USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 966 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 Single : A 1 MET CE :methyl -159:sc= -0.183 (180deg=-0.734) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.444 (180deg=-0.447) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.36) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 6 MET CE :methyl 160:sc= -0.176 (180deg=-0.693) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0853 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 22 SER OG : rot -34:sc= 0.968 USER MOD Single : A 24 GLN : amide:sc= -0.346 K(o=-0.35,f=0.91) USER MOD Single : A 26 THR OG1 : rot 120:sc= -0.729 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0299 (180deg=-0.258) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0449 (180deg=-0.239) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.09) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= -1.21 (180deg=-3.14!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 54:sc= -1.76 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 50 MET CE :methyl 138:sc= -0.423 (180deg=-1.29!) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.257) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 59 GLN : amide:sc= -1.33 K(o=-1.3,f=-6.9!) USER MOD Single : A 60 TYR OH : rot 150:sc= -0.0508 USER MOD Single : A 62 MET CE :methyl 159:sc= -0.193 (180deg=-0.799) USER MOD Single : A 63 THR OG1 : rot -140:sc= -0.592 USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= -2.47! (180deg=-4.87!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= -0.0227 (180deg=-0.261) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.99 K(o=-0.99,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-2.4) USER MOD Single : A 76 TYR OH : rot 166:sc= 0.965 USER MOD Single : A 77 CYS SG : rot 59:sc= -1.46! USER MOD Single : A 78 SER OG : rot -27:sc= 0.474 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 39:sc= 0.419 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0271 (180deg=-0.244) USER MOD Single : A 96 HIS : no HD1:sc= -0.825 K(o=-0.83,f=-1.9!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 110:sc= -0.739 USER MOD Single : A 101 THR OG1 : rot 8:sc= -1.91! USER MOD Single : A 102 MET CE :methyl 142:sc= -6.16! (180deg=-11.1!) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 106 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.21) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 GLN : amide:sc= -2.26! K(o=-2.3!,f=-0.81) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 70:sc= 0.00142 USER MOD Single : A 118 SER OG : rot 2:sc= 0.887 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.553 41.462 -22.139 1.00 0.00 N ATOM 2 CA MET A 1 -14.681 39.987 -22.016 1.00 0.00 C ATOM 3 C MET A 1 -13.310 39.333 -21.865 1.00 0.00 C ATOM 4 O MET A 1 -13.155 38.134 -22.099 1.00 0.00 O ATOM 5 CB MET A 1 -15.394 39.414 -23.243 1.00 0.00 C ATOM 6 CG MET A 1 -16.800 39.960 -23.438 1.00 0.00 C ATOM 7 SD MET A 1 -17.614 39.279 -24.897 1.00 0.00 S ATOM 8 CE MET A 1 -16.522 39.854 -26.195 1.00 0.00 C ATOM 0 H1 MET A 1 -15.499 41.887 -22.223 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.077 41.841 -21.295 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.993 41.693 -22.985 1.00 0.00 H new ATOM 0 HA MET A 1 -15.269 39.771 -21.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.802 39.632 -24.132 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.444 38.329 -23.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.398 39.736 -22.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.755 41.046 -23.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.054 39.850 -27.