SER OG : rot 49:sc= 0.807 USER MOD Single : A 82 SER OG : rot 39:sc= 0.641 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.523 -14.255 30.768 1.00 0.00 N ATOM 2 CA GLY A 1 8.418 -15.049 29.555 1.00 0.00 C ATOM 3 C GLY A 1 8.285 -14.152 28.323 1.00 0.00 C ATOM 4 O GLY A 1 7.234 -14.120 27.684 1.00 0.00 O ATOM 0 H1 GLY A 1 8.612 -14.886 31.590 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.361 -13.642 30.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.671 -13.668 30.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.298 -15.684 29.454 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.554 -15.711 29.623 1.00 0.00 H new ATOM 8 N SER A 2 9.365 -13.444 28.026 1.00 0.00 N ATOM 9 CA SER A 2 9.383 -12.549 26.882 1.00 0.00 C ATOM 10 C SER A 2 10.572 -12.879 25.977 1.00 0.00 C ATOM 11 O SER A 2 11.705 -12.504 26.274 1.00 0.00 O ATOM 12 CB SER A 2 9.444 -11.087 27.327 1.00 0.00 C ATOM 13 OG SER A 2 10.509 -10.853 28.245 1.00 0.00 O ATOM 0 H SER A 2 10.234 -13.472 28.559 1.00 0.00 H new ATOM 0 HA SER A 2 8.459 -12.692 26.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.571 -10.447 26.454 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.498 -10.809 27.791 1.00 0.00 H new ATOM 0 HG SER A 2 11.315 -11.318 27.936 1.00 0.00 H new ATOM 19 N SER A 3 10.273 -13.577 24.891 1.00 0.00 N ATOM 20 CA SER A 3 11.303 -13.962 23.941 1.00 0.00 C ATOM 21 C SER A 3 10.966 -13.413 22.554 1.00 0.00 C ATOM 22 O SER A 3 9.819 -13.060 22.283 1.00 0.00 O ATOM 23 CB SER A 3 11.461 -15.482 23.887 1.00 0.00 C ATOM 24 OG SER A 3 12.818 -15.884 24.060 1.00 0.00 O ATOM 0 H SER A 3 9.332 -13.886 24.648 1.00 0.00 H new ATOM 0 HA SER A 3 12.251 -13.537 24.272 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.846 -15.938 24.663 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.093 -15.851 22.930 1.00 0.00 H new ATOM 0 HG SER A 3 12.877 -16.861 24.021 1.00 0.00 H new ATOM 30 N GLY A 4 11.987 -13.358 21.710 1.00 0.00 N ATOM 31 CA GLY A 4 11.813 -12.859 20.357 1.00 0.00 C ATOM 32 C GLY A 4 11.671 -14.011 19.361 1.00 0.00 C ATOM 33 O GLY A 4 12.147 -15.117 19.613 1.00 0.00 O ATOM 0 H GLY A 4 12.937 -13.651 21.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.929 -12.223 20.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.666 -12.239 20.082 1.00 0.00 H new ATOM 37 N SER A 5 11.013 -13.713 18.250 1.00 0.00 N ATOM 38 CA SER A 5 10.802 -14.710 17.215 1.00 0.00 C ATOM 39 C SER A 5 11.221 -14.150 15.854 1.00 0.00 C ATOM 40 O SER A 5 10.541 -13.289 15.297 1.00 0.00 O ATOM 41 CB SER A 5 9.341 -15.162 17.175 1.00 0.00 C ATOM 42 OG SER A 5 9.158 -16.308 16.348 1.00 0.00 O ATOM 0 H SER A 5 10.619 -12.795 18.044 1.00 0.00 H new ATOM 0 HA SER A 5 11.417 -15.579 17.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.004 -15.388 18.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.719 -14.346 16.806 1.00 0.00 H new ATOM 0 HG SER A 5 8.212 -16.566 16.351 1.00 0.00 H new ATOM 48 N SER A 6 12.339 -14.660 15.359 1.00 0.00 N ATOM 49 CA SER A 6 12.856 -14.221 14.074 1.00 0.00 C ATOM 50 C SER A 6 13.690 -15.335 13.437 1.00 0.00 C ATOM 51 O SER A 6 14.880 -15.463 13.719 1.00 0.00 O ATOM 52 CB SER A 6 13.695 -12.950 14.223 1.00 0.00 C ATOM 53 OG SER A 6 13.402 -11.994 13.208 1.00 0.00 O ATOM 0 H SER A 6 12.901 -15.373 15.824 1.00 0.00 H new ATOM 0 HA SER A 6 12.010 -13.992 13.425 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.511 -12.507 15.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.753 -13.208 14.183 1.00 0.00 H new ATOM 0 HG SER A 6 13.957 -11.197 13.339 1.00 0.00 H new ATOM 59 N GLY A 7 13.031 -16.113 12.590 1.00 0.00 N ATOM 60 CA GLY A 7 13.696 -17.211 11.911 1.00 0.00 C ATOM 61 C GLY A 7 14.187 -18.258 12.913 1.00 0.00 C ATOM 62 O GLY A 7 13.740 -18.284 14.059 1.00 0.00 O ATOM 0 H GLY A 7 12.043 -16.004 12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.009 -17.674 11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.539 -16.830 11.335 1.00 0.00 H new ATOM 66 N GLY A 8 15.101 -19.096 12.445 1.00 0.00 N ATOM 67 CA GLY A 8 15.657 -20.143 13.286 1.00 0.00 C ATOM 68 C GLY A 8 16.719 -20.946 12.531 1.00 0.00 C ATOM 69 O GLY A 8 16.663 -21.059 11.307 1.00 0.00 O ATOM 0 H GLY A 8 15.470 -19.071 11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.097 -19.701 14.180 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.861 -20.809 13.619 1.00 0.00 H new ATOM 73 N GLU A 9 17.661 -21.482 13.292 1.00 0.00 N ATOM 74 CA GLU A 9 18.734 -22.271 12.711 1.00 0.00 C ATOM 75 C GLU A 9 18.162 -23.326 11.761 1.00 0.00 C ATOM 76 O GLU A 9 17.594 -24.323 12.204 1.00 0.00 O ATOM 77 CB GLU A 9 19.589 -22.921 13.801 1.00 0.00 C ATOM 78 CG GLU A 9 20.763 -22.019 14.186 1.00 0.00 C ATOM 79 CD GLU A 9 20.590 -21.470 15.604 1.00 0.00 C ATOM 80 OE1 GLU A 9 21.052 -22.158 16.540 1.00 0.00 O ATOM 81 OE2 GLU A 9 19.999 -20.374 15.720 1.00 0.00 O ATOM 0 H GLU A 9 17.704 -21.386 14.307 1.00 0.00 H new ATOM 0 HA GLU A 9 19.379 -21.605 12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.975 -23.120 14.679 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.964 -23.882 13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 9 21.695 -22.581 14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.839 -21.193 13.479 1.00 0.00 H new ATOM 88 N GLU A 10 18.332 -23.069 10.472 1.00 0.00 N ATOM 89 CA GLU A 10 17.841 -23.984 9.456 1.00 0.00 C ATOM 90 C GLU A 10 18.916 -24.228 8.396 1.00 0.00 C ATOM 91 O GLU A 10 19.159 -23.373 7.544 1.00 0.00 O ATOM 92 CB GLU A 10 16.553 -23.456 8.820 1.00 0.00 C ATOM 93 CG GLU A 10 15.678 -24.606 8.317 1.00 0.00 C ATOM 94 CD GLU A 10 14.320 -24.091 7.837 1.00 0.00 C ATOM 95 OE1 GLU A 10 14.299 -23.475 6.749 1.00 0.00 O ATOM 96 OE2 GLU A 10 13.333 -24.326 8.567 1.00 0.00 O ATOM 0 H GLU A 10 18.803 -22.240 10.108 1.00 0.00 H new ATOM 0 HA GLU A 10 17.608 -24.936 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.999 -22.865 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.798 -22.792 7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.184 -25.123 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.534 -25.334 9.115 1.00 0.00 H new ATOM 103 N LEU A 11 19.533 -25.397 8.482 1.00 0.00 N ATOM 104 CA LEU A 11 20.578 -25.764 7.541 1.00 0.00 C ATOM 105 C LEU A 11 21.765 -24.813 7.707 1.00 0.00 C ATOM 106 O LEU A 11 21.598 -23.595 7.680 1.00 0.00 O ATOM 107 CB LEU A 11 20.022 -25.810 6.116 1.00 0.00 C ATOM 108 CG LEU A 11 21.057 -25.947 4.997 1.00 0.00 C ATOM 109 CD1 LEU A 11 20.841 -27.239 4.206 1.00 0.00 C ATOM 110 CD2 LEU A 11 21.053 -24.713 4.093 1.00 0.00 C ATOM 0 H LEU A 11 19.329 -26.103 9.189 1.00 0.00 H new ATOM 0 HA LEU A 11 20.943 -26.770 7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.327 -26.646 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.446 -24.901 5.942 1.00 0.00 H new ATOM 0 HG LEU A 11 22.046 -26.010 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 11 21.589 -27.312 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.934 -28.095 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 11 19.845 -27.232 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 11 21.797 -24.836 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 11 20.067 -24.594 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.292 -23.829 4.684 1.00 0.00 H new ATOM 122 N LEU A 12 22.938 -25.406 7.876 1.00 0.00 N ATOM 123 CA LEU A 12 24.152 -24.627 8.047 1.00 0.00 C ATOM 124 C LEU A 12 25.067 -24.845 6.840 1.00 0.00 C ATOM 125 O LEU A 12 25.580 -25.944 6.636 1.00 0.00 O ATOM 126 CB LEU A 12 24.815 -24.955 9.387 1.00 0.00 C ATOM 127 CG LEU A 12 26.161 -24.277 9.653 1.00 0.00 C ATOM 128 CD1 LEU A 12 25.989 -23.050 10.550 1.00 0.00 C ATOM 129 CD2 LEU A 12 27.171 -25.271 10.229 1.00 0.00 C ATOM 0 H LEU A 12 23.073 -26.417 7.898 1.00 0.00 H new ATOM 0 HA LEU A 12 23.919 -23.563 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.128 -24.680 10.187 1.00 0.00 H new ATOM 0 HB3 LEU A 12 24.956 -26.034 9.445 1.00 0.00 H new ATOM 0 HG LEU A 12 26.561 -23.927 8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 12 26.960 -22.587 10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.327 -22.334 10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 12 25.557 -23.354 11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 12 28.119 -24.764 10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.791 -25.673 11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 12 27.324 -26.086 9.521 1.00 0.00 H new ATOM 141 N PRO A 13 25.246 -23.752 6.051 1.00 0.00 N ATOM 142 CA PRO A 13 26.089 -23.813 4.869 1.00 0.00 C ATOM 143 C PRO A 13 27.571 -23.822 5.252 1.00 0.00 C ATOM 144 O PRO A 13 28.009 -23.017 6.072 1.00 0.00 O ATOM 145 CB PRO A 13 25.698 -22.598 4.043 1.00 0.00 C ATOM 146 CG PRO A 13 24.988 -21.654 5.001 1.00 0.00 C ATOM 147 CD PRO A 13 24.654 -22.434 6.262 1.00 0.00 C ATOM 0 HA PRO A 13 25.945 -24.730 4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.577 -22.123 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.045 -22.881 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.624 -20.801 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.080 -21.259 4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.068 -21.951 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 13 23.576 -22.503 6.411 1.00 0.00 H new ATOM 155 N ASP A 14 28.301 -24.743 4.640 1.00 0.00 N ATOM 156 CA ASP A 14 29.724 -24.868 4.907 1.00 0.00 C ATOM 157 C ASP A 14 30.497 -24.756 3.592 1.00 0.00 C ATOM 158 O ASP A 14 31.452 -23.987 3.492 1.00 0.00 O ATOM 159 CB ASP A 14 30.050 -26.226 5.533 1.00 0.00 C ATOM 160 CG ASP A 14 29.756 -26.335 7.030 1.00 0.00 C ATOM 161 OD1 ASP A 14 29.974 -25.320 7.727 1.00 0.00 O ATOM 162 OD2 ASP A 14 29.320 -27.431 7.444 1.00 0.00 O ATOM 0 H ASP A 14 27.934 -25.409 3.961 1.00 0.00 H new ATOM 0 HA ASP A 14 30.008 -24.075 5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.483 -26.996 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 14 31.106 -26.441 5.369 1.00 0.00 H new ATOM 167 N GLY A 15 30.055 -25.534 2.614 1.00 0.00 N ATOM 168 CA GLY A 15 30.694 -25.531 1.309 1.00 0.00 C ATOM 169 C GLY A 15 29.744 -26.063 0.234 1.00 0.00 C ATOM 170 O GLY A 15 29.952 -27.152 -0.300 1.00 0.00 O ATOM 0 H GLY A 15 29.262 -26.170 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 15 31.006 -24.518 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 15 31.595 -26.144 1.339 1.00 0.00 H new ATOM 174 N VAL A 16 28.723 -25.270 -0.053 1.00 0.00 N ATOM 175 CA VAL A 16 27.741 -25.647 -1.056 1.00 0.00 C ATOM 176 C VAL A 16 27.256 -24.393 -1.786 1.00 0.00 C ATOM 177 O VAL A 16 27.306 -23.293 -1.238 1.00 0.00 O ATOM 178 CB VAL A 16 26.604 -26.436 -0.404 1.00 0.00 C ATOM 179 CG1 VAL A 16 27.121 -27.741 0.205 1.00 0.00 C ATOM 180 CG2 VAL A 16 25.881 -25.590 0.646 1.00 0.00 C ATOM 0 H VAL A 16 28.554 -24.368 0.391 1.00 0.00 H new ATOM 0 HA VAL A 16 28.189 -26.304 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 16 25.885 -26.691 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 16 26.293 -28.283 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 16 27.569 -28.355 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 16 27.870 -27.517 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 16 25.077 -26.175 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 16 26.587 -25.290 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 16 25.463 -24.702 0.173 1.00 0.00 H new ATOM 190 N PRO A 17 26.785 -24.606 -3.044 1.00 0.00 N ATOM 191 CA PRO A 17 26.292 -23.505 -3.854 1.00 0.00 C ATOM 192 C PRO A 17 24.911 -23.050 -3.378 1.00 0.00 C ATOM 193 O PRO A 17 23.928 -23.167 -4.108 1.00 0.00 O ATOM 194 CB PRO A 17 26.283 -24.039 -5.278 1.00 0.00 C ATOM 195 CG PRO A 17 26.327 -25.553 -5.156 1.00 0.00 C ATOM 196 CD PRO A 17 26.711 -25.894 -3.726 1.00 0.00 C ATOM 0 HA PRO A 17 26.917 -22.615 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 17 25.388 -23.716 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 17 27.140 -23.667 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 17 25.357 -25.984 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 17 27.050 -25.972 -5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 17 25.971 -26.546 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 17 27.666 -26.418 -3.687 1.00 0.00 H new ATOM 204 N GLU A 18 24.881 -22.539 -2.156 1.00 0.00 N ATOM 205 CA GLU A 18 23.637 -22.065 -1.573 1.00 0.00 C ATOM 206 C GLU A 18 23.924 -21.093 -0.427 1.00 0.00 C ATOM 207 O GLU A 18 24.779 -21.358 0.417 1.00 0.00 O ATOM 208 CB GLU A 18 22.774 -23.235 -1.097 1.00 0.00 C ATOM 209 CG GLU A 18 21.608 -23.483 -2.057 1.00 0.00 C ATOM 210 CD GLU A 18 20.378 -23.996 -1.305 1.00 0.00 C ATOM 211 OE1 GLU A 18 19.676 -23.144 -0.718 1.00 0.00 O ATOM 212 OE2 GLU A 18 20.168 -25.227 -1.334 1.00 0.00 O ATOM 0 H GLU A 18 25.698 -22.443 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 18 23.077 -21.533 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 18 23.385 -24.135 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 18 22.390 -23.025 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 18 21.360 -22.559 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 18 21.904 -24.208 -2.815 1.00 0.00 H new ATOM 219 N GLU A 19 23.194 -19.988 -0.434 1.00 0.00 N ATOM 220 CA GLU A 19 23.359 -18.975 0.595 1.00 0.00 C ATOM 221 C GLU A 19 22.390 -17.815 0.359 1.00 0.00 C ATOM 222 O GLU A 19 22.796 -16.744 -0.089 1.00 0.00 O ATOM 223 CB GLU A 19 24.805 -18.479 0.648 1.00 0.00 C ATOM 224 CG GLU A 19 24.978 -17.409 1.728 1.00 0.00 C ATOM 225 CD GLU A 19 25.977 -17.863 2.795 1.00 0.00 C ATOM 226 OE1 GLU A 19 25.931 -19.063 3.141 1.00 0.00 O ATOM 227 OE2 GLU A 19 26.764 -17.000 3.240 1.00 0.00 O ATOM 0 H GLU A 19 22.486 -19.771 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 19 23.128 -19.425 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.473 -19.316 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.089 -18.071 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.323 -16.481 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.015 -17.197 2.193 1.00 0.00 H new ATOM 234 N VAL A 20 21.127 -18.068 0.670 1.00 0.00 N ATOM 235 CA VAL A 20 20.097 -17.058 0.497 1.00 0.00 C ATOM 236 C VAL A 20 18.914 -17.381 1.412 1.00 0.00 C ATOM 237 O VAL A 20 18.624 -18.548 1.670 1.00 0.00 O ATOM 238 CB VAL A 20 19.702 -16.961 -0.978 1.00 0.00 C ATOM 239 CG1 VAL A 20 19.024 -18.248 -1.451 1.00 0.00 C ATOM 240 CG2 VAL A 20 18.806 -15.746 -1.226 1.00 0.00 C ATOM 0 H VAL A 20 20.794 -18.958 1.041 1.00 0.00 H new ATOM 0 HA VAL A 20 20.473 -16.076 0.785 1.00 0.00 H new ATOM 0 HB VAL A 20 20.614 -16.830 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 20 18.754 -18.152 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 20 19.709 -19.087 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 20 18.125 -18.424 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 20 18.539 -15.700 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 20 17.900 -15.834 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 20 19.339 -14.837 -0.947 1.00 0.00 H new ATOM 250 N MET A 21 18.262 -16.326 1.877 1.00 0.00 N ATOM 251 CA MET A 21 17.117 -16.482 2.758 1.00 0.00 C ATOM 252 C MET A 21 15.935 -17.110 2.016 1.00 0.00 C ATOM 253 O MET A 21 15.939 -17.187 0.788 1.00 0.00 O ATOM 254 CB MET A 21 16.706 -15.115 3.309 1.00 0.00 C ATOM 255 CG MET A 21 16.200 -14.203 2.190 1.00 0.00 C ATOM 256 SD MET A 21 16.886 -12.566 2.379 1.00 0.00 S ATOM 257 CE MET A 21 16.713 -11.962 0.709 1.00 0.00 C ATOM 0 H MET A 21 18.505 -15.359 1.660 1.00 0.00 H new ATOM 0 HA MET A 21 17.400 -17.143 3.577 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.927 -15.241 4.061 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.556 -14.649 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 21 16.480 -14.614 1.220 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.111 -14.155 2.213 1.00 0.00 H new ATOM 0 HE1 MET A 21 17.096 -10.943 0.649 1.00 0.00 H new ATOM 0 HE2 MET A 21 17.276 -12.602 0.030 1.00 0.00 H new ATOM 0 HE3 MET A 21 15.660 -11.971 0.426 1.00 0.00 H new ATOM 267 N GLU A 22 14.952 -17.543 2.792 1.00 0.00 N ATOM 268 CA GLU A 22 13.767 -18.161 2.223 1.00 0.00 C ATOM 269 C GLU A 22 12.630 -18.171 3.247 1.00 0.00 C ATOM 270 O GLU A 22 12.541 -19.080 4.072 1.00 0.00 O ATOM 271 CB GLU A 22 14.071 -19.576 1.728 1.00 0.00 C ATOM 272 CG GLU A 22 13.832 -19.693 0.221 1.00 0.00 C ATOM 273 CD GLU A 22 14.928 -20.528 -0.445 1.00 0.00 C ATOM 274 OE1 GLU A 22 14.963 -21.745 -0.164 1.00 0.00 O ATOM 275 OE2 GLU A 22 15.706 -19.930 -1.220 1.00 0.00 O ATOM 0 H GLU A 22 14.952 -17.478 3.810 1.00 0.00 H new ATOM 0 HA GLU A 22 13.450 -17.571 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.106 -19.831 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.442 -20.293 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.860 -20.150 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.806 -18.699 -0.225 1.00 0.00 H new ATOM 282 N SER A 23 11.790 -17.150 3.161 1.00 0.00 N ATOM 283 CA SER A 23 10.663 -17.030 4.070 1.00 0.00 C ATOM 284 C SER A 23 9.608 -16.095 3.475 1.00 0.00 C ATOM 285 O SER A 23 9.877 -15.387 2.506 1.00 0.00 O ATOM 286 CB SER A 23 11.112 -16.519 5.440 1.00 0.00 C ATOM 287 OG SER A 23 11.367 -15.117 5.430 1.00 0.00 O ATOM 0 H SER A 23 11.867 -16.398 2.476 1.00 0.00 H new ATOM 0 HA SER A 23 10.227 -18.020 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.343 -16.742 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.014 -17.049 5.747 1.00 0.00 H new ATOM 0 HG SER A 23 11.650 -14.830 6.323 1.00 0.00 H new ATOM 293 N ALA A 24 8.429 -16.124 4.080 1.00 0.00 N ATOM 294 CA ALA A 24 7.333 -15.287 3.621 1.00 0.00 C ATOM 295 C ALA A 24 7.785 -13.826 3.603 1.00 0.00 C ATOM 296 O ALA A 24 7.809 -13.167 4.641 1.00 0.00 O ATOM 297 CB ALA A 24 6.113 -15.509 4.518 1.00 0.00 C ATOM 0 H ALA A 24 8.209 -16.713 4.883 1.00 0.00 H new ATOM 0 HA ALA A 24 7.045 -15.555 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.290 -14.882 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.814 -16.556 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.365 -15.247 5.546 1.00 0.00 H new ATOM 303 N GLN A 25 8.132 -13.363 2.411 1.00 0.00 N ATOM 304 CA GLN A 25 8.583 -11.991 2.243 1.00 0.00 C ATOM 305 C GLN A 25 7.777 -11.299 1.142 1.00 0.00 C ATOM 306 O GLN A 25 7.246 -11.957 0.249 1.00 0.00 O ATOM 307 CB GLN A 25 10.081 -11.939 1.941 1.00 0.00 C ATOM 308 CG GLN A 25 10.379 -12.500 0.549 1.00 0.00 C ATOM 309 CD GLN A 25 11.862 -12.345 0.201 1.00 0.00 C ATOM 310 OE1 GLN A 25 12.341 -11.270 -0.120 1.00 0.00 O ATOM 311 NE2 GLN A 25 12.557 -13.476 0.283 1.00 0.00 N ATOM 0 H GLN A 25 8.110 -13.913 1.552 1.00 0.00 H new ATOM 0 HA GLN A 25 8.416 -11.457 3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.433 -10.909 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.627 -12.510 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.101 -13.553 0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.772 -11.982 -0.193 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.092 -14.341 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.555 -13.478 0.071 1.00 0.00 H new ATOM 320 N PRO A 26 7.709 -9.944 1.245 1.00 0.00 N ATOM 321 CA PRO A 26 6.977 -9.156 0.269 1.00 0.00 C ATOM 322 C PRO A 26 7.753 -9.052 -1.046 1.00 0.00 C ATOM 323 O PRO A 26 8.877 -9.540 -1.147 1.00 0.00 O ATOM 324 CB PRO A 26 6.757 -7.808 0.937 1.00 0.00 C ATOM 325 CG PRO A 26 7.770 -7.734 2.068 1.00 0.00 C ATOM 326 CD PRO A 26 8.325 -9.131 2.289 1.00 0.00 C ATOM 0 HA PRO A 26 6.025 -9.609 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.902 -6.993 0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.739 -7.722 1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.572 -7.040 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.299 -7.362 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.412 -9.142 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.074 -9.504 3.282 1.00 0.00 H new ATOM 334 N VAL A 27 7.122 -8.412 -2.019 1.00 0.00 N ATOM 335 CA VAL A 27 7.739 -8.238 -3.323 1.00 0.00 C ATOM 336 C VAL A 27 7.385 -6.853 -3.869 1.00 0.00 C ATOM 337 O VAL A 27 6.216 -6.472 -3.892 1.00 0.00 O ATOM 338 CB VAL A 27 7.319 -9.375 -4.257 1.00 0.00 C ATOM 339 CG1 VAL A 27 8.033 -10.677 -3.892 1.00 0.00 C ATOM 340 CG2 VAL A 27 5.800 -9.560 -4.246 1.00 0.00 C ATOM 0 H VAL A 27 6.190 -8.008 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 27 8.825 -8.287 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 27 7.616 -9.104 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.716 -11.468 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.111 -10.537 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.782 -10.955 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.528 -10.374 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.470 -9.798 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.319 -8.640 -4.577 1.00 0.00 H new ATOM 350 N ALA A 28 8.416 -6.139 -4.296 1.00 0.00 N ATOM 351 CA ALA A 28 8.229 -4.805 -4.840 1.00 0.00 C ATOM 352 C ALA A 28 7.248 -4.871 -6.012 1.00 0.00 C ATOM 353 O ALA A 28 7.654 -5.066 -7.157 1.00 0.00 O ATOM 354 CB ALA A 28 9.585 -4.224 -5.246 1.00 0.00 C ATOM 0 H ALA A 28 9.384 -6.459 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 28 7.802 -4.140 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.445 -3.223 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.235 -4.172 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.043 -4.863 -6.001 1.00 0.00 H new ATOM 360 N ASN A 29 5.974 -4.703 -5.687 1.00 0.00 N ATOM 361 CA ASN A 29 4.932 -4.741 -6.699 1.00 0.00 C ATOM 362 C ASN A 29 5.406 -3.985 -7.942 1.00 0.00 C ATOM 363 O ASN A 29 5.974 -2.900 -7.833 1.00 0.00 O ATOM 364 CB ASN A 29 3.652 -4.070 -6.197 1.00 0.00 C ATOM 365 CG ASN A 29 2.466 -4.404 -7.103 1.00 0.00 C ATOM 366 OD1 ASN A 29 2.316 -3.877 -8.192 1.00 0.00 O ATOM 367 ND2 ASN A 29 1.634 -5.308 -6.593 1.00 0.00 N ATOM 0 H ASN A 29 5.640 -4.540 -4.737 1.00 0.00 H new ATOM 0 HA ASN A 29 4.725 -5.786 -6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.440 -4.398 -5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.794 -2.990 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.811 -5.599 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.819 -5.710 -5.674 1.00 0.00 H new ATOM 374 N GLU A 30 5.156 -4.589 -9.094 1.00 0.00 N ATOM 375 CA GLU A 30 5.550 -3.987 -10.356 1.00 0.00 C ATOM 376 C GLU A 30 4.687 -2.758 -10.650 1.00 0.00 C ATOM 377 O GLU A 30 5.125 -1.837 -11.337 1.00 0.00 O ATOM 378 CB GLU A 30 5.466 -5.002 -11.498 1.00 0.00 C ATOM 379 CG GLU A 30 6.766 -5.799 -11.619 1.00 0.00 C ATOM 380 CD GLU A 30 7.098 -6.088 -13.084 1.00 0.00 C ATOM 381 OE1 GLU A 30 6.143 -6.381 -13.835 1.00 0.00 O ATOM 382 OE2 GLU A 30 8.300 -6.008 -13.421 1.00 0.00 O ATOM 0 H GLU A 30 4.685 -5.490 -9.180 1.00 0.00 H new ATOM 0 HA GLU A 30 6.589 -3.667 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.633 -5.683 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.264 -4.484 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.583 -5.241 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.674 -6.737 -11.071 1.00 0.00 H new ATOM 389 N GLU A 31 3.475 -2.785 -10.116 1.00 0.00 N ATOM 390 CA GLU A 31 2.546 -1.684 -10.312 1.00 0.00 C ATOM 391 C GLU A 31 2.927 -0.502 -9.419 1.00 0.00 C ATOM 392 O GLU A 31 3.056 0.625 -9.896 1.00 0.00 O ATOM 393 CB GLU A 31 1.106 -2.129 -10.049 1.00 0.00 C ATOM 394 CG GLU A 31 0.201 -1.785 -11.233 1.00 0.00 C ATOM 395 CD GLU A 31 -0.980 -0.918 -10.788 1.00 0.00 C ATOM 396 OE1 GLU A 31 -1.963 -1.510 -10.293 1.00 0.00 O ATOM 397 OE2 GLU A 31 -0.871 0.316 -10.953 1.00 0.00 O ATOM 0 H GLU A 31 3.114 -3.551 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 31 2.608 -1.362 -11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.081 -3.204 -9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.731 -1.645 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.777 -1.258 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.169 -2.702 -11.691 1.00 0.00 H new ATOM 404 N ILE A 32 3.097 -0.799 -8.139 1.00 0.00 N ATOM 405 CA ILE A 32 3.461 0.225 -7.175 1.00 0.00 C ATOM 406 C ILE A 32 4.816 0.822 -7.558 1.00 0.00 C ATOM 407 O ILE A 32 5.026 2.027 -7.432 1.00 0.00 O ATOM 408 CB ILE A 32 3.417 -0.338 -5.753 1.00 0.00 C ATOM 409 CG1 ILE A 32 2.078 -1.025 -5.477 1.00 0.00 C ATOM 410 CG2 ILE A 32 3.725 0.751 -4.723 1.00 0.00 C ATOM 411 CD1 ILE A 32 1.968 -1.441 -4.008 1.00 0.00 C ATOM 0 H ILE A 32 2.989 -1.735 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 32 2.737 1.040 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 32 4.194 -1.097 -5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.260 -0.350 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.977 -1.902 -6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.687 0.325 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.720 1.156 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.987 1.549 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.007 -1.927 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.773 -2.134 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.045 -0.558 -3.373 1.00 0.00 H new ATOM 423 N VAL A 33 5.702 -0.050 -8.019 1.00 0.00 N ATOM 424 CA VAL A 33 7.031 0.376 -8.422 1.00 0.00 C ATOM 425 C VAL A 33 6.935 1.164 -9.730 1.00 0.00 C ATOM 426 O VAL A 33 7.572 2.206 -9.879 1.00 0.00 O ATOM 427 CB VAL A 33 7.961 -0.835 -8.521 1.00 0.00 C ATOM 428 CG1 VAL A 33 9.297 -0.450 -9.159 1.00 0.00 C ATOM 429 CG2 VAL A 33 8.174 -1.476 -7.148 1.00 0.00 C ATOM 0 H VAL A 33 5.525 -1.049 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 33 7.462 1.040 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 33 7.483 -1.573 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.939 -1.329 -9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.122 -0.061 -10.162 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.783 0.315 -8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.839 -2.334 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.620 -0.747 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.215 -1.804 -6.747 1.00 0.00 H new ATOM 439 N ALA A 34 6.135 0.637 -10.644 1.00 0.00 N ATOM 440 CA ALA A 34 5.948 1.278 -11.934 1.00 0.00 C ATOM 441 C ALA A 34 5.359 2.675 -11.724 1.00 0.00 C ATOM 442 O ALA A 34 5.644 3.594 -12.491 1.00 0.00 O ATOM 443 CB ALA A 34 5.061 0.398 -12.818 1.00 0.00 C ATOM 0 H ALA A 34 5.608 -0.227 -10.517 1.00 0.00 H new ATOM 0 HA ALA A 34 6.903 1.396 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.921 0.879 -13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.537 -0.572 -12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.092 0.259 -12.338 1.00 0.00 H new ATOM 449 N GLN A 35 4.550 2.790 -10.682 1.00 0.00 N ATOM 450 CA GLN A 35 3.919 4.059 -10.362 1.00 0.00 C ATOM 451 C GLN A 35 4.940 5.020 -9.750 1.00 0.00 C ATOM 452 O GLN A 35 4.988 6.194 -10.114 1.00 0.00 O ATOM 453 CB GLN A 35 2.726 3.857 -9.424 1.00 0.00 C ATOM 454 CG GLN A 35 1.540 3.242 -10.170 1.00 0.00 C ATOM 455 CD GLN A 35 0.224 3.891 -9.737 1.00 0.00 C ATOM 456 OE1 GLN A 35 0.099 5.101 -9.646 1.00 0.00 O ATOM 457 NE2 GLN A 35 -0.747 3.021 -9.474 1.00 0.00 N ATOM 0 H GLN A 35 4.317 2.026 -10.048 1.00 0.00 H new ATOM 0 HA GLN A 35 3.543 4.499 -11.286 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.015 3.209 -8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.432 4.814 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.676 3.369 -11.244 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.501 2.170 -9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.575 2.020 -9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.664 3.355 -9.176 1.00 0.00 H new ATOM 466 N LEU A 36 5.732 4.486 -8.832 1.00 0.00 N ATOM 467 CA LEU A 36 6.749 5.282 -8.167 1.00 0.00 C ATOM 468 C LEU A 36 7.852 5.632 -9.168 1.00 0.00 C ATOM 469 O LEU A 36 8.238 6.793 -9.292 1.00 0.00 O ATOM 470 CB LEU A 36 7.259 4.563 -6.916 1.00 0.00 C ATOM 471 CG LEU A 36 6.242 4.378 -5.788 1.00 0.00 C ATOM 472 CD1 LEU A 36 6.592 3.160 -4.930 1.00 0.00 C ATOM 473 CD2 LEU A 36 6.115 5.652 -4.950 1.00 0.00 C ATOM 0 H LEU A 36 5.690 3.512 -8.533 1.00 0.00 H new ATOM 0 HA LEU A 36 6.327 6.223 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.628 3.581 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.111 5.119 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 36 5.266 4.188 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.854 3.050 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.591 2.265 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.580 3.296 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.386 5.494 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.082 5.897 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.786 6.474 -5.585 1.00 0.00 H new ATOM 485 N VAL A 37 8.329 4.605 -9.857 1.00 0.00 N ATOM 486 CA VAL A 37 9.380 4.789 -10.843 1.00 0.00 C ATOM 487 C VAL A 37 8.944 5.851 -11.855 1.00 0.00 C ATOM 488 O VAL A 37 9.777 6.432 -12.548 1.00 0.00 O ATOM 489 CB VAL A 37 9.727 3.449 -11.494 1.00 0.00 C ATOM 490 CG1 VAL A 37 10.737 3.636 -12.628 1.00 0.00 C ATOM 491 CG2 VAL A 37 10.246 2.453 -10.456 1.00 0.00 C ATOM 0 H VAL A 37 8.007 3.643 -9.752 1.00 0.00 H new ATOM 0 HA VAL A 37 10.292 5.149 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 37 8.813 3.039 -11.924 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.967 2.668 -13.074 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.314 4.294 -13.387 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.651 4.079 -12.232 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.485 1.509 -10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.143 2.854 -9.983 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.481 2.285 -9.698 1.00 0.00 H new ATOM 501 N SER A 38 7.638 6.071 -11.908 1.00 0.00 N ATOM 502 CA SER A 38 7.081 7.052 -12.824 1.00 0.00 C ATOM 503 C SER A 38 6.982 8.414 -12.134 1.00 0.00 C ATOM 504 O SER A 38 7.257 9.445 -12.746 1.00 0.00 O ATOM 505 CB SER A 38 5.707 6.613 -13.332 1.00 0.00 C ATOM 506 OG SER A 38 5.735 6.265 -14.714 1.00 0.00 O ATOM 0 H SER A 38 6.950 5.587 -11.332 1.00 0.00 H new ATOM 0 HA SER A 38 7.746 7.135 -13.683 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.361 5.759 -12.750 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.988 7.417 -13.175 1.00 0.00 H new ATOM 0 HG SER A 38 4.839 5.989 -15.000 1.00 0.00 H new ATOM 512 N MET A 39 6.589 8.374 -10.869 1.00 0.00 N ATOM 513 CA MET A 39 6.450 9.592 -10.090 1.00 0.00 C ATOM 514 C MET A 39 7.744 10.408 -10.112 1.00 0.00 C ATOM 515 O MET A 39 7.716 11.629 -9.965 1.00 0.00 O ATOM 516 CB MET A 39 6.094 9.237 -8.645 1.00 0.00 C ATOM 517 CG MET A 39 4.602 8.926 -8.508 1.00 0.00 C ATOM 518 SD MET A 39 4.120 8.996 -6.791 1.00 0.00 S ATOM 519 CE MET A 39 3.729 7.277 -6.509 1.00 0.00 C ATOM 0 H MET A 39 6.363 7.517 -10.365 1.00 0.00 H new ATOM 0 HA MET A 39 5.656 10.194 -10.531 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.680 8.376 -8.324 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.358 10.065 -7.988 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.018 9.641 -9.088 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.389 7.937 -8.914 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.720 7.077 -5.438 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.748 7.053 -6.928 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.480 6.650 -6.989 1.00 0.00 H new ATOM 529 N GLY A 40 8.849 9.700 -10.296 1.00 0.00 N ATOM 530 CA GLY A 40 10.151 10.343 -10.338 1.00 0.00 C ATOM 531 C GLY A 40 11.050 9.835 -9.209 1.00 0.00 C ATOM 532 O GLY A 40 11.814 10.604 -8.626 1.00 0.00 O ATOM 0 H GLY A 40 8.869 8.687 -10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.625 10.150 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.030 11.423 -10.253 1.00 0.00 H new ATOM 536 N PHE A 41 10.930 8.545 -8.934 1.00 0.00 N ATOM 537 CA PHE A 41 11.722 7.926 -7.885 1.00 0.00 C ATOM 538 C PHE A 41 12.707 6.911 -8.468 1.00 0.00 C ATOM 539 O PHE A 41 12.827 6.786 -9.685 1.00 0.00 O ATOM 540 CB PHE A 41 10.746 7.199 -6.957 1.00 0.00 C ATOM 541 CG PHE A 41 10.051 8.112 -5.946 1.00 0.00 C ATOM 542 CD1 PHE A 41 10.616 8.332 -4.728 1.00 0.00 C ATOM 543 CD2 PHE A 41 8.868 8.703 -6.263 1.00 0.00 C ATOM 544 CE1 PHE A 41 9.971 9.180 -3.789 1.00 0.00 C ATOM 545 CE2 PHE A 41 8.223 9.550 -5.324 1.00 0.00 C ATOM 546 CZ PHE A 41 8.788 9.771 -4.107 1.00 0.00 C ATOM 0 H PHE A 41 10.296 7.911 -9.420 1.00 0.00 H new ATOM 0 HA PHE A 41 12.297 8.686 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.988 6.701 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.285 6.421 -6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.555 7.862 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.419 8.528 -7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.420 9.356 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.283 10.019 -5.576 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.297 10.416 -3.393 1.00 0.00 H new ATOM 556 N SER A 42 13.386 6.210 -7.571 1.00 0.00 N ATOM 557 CA SER A 42 14.356 5.210 -7.981 1.00 0.00 C ATOM 558 C SER A 42 13.763 3.809 -7.818 1.00 0.00 C ATOM 559 O SER A 42 13.428 3.398 -6.708 1.00 0.00 O ATOM 560 CB SER A 42 15.651 5.335 -7.176 1.00 0.00 C ATOM 561 OG SER A 42 15.853 6.661 -6.694 1.00 0.00 O ATOM 0 H SER A 42 13.283 6.315 -6.562 1.00 0.00 H new ATOM 0 HA SER A 42 14.596 5.377 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.623 4.643 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.496 5.043 -7.800 1.00 0.00 H new ATOM 0 HG SER A 42 15.713 6.681 -5.724 1.00 0.00 H new ATOM 567 N GLN A 43 13.652 3.113 -8.940 1.00 0.00 N ATOM 568 CA GLN A 43 13.106 1.767 -8.936 1.00 0.00 C ATOM 569 C GLN A 43 13.576 1.008 -7.693 1.00 0.00 C ATOM 570 O GLN A 43 12.761 0.582 -6.876 1.00 0.00 O ATOM 571 CB GLN A 43 13.486 1.017 -10.213 1.00 0.00 C ATOM 572 CG GLN A 43 12.870 -0.384 -10.231 1.00 0.00 C ATOM 573 CD GLN A 43 13.454 -1.226 -11.367 1.00 0.00 C ATOM 574 OE1 GLN A 43 14.634 -1.168 -11.674 1.00 0.00 O ATOM 575 NE2 GLN A 43 12.566 -2.009 -11.972 1.00 0.00 N ATOM 0 H GLN A 43 13.931 3.457 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 43 12.019 1.837 -8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.146 1.579 -11.083 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.571 0.942 -10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.053 -0.878 -9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.789 -0.308 -10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.593 -2.009 -11.665 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.857 -2.610 -12.743 1.00 0.00 H new ATOM 584 N LEU A 44 14.889 0.861 -7.590 1.00 0.00 N ATOM 585 CA LEU A 44 15.477 0.161 -6.461 1.00 0.00 C ATOM 586 C LEU A 44 14.725 0.539 -5.183 1.00 0.00 C ATOM 587 O LEU A 44 14.284 -0.334 -4.437 1.00 0.00 O ATOM 588 CB LEU A 44 16.982 0.427 -6.390 1.00 0.00 C ATOM 589 CG LEU A 44 17.641 0.193 -5.030 1.00 0.00 C ATOM 590 CD1 LEU A 44 17.799 -1.303 -4.747 1.00 0.00 C ATOM 591 CD2 LEU A 44 18.974 0.938 -4.930 1.00 0.00 C ATOM 0 H LEU A 44 15.562 1.215 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 44 15.373 -0.917 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 44 17.478 -0.206 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.163 1.460 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 44 16.986 0.600 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 18.270 -1.441 -3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.818 -1.779 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 44 18.421 -1.756 -5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.421 0.754 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 44 19.648 0.584 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.804 2.007 -5.056 1.00 0.00 H new ATOM 603 N HIS A 45 14.602 1.841 -4.971 1.00 0.00 N ATOM 604 CA HIS A 45 13.910 2.345 -3.796 1.00 0.00 C ATOM 605 C HIS A 45 12.416 2.040 -3.910 1.00 0.00 C ATOM 606 O HIS A 45 11.813 1.514 -2.975 1.00 0.00 O ATOM 607 CB HIS A 45 14.197 3.834 -3.594 1.00 0.00 C ATOM 608 CG HIS A 45 15.641 4.217 -3.815 1.00 0.00 C ATOM 609 ND1 HIS A 45 16.030 5.489 -4.196 1.00 0.00 N ATOM 610 CD2 HIS A 45 16.785 3.482 -3.705 1.00 0.00 C ATOM 611 CE1 HIS A 45 17.350 5.508 -4.307 1.00 0.00 C ATOM 612 NE2 HIS A 45 17.816 4.263 -4.003 1.00 0.00 N ATOM 0 H HIS A 45 14.969 2.562 -5.592 1.00 0.00 H new ATOM 0 HA HIS A 45 14.282 1.838 -2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 45 13.571 4.410 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 45 13.908 4.115 -2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 45 16.842 2.441 -3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 45 17.951 6.360 -4.589 1.00 0.00 H new ATOM 0 HE2 HIS A 45 18.796 3.979 -4.004 1.00 0.00 H new ATOM 620 N CYS A 46 11.860 2.382 -5.063 1.00 0.00 N ATOM 621 CA CYS A 46 10.447 2.151 -5.311 1.00 0.00 C ATOM 622 C CYS A 46 10.113 0.720 -4.887 1.00 0.00 C ATOM 623 O CYS A 46 8.994 0.441 -4.458 1.00 0.00 O ATOM 624 CB CYS A 46 10.079 2.414 -6.773 1.00 0.00 C ATOM 625 SG CYS A 46 10.410 4.164 -7.196 1.00 0.00 S ATOM 0 H CYS A 46 12.363 2.818 -5.836 1.00 0.00 H new ATOM 0 HA CYS A 46 9.853 2.851 -4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.655 1.758 -7.425 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.027 2.184 -6.939 1.00 0.00 H new ATOM 0 HG CYS A 46 11.110 4.221 -8.290 1.00 0.00 H new ATOM 631 N GLN A 47 11.103 -0.150 -5.022 1.00 0.00 N ATOM 632 CA GLN A 47 10.928 -1.546 -4.658 1.00 0.00 C ATOM 633 C GLN A 47 10.946 -1.704 -3.137 1.00 0.00 C ATOM 634 O GLN A 47 9.976 -2.176 -2.546 1.00 0.00 O ATOM 635 CB GLN A 47 11.998 -2.422 -5.314 1.00 0.00 C ATOM 636 CG GLN A 47 11.834 -2.441 -6.835 1.00 0.00 C ATOM 637 CD GLN A 47 12.521 -3.665 -7.444 1.00 0.00 C ATOM 638 OE1 GLN A 47 11.918 -4.701 -7.667 1.00 0.00 O ATOM 639 NE2 GLN A 47 13.814 -3.487 -7.701 1.00 0.00 N ATOM 0 H GLN A 47 12.029 0.085 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 47 9.958 -1.879 -5.026 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.988 -2.047 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.930 -3.438 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.774 -2.449 -7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.257 -1.532 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.258 -2.593 -7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.362 -4.244 -8.109 1.00 0.00 H new ATOM 648 N LYS A 48 12.061 -1.300 -2.545 1.00 0.00 N ATOM 649 CA LYS A 48 12.218 -1.391 -1.104 1.00 0.00 C ATOM 650 C LYS A 48 10.991 -0.783 -0.421 1.00 0.00 C ATOM 651 O LYS A 48 10.340 -1.437 0.392 1.00 0.00 O ATOM 652 CB LYS A 48 13.541 -0.758 -0.668 1.00 0.00 C ATOM 653 CG LYS A 48 14.728 -1.638 -1.068 1.00 0.00 C ATOM 654 CD LYS A 48 16.055 -0.958 -0.725 1.00 0.00 C ATOM 655 CE LYS A 48 17.196 -1.976 -0.678 1.00 0.00 C ATOM 656 NZ LYS A 48 18.015 -1.780 0.540 1.00 0.00 N ATOM 0 H LYS A 48 12.864 -0.909 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 48 12.272 -2.434 -0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.644 0.227 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.540 -0.612 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.663 -2.597 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.687 -1.846 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.277 -0.191 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.972 -0.455 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.790 -2.987 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.821 -1.872 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.733 -2.530 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.486 -0.854 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.403 -1.818 1.380 1.00 0.00 H new ATOM 670 N ALA A 49 10.713 0.463 -0.778 1.00 0.00 N ATOM 671 CA ALA A 49 9.576 1.167 -0.210 1.00 0.00 C ATOM 672 C ALA A 49 8.365 0.233 -0.183 1.00 0.00 C ATOM 673 O ALA A 49 7.934 -0.200 0.885 1.00 0.00 O ATOM 674 CB ALA A 49 9.311 2.441 -1.014 1.00 0.00 C ATOM 0 H ALA A 49 11.255 1.002 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 49 9.784 1.467 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.458 2.969 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.191 3.084 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.095 2.179 -2.050 1.00 0.00 H new ATOM 680 N ALA A 50 7.849 -0.051 -1.370 1.00 0.00 N ATOM 681 CA ALA A 50 6.696 -0.926 -1.496 1.00 0.00 C ATOM 682 C ALA A 50 6.887 -2.146 -0.594 1.00 0.00 C ATOM 683 O ALA A 50 6.091 -2.382 0.314 1.00 0.00 O ATOM 684 CB ALA A 50 6.505 -1.311 -2.965 1.00 0.00 C ATOM 0 H ALA A 50 8.209 0.310 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 50 5.789 -0.415 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.640 -1.967 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.344 -0.411 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.394 -1.829 -3.324 1.00 0.00 H new ATOM 690 N ILE A 51 7.946 -2.891 -0.875 1.00 0.00 N ATOM 691 CA ILE A 51 8.251 -4.082 -0.100 1.00 0.00 C ATOM 692 C ILE A 51 8.128 -3.760 1.391 1.00 0.00 C ATOM 693 O ILE A 51 7.388 -4.425 2.114 1.00 0.00 O ATOM 694 CB ILE A 51 9.617 -4.644 -0.497 1.00 0.00 C ATOM 695 CG1 ILE A 51 9.603 -5.152 -1.940 1.00 0.00 C ATOM 696 CG2 ILE A 51 10.072 -5.724 0.487 1.00 0.00 C ATOM 697 CD1 ILE A 51 10.959 -5.746 -2.325 1.00 0.00 C ATOM 0 H ILE A 51 8.604 -2.693 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 51 7.532 -4.872 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 51 10.346 -3.836 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.825 -5.907 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.356 -4.333 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.046 -6.107 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.147 -5.297 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.348 -6.538 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.922 -6.100 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.731 -4.982 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.192 -6.580 -1.663 1.00 0.00 H new ATOM 709 N ASN A 52 8.864 -2.740 1.806 1.00 0.00 N ATOM 710 CA ASN A 52 8.847 -2.322 3.198 1.00 0.00 C ATOM 711 C ASN A 52 7.397 -2.198 3.671 1.00 0.00 C ATOM 712 O ASN A 52 7.096 -2.460 4.834 1.00 0.00 O ATOM 713 CB ASN A 52 9.518 -0.958 3.371 1.00 0.00 C ATOM 714 CG ASN A 52 10.973 -1.116 3.817 1.00 0.00 C ATOM 715 OD1 ASN A 52 11.282 -1.217 4.993 1.00 0.00 O ATOM 716 ND2 ASN A 52 11.848 -1.131 2.815 1.00 0.00 N ATOM 0 H ASN A 52 9.476 -2.190 1.203 1.00 0.00 H new ATOM 0 HA ASN A 52 9.388 -3.067 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.480 -0.408 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.970 -0.370 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.844 -1.232 3.009 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.523 -1.042 1.852 1.00 0.00 H new ATOM 723 N THR A 53 6.538 -1.800 2.744 1.00 0.00 N ATOM 724 CA THR A 53 5.127 -1.639 3.052 1.00 0.00 C ATOM 725 C THR A 53 4.308 -2.753 2.397 1.00 0.00 C ATOM 726 O THR A 53 3.131 -2.565 2.091 1.00 0.00 O ATOM 727 CB THR A 53 4.705 -0.235 2.612 1.00 0.00 C ATOM 728 OG1 THR A 53 4.638 -0.322 1.192 1.00 0.00 O ATOM 729 CG2 THR A 53 5.790 0.811 2.872 1.00 0.00 C ATOM 0 H THR A 53 6.792 -1.584 1.780 1.00 0.00 H new ATOM 0 HA THR A 53 4.942 -1.729 4.122 1.00 0.00 H new ATOM 0 HB THR A 53 3.793 0.051 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.307 -0.962 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.439 1.789 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.013 0.847 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.692 0.544 2.321 1.00 0.00 H new ATOM 737 N SER A 54 4.962 -3.888 2.201 1.00 0.00 N ATOM 738 CA SER A 54 4.309 -5.032 1.589 1.00 0.00 C ATOM 739 C SER A 54 3.481 -4.579 0.385 1.00 0.00 C ATOM 740 O SER A 54 2.482 -5.209 0.042 1.00 0.00 O ATOM 741 CB SER A 54 3.423 -5.766 2.597 1.00 0.00 C ATOM 742 OG SER A 54 3.837 -7.116 2.789 1.00 0.00 O ATOM 0 H SER A 54 5.938 -4.040 2.455 1.00 0.00 H new ATOM 0 HA SER A 54 5.079 -5.726 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.448 -5.240 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.390 -5.750 2.251 1.00 0.00 H new ATOM 0 HG SER A 54 3.247 -7.549 3.441 1.00 0.00 H new ATOM 748 N ASN A 55 3.927 -3.490 -0.224 1.00 0.00 N ATOM 749 CA ASN A 55 3.240 -2.945 -1.382 1.00 0.00 C ATOM 750 C ASN A 55 1.762 -2.738 -1.042 1.00 0.00 C ATOM 751 O ASN A 55 0.894 -2.925 -1.893 1.00 0.00 O ATOM 752 CB ASN A 55 3.321 -3.904 -2.572 1.00 0.00 C ATOM 753 CG ASN A 55 4.273 -5.065 -2.277 1.00 0.00 C ATOM 754 OD1 ASN A 55 3.870 -6.201 -2.090 1.00 0.00 O ATOM 755 ND2 ASN A 55 5.557 -4.717 -2.246 1.00 0.00 N ATOM 0 H ASN A 55 4.756 -2.970 0.063 1.00 0.00 H new ATOM 0 HA ASN A 55 3.719 -2.002 -1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.328 -4.292 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.662 -3.365 -3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.271 -5.420 -2.057 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.827 -3.747 -2.411 1.00 0.00 H new ATOM 762 N ALA A 56 1.523 -2.355 0.203 1.00 0.00 N ATOM 763 CA ALA A 56 0.166 -2.120 0.666 1.00 0.00 C ATOM 764 C ALA A 56 -0.531 -1.144 -0.284 1.00 0.00 C ATOM 765 O ALA A 56 -1.690 -1.343 -0.644 1.00 0.00 O ATOM 766 CB ALA A 56 0.199 -1.608 2.107 1.00 0.00 C ATOM 0 H ALA A 56 2.246 -2.201 0.906 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.406 -3.048 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.819 -1.432 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.677 -2.351 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.763 -0.676 2.149 1.00 0.00 H new ATOM 772 N GLY A 57 0.206 -0.109 -0.662 1.00 0.00 N ATOM 773 CA GLY A 57 -0.327 0.899 -1.563 1.00 0.00 C ATOM 774 C GLY A 57 0.778 1.840 -2.047 1.00 0.00 C ATOM 775 O GLY A 57 1.799 2.000 -1.380 1.00 0.00 O ATOM 0 H GLY A 57 1.167 0.053 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.798 0.415 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.102 1.473 -1.055 1.00 0.00 H new ATOM 779 N VAL A 58 0.536 2.439 -3.204 1.00 0.00 N ATOM 780 CA VAL A 58 1.498 3.360 -3.785 1.00 0.00 C ATOM 781 C VAL A 58 1.860 4.430 -2.753 1.00 0.00 C ATOM 782 O VAL A 58 3.023 4.814 -2.634 1.00 0.00 O ATOM 783 CB VAL A 58 0.942 3.947 -5.084 1.00 0.00 C ATOM 784 CG1 VAL A 58 1.768 5.152 -5.539 1.00 0.00 C ATOM 785 CG2 VAL A 58 0.875 2.882 -6.181 1.00 0.00 C ATOM 0 H VAL A 58 -0.312 2.304 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 58 2.417 2.837 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.073 4.292 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.352 5.550 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.742 5.923 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.799 4.843 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.476 3.325 -7.094 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.875 2.494 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.225 2.068 -5.859 1.00 0.00 H new ATOM 795 N GLU A 59 0.843 4.882 -2.034 1.00 0.00 N ATOM 796 CA GLU A 59 1.040 5.900 -1.016 1.00 0.00 C ATOM 797 C GLU A 59 1.959 5.375 0.089 1.00 0.00 C ATOM 798 O GLU A 59 2.851 6.085 0.550 1.00 0.00 O ATOM 799 CB GLU A 59 -0.299 6.366 -0.441 1.00 0.00 C ATOM 800 CG GLU A 59 -0.678 5.551 0.797 1.00 0.00 C ATOM 801 CD GLU A 59 -2.069 5.937 1.303 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.182 7.055 1.852 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.987 5.107 1.131 1.00 0.00 O ATOM 0 H GLU A 59 -0.120 4.562 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 59 1.519 6.763 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.239 7.423 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.078 6.268 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.656 4.488 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.058 5.715 1.584 1.00 0.00 H new ATOM 810 N GLU A 60 1.708 4.135 0.483 1.00 0.00 N ATOM 811 CA GLU A 60 2.502 3.506 1.526 1.00 0.00 C ATOM 812 C GLU A 60 3.964 3.401 1.089 1.00 0.00 C ATOM 813 O GLU A 60 4.865 3.814 1.819 1.00 0.00 O ATOM 814 CB GLU A 60 1.938 2.131 1.890 1.00 0.00 C ATOM 815 CG GLU A 60 1.073 2.209 3.149 1.00 0.00 C ATOM 816 CD GLU A 60 1.506 1.161 4.177 1.00 0.00 C ATOM 817 OE1 GLU A 60 1.664 -0.008 3.764 1.00 0.00 O ATOM 818 OE2 GLU A 60 1.669 1.553 5.353 1.00 0.00 O ATOM 0 H GLU A 60 0.967 3.549 0.099 1.00 0.00 H new ATOM 0 HA GLU A 60 2.454 4.130 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.345 1.746 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.756 1.429 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.149 3.205 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.027 2.055 2.886 1.00 0.00 H new ATOM 825 N ALA A 61 4.156 2.846 -0.098 1.00 0.00 N ATOM 826 CA ALA A 61 5.494 2.682 -0.641 1.00 0.00 C ATOM 827 C ALA A 61 6.225 4.026 -0.600 1.00 0.00 C ATOM 828 O ALA A 61 7.284 4.142 0.015 1.00 0.00 O ATOM 829 CB ALA A 61 5.404 2.110 -2.057 1.00 0.00 C ATOM 0 H ALA A 61 3.407 2.504 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 61 6.068 1.976 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.408 1.987 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.903 1.142 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.837 2.793 -2.690 1.00 0.00 H new ATOM 835 N MET A 62 5.630 5.007 -1.262 1.00 0.00 N ATOM 836 CA MET A 62 6.211 6.338 -1.309 1.00 0.00 C ATOM 837 C MET A 62 6.487 6.866 0.100 1.00 0.00 C ATOM 838 O MET A 62 7.606 7.278 0.404 1.00 0.00 O ATOM 839 CB MET A 62 5.254 7.288 -2.031 1.00 0.00 C ATOM 840 CG MET A 62 6.023 8.286 -2.899 1.00 0.00 C ATOM 841 SD MET A 62 4.958 9.642 -3.360 1.00 0.00 S ATOM 842 CE MET A 62 5.340 10.795 -2.051 1.00 0.00 C ATOM 0 H MET A 62 4.751 4.907 -1.770 1.00 0.00 H new ATOM 0 HA MET A 62 7.157 6.282 -1.848 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.567 6.714 -2.653 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.650 7.826 -1.300 1.00 0.00 H new ATOM 0 HG2 MET A 62 6.889 8.662 -2.355 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.400 7.789 -3.793 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.432 11.317 -1.749 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.748 10.254 -1.197 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.073 11.519 -2.406 1.00 0.00 H new ATOM 852 N ASN A 63 5.449 6.835 0.923 1.00 0.00 N ATOM 853 CA ASN A 63 5.566 7.305 2.293 1.00 0.00 C ATOM 854 C ASN A 63 6.872 6.784 2.897 1.00 0.00 C ATOM 855 O ASN A 63 7.605 7.533 3.541 1.00 0.00 O ATOM 856 CB ASN A 63 4.409 6.792 3.152 1.00 0.00 C ATOM 857 CG ASN A 63 3.608 7.953 3.744 1.00 0.00 C ATOM 858 OD1 ASN A 63 4.080 9.072 3.860 1.00 0.00 O ATOM 859 ND2 ASN A 63 2.372 7.626 4.110 1.00 0.00 N ATOM 0 H ASN A 63 4.523 6.492 0.667 1.00 0.00 H new ATOM 0 HA ASN A 63 5.548 8.395 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.754 6.164 2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.798 6.167 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.757 8.331 4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.039 6.670 3.985 1.00 0.00 H new ATOM 866 N TRP A 64 7.123 5.504 2.667 1.00 0.00 N ATOM 867 CA TRP A 64 8.327 4.873 3.181 1.00 0.00 C ATOM 868 C TRP A 64 9.533 5.582 2.560 1.00 0.00 C ATOM 869 O TRP A 64 10.501 5.890 3.254 1.00 0.00 O ATOM 870 CB TRP A 64 8.315 3.367 2.912 1.00 0.00 C ATOM 871 CG TRP A 64 9.528 2.625 3.476 1.00 0.00 C ATOM 872 CD1 TRP A 64 9.616 1.940 4.624 1.00 0.00 C ATOM 873 CD2 TRP A 64 10.832 2.519 2.866 1.00 0.00 C ATOM 874 NE1 TRP A 64 10.875 1.403 4.798 1.00 0.00 N ATOM 875 CE2 TRP A 64 11.638 1.767 3.695 1.00 0.00 C ATOM 876 CE3 TRP A 64 11.313 3.043 1.653 1.00 0.00 C ATOM 877 CZ2 TRP A 64 12.974 1.470 3.401 1.00 0.00 C ATOM 878 CZ3 TRP A 64 12.651 2.737 1.374 1.00 0.00 C ATOM 879 CH2 TRP A 64 13.476 1.981 2.198 1.00 0.00 C ATOM 0 H TRP A 64 6.513 4.886 2.131 1.00 0.00 H new ATOM 0 HA TRP A 64 8.383 4.974 4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.409 2.939 3.340 1.00 0.00 H new ATOM 0 HB3 TRP A 64 8.268 3.201 1.836 1.00 0.00 H new ATOM 0 HD1 TRP A 64 8.803 1.823 5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 64 11.188 0.842 5.590 1.00 0.00 H new ATOM 0 HE3 TRP A 64 10.700 3.634 0.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 13.585 0.878 4.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 13.071 3.115 0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 64 14.499 1.789 1.912 1.00 0.00 H new ATOM 890 N LEU A 65 9.435 5.819 1.260 1.00 0.00 N ATOM 891 CA LEU A 65 10.505 6.486 0.538 1.00 0.00 C ATOM 892 C LEU A 65 10.756 7.860 1.162 1.00 0.00 C ATOM 893 O LEU A 65 11.904 8.257 1.355 1.00 0.00 O ATOM 894 CB LEU A 65 10.191 6.537 -0.958 1.00 0.00 C ATOM 895 CG LEU A 65 10.461 5.252 -1.745 1.00 0.00 C ATOM 896 CD1 LEU A 65 9.216 4.809 -2.515 1.00 0.00 C ATOM 897 CD2 LEU A 65 11.674 5.416 -2.662 1.00 0.00 C ATOM 0 H LEU A 65 8.631 5.561 0.688 1.00 0.00 H new ATOM 0 HA LEU A 65 11.434 5.922 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.140 6.800 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.775 7.342 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 65 10.699 4.460 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.435 3.894 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.401 4.625 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.923 5.592 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.844 4.489 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.490 6.226 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.554 5.650 -2.063 1.00 0.00 H new ATOM 909 N LEU A 66 9.664 8.549 1.458 1.00 0.00 N ATOM 910 CA LEU A 66 9.751 9.870 2.055 1.00 0.00 C ATOM 911 C LEU A 66 10.368 9.755 3.450 1.00 0.00 C ATOM 912 O LEU A 66 10.733 10.761 4.057 1.00 0.00 O ATOM 913 CB LEU A 66 8.383 10.555 2.043 1.00 0.00 C ATOM 914 CG LEU A 66 7.619 10.504 0.718 1.00 0.00 C ATOM 915 CD1 LEU A 66 6.271 11.219 0.834 1.00 0.00 C ATOM 916 CD2 LEU A 66 8.467 11.062 -0.426 1.00 0.00 C ATOM 0 H LEU A 66 8.714 8.217 1.295 1.00 0.00 H new ATOM 0 HA LEU A 66 10.408 10.511 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.763 10.098 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.520 11.600 2.321 1.00 0.00 H new ATOM 0 HG LEU A 66 7.411 9.460 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.749 11.168 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.668 10.736 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.435 12.263 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.900 11.014 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.728 12.099 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.378 10.472 -0.525 1.00 0.00 H new ATOM 928 N SER A 67 10.467 8.520 3.919 1.00 0.00 N ATOM 929 CA SER A 67 11.034 8.260 5.231 1.00 0.00 C ATOM 930 C SER A 67 12.358 7.506 5.089 1.00 0.00 C ATOM 931 O SER A 67 13.109 7.377 6.055 1.00 0.00 O ATOM 932 CB SER A 67 10.061 7.465 6.104 1.00 0.00 C ATOM 933 OG SER A 67 9.373 8.298 7.032 1.00 0.00 O ATOM 0 H SER A 67 10.164 7.688 3.413 1.00 0.00 H new ATOM 0 HA SER A 67 11.219 9.217 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.337 6.956 5.468 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.608 6.693 6.646 1.00 0.00 H new ATOM 0 HG SER A 67 8.761 7.753 7.569 1.00 0.00 H new ATOM 939 N HIS A 68 12.603 7.028 3.878 1.00 0.00 N ATOM 940 CA HIS A 68 13.823 6.291 3.598 1.00 0.00 C ATOM 941 C HIS A 68 14.494 6.865 2.348 1.00 0.00 C ATOM 942 O HIS A 68 15.179 6.147 1.622 1.00 0.00 O ATOM 943 CB HIS A 68 13.537 4.792 3.482 1.00 0.00 C ATOM 944 CG HIS A 68 13.289 4.110 4.806 1.00 0.00 C ATOM 945 ND1 HIS A 68 14.040 3.034 5.247 1.00 0.00 N ATOM 946 CD2 HIS A 68 12.368 4.362 5.779 1.00 0.00 C ATOM 947 CE1 HIS A 68 13.581 2.663 6.434 1.00 0.00 C ATOM 948 NE2 HIS A 68 12.545 3.487 6.761 1.00 0.00 N ATOM 0 H HIS A 68 11.977 7.137 3.080 1.00 0.00 H new ATOM 0 HA HIS A 68 14.521 6.406 4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.667 4.647 2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.380 4.309 2.988 1.00 0.00 H new ATOM 0 HD1 HIS A 68 14.814 2.601 4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.621 5.142 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.961 1.851 7.036 1.00 0.00 H new ATOM 956 N MET A 69 14.274 8.154 2.137 1.00 0.00 N ATOM 957 CA MET A 69 14.848 8.833 0.988 1.00 0.00 C ATOM 958 C MET A 69 16.315 9.189 1.239 1.00 0.00 C ATOM 959 O MET A 69 17.165 8.978 0.376 1.00 0.00 O ATOM 960 CB MET A 69 14.055 10.109 0.699 1.00 0.00 C ATOM 961 CG MET A 69 13.242 9.969 -0.589 1.00 0.00 C ATOM 962 SD MET A 69 14.249 10.408 -1.997 1.00 0.00 S ATOM 963 CE MET A 69 13.463 9.422 -3.260 1.00 0.00 C ATOM 0 H MET A 69 13.706 8.746 2.743 1.00 0.00 H new ATOM 0 HA MET A 69 14.797 8.162 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.387 10.323 1.533 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.738 10.954 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.883 8.945 -0.693 1.00 0.00 H new ATOM 0 HG3 MET A 69 12.363 10.612 -0.546 1.00 0.00 H new ATOM 0 HE1 MET A 69 14.204 8.775 -3.730 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.680 8.811 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 69 13.024 10.077 -4.013 1.00 0.00 H new ATOM 973 N ASP A 70 16.566 9.724 2.425 1.00 0.00 N ATOM 974 CA ASP A 70 17.916 10.111 2.800 1.00 0.00 C ATOM 975 C ASP A 70 18.493 9.069 3.760 1.00 0.00 C ATOM 976 O ASP A 70 18.787 9.378 4.914 1.00 0.00 O ATOM 977 CB ASP A 70 17.922 11.465 3.513 1.00 0.00 C ATOM 978 CG ASP A 70 17.911 12.683 2.588 1.00 0.00 C ATOM 979 OD1 ASP A 70 19.020 13.115 2.205 1.00 0.00 O ATOM 980 OD2 ASP A 70 16.795 13.155 2.283 1.00 0.00 O ATOM 0 H ASP A 70 15.858 9.899 3.138 1.00 0.00 H new ATOM 0 HA ASP A 70 18.512 10.179 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.053 11.517 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 70 18.805 11.519 4.150 1.00 0.00 H new ATOM 985 N ASP A 71 18.637 7.855 3.248 1.00 0.00 N ATOM 986 CA ASP A 71 19.174 6.766 4.046 1.00 0.00 C ATOM 987 C ASP A 71 20.246 6.030 3.240 1.00 0.00 C ATOM 988 O ASP A 71 20.241 6.071 2.011 1.00 0.00 O ATOM 989 CB ASP A 71 18.080 5.759 4.409 1.00 0.00 C ATOM 990 CG ASP A 71 17.594 5.827 5.858 1.00 0.00 C ATOM 991 OD1 ASP A 71 18.452 5.669 6.753 1.00 0.00 O ATOM 992 OD2 ASP A 71 16.374 6.036 6.038 1.00 0.00 O ATOM 0 H ASP A 71 18.391 7.602 2.291 1.00 0.00 H new ATOM 0 HA ASP A 71 19.592 7.190 4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.228 5.917 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.453 4.754 4.213 1.00 0.00 H new ATOM 997 N PRO A 72 21.162 5.355 3.985 1.00 0.00 N ATOM 998 CA PRO A 72 22.238 4.610 3.352 1.00 0.00 C ATOM 999 C PRO A 72 21.719 3.305 2.746 1.00 0.00 C ATOM 1000 O PRO A 72 22.251 2.827 1.745 1.00 0.00 O ATOM 1001 CB PRO A 72 23.262 4.388 4.453 1.00 0.00 C ATOM 1002 CG PRO A 72 22.521 4.605 5.762 1.00 0.00 C ATOM 1003 CD PRO A 72 21.198 5.283 5.442 1.00 0.00 C ATOM 0 HA PRO A 72 22.684 5.145 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.678 3.382 4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 72 24.096 5.083 4.357 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.350 3.654 6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 72 23.113 5.222 6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.356 4.711 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 72 21.143 6.276 5.889 1.00 0.00 H new ATOM 1011 N ASP A 73 20.687 2.766 3.377 1.00 0.00 N ATOM 1012 CA ASP A 73 20.090 1.525 2.912 1.00 0.00 C ATOM 1013 C ASP A 73 19.442 1.757 1.546 1.00 0.00 C ATOM 1014 O ASP A 73 19.519 0.901 0.665 1.00 0.00 O ATOM 1015 CB ASP A 73 19.003 1.042 3.875 1.00 0.00 C ATOM 1016 CG ASP A 73 19.290 1.300 5.355 1.00 0.00 C ATOM 1017 OD1 ASP A 73 20.480 1.509 5.675 1.00 0.00 O ATOM 1018 OD2 ASP A 73 18.312 1.283 6.134 1.00 0.00 O ATOM 0 H ASP A 73 20.248 3.166 4.207 1.00 0.00 H new ATOM 0 HA ASP A 73 20.877 0.774 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.064 1.528 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 73 18.859 -0.029 3.729 1.00 0.00 H new ATOM 1023 N ILE A 74 18.820 2.919 1.411 1.00 0.00 N ATOM 1024 CA ILE A 74 18.159 3.274 0.166 1.00 0.00 C ATOM 1025 C ILE A 74 19.100 2.986 -1.006 1.00 0.00 C ATOM 1026 O ILE A 74 18.649 2.754 -2.126 1.00 0.00 O ATOM 1027 CB ILE A 74 17.663 4.720 0.216 1.00 0.00 C ATOM 1028 CG1 ILE A 74 16.380 4.888 -0.599 1.00 0.00 C ATOM 1029 CG2 ILE A 74 18.758 5.691 -0.231 1.00 0.00 C ATOM 1030 CD1 ILE A 74 15.226 4.101 0.025 1.00 0.00 C ATOM 0 H ILE A 74 18.760 3.627 2.143 1.00 0.00 H new ATOM 0 HA ILE A 74 17.269 2.662 0.019 1.00 0.00 H new ATOM 0 HB ILE A 74 17.421 4.962 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.116 5.944 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.547 4.547 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.379 6.712 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 74 19.621 5.595 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.055 5.459 -1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.326 4.238 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.483 3.042 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.046 4.461 1.038 1.00 0.00 H new ATOM 1042 N ASP A 75 20.390 3.011 -0.707 1.00 0.00 N ATOM 1043 CA ASP A 75 21.399 2.756 -1.721 1.00 0.00 C ATOM 1044 C ASP A 75 21.731 1.263 -1.740 1.00 0.00 C ATOM 1045 O ASP A 75 22.017 0.700 -2.796 1.00 0.00 O ATOM 1046 CB ASP A 75 22.688 3.524 -1.422 1.00 0.00 C ATOM 1047 CG ASP A 75 23.035 4.623 -2.428 1.00 0.00 C ATOM 1048 OD1 ASP A 75 22.082 5.156 -3.036 1.00 0.00 O ATOM 1049 OD2 ASP A 75 24.245 4.906 -2.565 1.00 0.00 O ATOM 0 H ASP A 75 20.760 3.204 0.224 1.00 0.00 H new ATOM 0 HA ASP A 75 21.001 3.082 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 75 22.605 3.972 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 75 23.515 2.815 -1.382 1.00 0.00 H new ATOM 1054 N ALA A 76 21.683 0.664 -0.559 1.00 0.00 N ATOM 1055 CA ALA A 76 21.975 -0.753 -0.427 1.00 0.00 C ATOM 1056 C ALA A 76 21.057 -1.548 -1.357 1.00 0.00 C ATOM 1057 O ALA A 76 19.906 -1.170 -1.570 1.00 0.00 O ATOM 1058 CB ALA A 76 21.826 -1.171 1.037 1.00 0.00 C ATOM 0 H ALA A 76 21.446 1.134 0.315 1.00 0.00 H new ATOM 0 HA ALA A 76 23.003 -0.962 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 76 22.045 -2.234 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.521 -0.599 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.806 -0.978 1.368 1.00 0.00 H new ATOM 1064 N PRO A 77 21.614 -2.664 -1.900 1.00 0.00 N ATOM 1065 CA PRO A 77 20.858 -3.515 -2.802 1.00 0.00 C ATOM 1066 C PRO A 77 19.837 -4.357 -2.034 1.00 0.00 C ATOM 1067 O PRO A 77 20.040 -4.669 -0.862 1.00 0.00 O ATOM 1068 CB PRO A 77 21.902 -4.356 -3.518 1.00 0.00 C ATOM 1069 CG PRO A 77 23.158 -4.276 -2.665 1.00 0.00 C ATOM 1070 CD PRO A 77 22.974 -3.142 -1.670 1.00 0.00 C ATOM 0 HA PRO A 77 20.265 -2.946 -3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 77 21.567 -5.388 -3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 77 22.087 -3.976 -4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 77 23.326 -5.218 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 77 24.033 -4.097 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 77 23.103 -3.490 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 77 23.705 -2.350 -1.833 1.00 0.00 H new ATOM 1078 N ILE A 78 18.761 -4.702 -2.727 1.00 0.00 N ATOM 1079 CA ILE A 78 17.708 -5.502 -2.125 1.00 0.00 C ATOM 1080 C ILE A 78 18.212 -6.932 -1.924 1.00 0.00 C ATOM 1081 O ILE A 78 18.158 -7.463 -0.816 1.00 0.00 O ATOM 1082 CB ILE A 78 16.426 -5.412 -2.955 1.00 0.00 C ATOM 1083 CG1 ILE A 78 15.886 -3.980 -2.978 1.00 0.00 C ATOM 1084 CG2 ILE A 78 15.380 -6.411 -2.458 1.00 0.00 C ATOM 1085 CD1 ILE A 78 14.805 -3.819 -4.048 1.00 0.00 C ATOM 0 H ILE A 78 18.596 -4.442 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 78 17.450 -5.113 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 78 16.666 -5.682 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 78 15.476 -3.727 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 78 16.701 -3.283 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.479 -6.326 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.777 -7.423 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.138 -6.197 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 78 14.438 -2.793 -4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.225 -4.050 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.980 -4.500 -3.837 1.00 0.00 H new ATOM 1097 N SER A 79 18.690 -7.516 -3.013 1.00 0.00 N ATOM 1098 CA SER A 79 19.203 -8.875 -2.971 1.00 0.00 C ATOM 1099 C SER A 79 20.205 -9.091 -4.106 1.00 0.00 C ATOM 1100 O SER A 79 19.912 -9.793 -5.072 1.00 0.00 O ATOM 1101 CB SER A 79 18.067 -9.895 -3.064 1.00 0.00 C ATOM 1102 OG SER A 79 17.383 -9.821 -4.312 1.00 0.00 O ATOM 0 H SER A 79 18.733 -7.073 -3.931 1.00 0.00 H new ATOM 0 HA SER A 79 19.709 -9.021 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.470 -10.899 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.360 -9.725 -2.252 1.00 0.00 H new ATOM 0 HG SER A 79 18.036 -9.814 -5.043 1.00 0.00 H new ATOM 1108 N GLY A 80 21.368 -8.475 -3.951 1.00 0.00 N ATOM 1109 CA GLY A 80 22.416 -8.592 -4.951 1.00 0.00 C ATOM 1110 C GLY A 80 23.756 -8.098 -4.401 1.00 0.00 C ATOM 1111 O GLY A 80 23.818 -7.054 -3.754 1.00 0.00 O ATOM 0 H GLY A 80 21.608 -7.893 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 80 22.509 -9.631 -5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.146 -8.014 -5.835 1.00 0.00 H new ATOM 1115 N PRO A 81 24.822 -8.891 -4.688 1.00 0.00 N ATOM 1116 CA PRO A 81 26.157 -8.545 -4.230 1.00 0.00 C ATOM 1117 C PRO A 81 26.742 -7.400 -5.060 1.00 0.00 C ATOM 1118 O PRO A 81 26.095 -6.903 -5.980 1.00 0.00 O ATOM 1119 CB PRO A 81 26.959 -9.831 -4.345 1.00 0.00 C ATOM 1120 CG PRO A 81 26.177 -10.726 -5.294 1.00 0.00 C ATOM 1121 CD PRO A 81 24.786 -10.134 -5.453 1.00 0.00 C ATOM 0 HA PRO A 81 26.167 -8.176 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.960 -9.634 -4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.079 -10.305 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 81 26.678 -10.788 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 81 26.117 -11.741 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 81 24.553 -9.947 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 81 24.022 -10.811 -5.072 1.00 0.00 H new ATOM 1129 N SER A 82 27.959 -7.016 -4.704 1.00 0.00 N ATOM 1130 CA SER A 82 28.638 -5.939 -5.404 1.00 0.00 C ATOM 1131 C SER A 82 30.133 -5.965 -5.080 1.00 0.00 C ATOM 1132 O SER A 82 30.532 -5.677 -3.953 1.00 0.00 O ATOM 1133 CB SER A 82 28.039 -4.580 -5.038 1.00 0.00 C ATOM 1134 OG SER A 82 26.995 -4.198 -5.931 1.00 0.00 O ATOM 0 H SER A 82 28.492 -7.431 -3.940 1.00 0.00 H new ATOM 0 HA SER A 82 28.502 -6.089 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 82 27.650 -4.618 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 82 28.823 -3.823 -5.052 1.00 0.00 H new ATOM 0 HG SER A 82 26.457 -4.984 -6.160 1.00 0.00 H new ATOM 1140 N SER A 83 30.919 -6.312 -6.089 1.00 0.00 N ATOM 1141 CA SER A 83 32.361 -6.379 -5.925 1.00 0.00 C ATOM 1142 C SER A 83 32.881 -5.069 -5.329 1.00 0.00 C ATOM 1143 O SER A 83 32.251 -4.023 -5.474 1.00 0.00 O ATOM 1144 CB SER A 83 33.054 -6.667 -7.258 1.00 0.00 C ATOM 1145 OG SER A 83 32.930 -5.580 -8.171 1.00 0.00 O ATOM 0 H SER A 83 30.584 -6.550 -7.023 1.00 0.00 H new ATOM 0 HA SER A 83 32.590 -7.198 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 83 34.110 -6.873 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 83 32.625 -7.565 -7.703 1.00 0.00 H new ATOM 0 HG SER A 83 33.387 -5.803 -9.009 1.00 0.00 H new ATOM 1151 N GLY A 84 34.027 -5.170 -4.671 1.00 0.00 N ATOM 1152 CA GLY A 84 34.640 -4.006 -4.053 1.00 0.00 C ATOM 1153 C GLY A 84 34.627 -2.809 -5.005 1.00 0.00 C ATOM 1154 O GLY A 84 34.595 -2.980 -6.222 1.00 0.00 O ATOM 0 H GLY A 84 34.547 -6.040 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 84 34.106 -3.753 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 84 35.666 -4.239 -3.770 1.00 0.00 H new TER 1158 GLY A 84