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.190 40.867 -25.969 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.656 39.195 -26.261 1.00 0.00 H new ATOM 20 N CYS A 2 -12.321 40.130 -21.474 1.00 0.00 N ATOM 21 CA CYS A 2 -10.962 39.631 -21.297 1.00 0.00 C ATOM 22 C CYS A 2 -10.644 39.433 -19.818 1.00 0.00 C ATOM 23 O CYS A 2 -9.753 38.661 -19.463 1.00 0.00 O ATOM 24 CB CYS A 2 -9.954 40.598 -21.921 1.00 0.00 C ATOM 25 SG CYS A 2 -10.178 40.851 -23.697 1.00 0.00 S ATOM 0 H CYS A 2 -12.435 41.124 -21.274 1.00 0.00 H new ATOM 0 HA CYS A 2 -10.888 38.667 -21.800 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.029 41.561 -21.415 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -8.947 40.222 -21.742 1.00 0.00 H new ATOM 0 HG CYS A 2 -9.281 41.685 -24.133 1.00 0.00 H new ATOM 31 N ASN A 3 -11.379 40.134 -18.961 1.00 0.00 N ATOM 32 CA ASN A 3 -11.172 40.040 -17.520 1.00 0.00 C ATOM 33 C ASN A 3 -11.883 38.819 -16.947 1.00 0.00 C ATOM 34 O ASN A 3 -13.023 38.526 -17.308 1.00 0.00 O ATOM 35 CB ASN A 3 -11.673 41.309 -16.829 1.00 0.00 C ATOM 36 CG ASN A 3 -13.149 41.559 -17.074 1.00 0.00 C ATOM 37 OD1 ASN A 3 -13.525 42.226 -18.038 1.00 0.00 O ATOM 38 ND2 ASN A 3 -13.993 41.024 -16.200 1.00 0.00 N ATOM 0 H ASN A 3 -12.123 40.773 -19.239 1.00 0.00 H new ATOM 0 HA ASN A 3 -10.103 39.933 -17.337 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.494 41.230 -15.757 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -11.099 42.164 -17.186 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.998 41.159 -16.313 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.637 40.478 -15.415 1.00 0.00 H new ATOM 45 N THR A 4 -11.203 38.110 -16.052 1.00 0.00 N ATOM 46 CA THR A 4 -11.768 36.920 -15.429 1.00 0.00 C ATOM 47 C THR A 4 -11.245 36.746 -14.006 1.00 0.00 C ATOM 48 O THR A 4 -10.101 36.341 -13.800 1.00 0.00 O ATOM 49 CB THR A 4 -11.443 35.652 -16.243 1.00 0.00 C ATOM 50 OG1 THR A 4 -11.925 35.796 -17.585 1.00 0.00 O ATOM 51 CG2 THR A 4 -12.072 34.422 -15.604 1.00 0.00 C ATOM 0 H THR A 4 -10.259 38.340 -15.742 1.00 0.00 H new ATOM 0 HA THR A 4 -12.849 37.058 -15.402 1.00 0.00 H new ATOM 0 HB THR A 4 -10.361 35.522 -16.256 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.714 34.988 -18.097 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.829 33.540 -16.196 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.684 34.299 -14.593 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.154 34.546 -15.565 1.00 0.00 H new ATOM 59 N ASN A 5 -12.091 37.057 -13.028 1.00 0.00 N ATOM 60 CA ASN A 5 -11.715 36.938 -11.624 1.00 0.00 C ATOM 61 C ASN A 5 -12.198 35.615 -11.040 1.00 0.00 C ATOM 62 O ASN A 5 -13.353 35.489 -10.635 1.00 0.00 O ATOM 63 CB ASN A 5 -12.292 38.106 -10.821 1.00 0.00 C ATOM 64 CG ASN A 5 -11.793 39.451 -11.313 1.00 0.00 C ATOM 65 OD1 ASN A 5 -10.678 39.564 -11.822 1.00 0.00 O ATOM 66 ND2 ASN A 5 -12.621 40.479 -11.164 1.00 0.00 N ATOM 0 H ASN A 5 -13.041 37.393 -13.183 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.627 36.964 -11.561 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.380 38.082 -10.881 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.028 37.986 -9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.341 41.409 -11.477 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.536 40.339 -10.736 1.00 0.00 H new ATOM 73 N MET A 6 -11.305 34.631 -11.000 1.00 0.00 N ATOM 74 CA MET A 6 -11.639 33.317 -10.461 1.00 0.00 C ATOM 75 C MET A 6 -10.399 32.630 -9.900 1.00 0.00 C ATOM 76 O MET A 6 -9.355 32.582 -10.551 1.00 0.00 O ATOM 77 CB MET A 6 -12.274 32.445 -11.545 1.00 0.00 C ATOM 78 CG MET A 6 -12.701 31.072 -11.052 1.00 0.00 C ATOM 79 SD MET A 6 -13.443 30.066 -12.351 1.00 0.00 S ATOM 80 CE MET A 6 -12.079 29.935 -13.503 1.00 0.00 C ATOM 0 H MET A 6 -10.345 34.718 -11.334 1.00 0.00 H new ATOM 0 HA MET A 6 -12.355 33.454 -9.650 1.00 0.00 H new ATOM 0 HB2 MET A 6 -13.143 32.962 -11.952 1.00 0.00 H new ATOM 0 HB3 MET A 6 -11.564 32.323 -12.363 1.00 0.00 H new ATOM 0 HG2 MET A 6 -11.834 30.551 -10.645 1.00 0.00 H new ATOM 0 HG3 MET A 6 -13.415 31.189 -10.236 1.00 0.00 H new ATOM 0 HE1 MET A 6 -12.240 29.082 -14.162 1.00 0.00 H new ATOM 0 HE2 MET A 6 -12.016 30.846 -14.098 1.00 0.00 H new ATOM 0 HE3 MET A 6 -11.149 29.797 -12.952 1.00 0.00 H new ATOM 90 N SER A 7 -10.520 32.099 -8.686 1.00 0.00 N ATOM 91 CA SER A 7 -9.405 31.423 -8.032 1.00 0.00 C ATOM 92 C SER A 7 -9.907 30.354 -7.068 1.00 0.00 C ATOM 93 O SER A 7 -9.160 29.459 -6.674 1.00 0.00 O ATOM 94 CB SER A 7 -8.536 32.433 -7.282 1.00 0.00 C ATOM 95 OG SER A 7 -7.446 31.794 -6.644 1.00 0.00 O ATOM 0 H SER A 7 -11.379 32.124 -8.136 1.00 0.00 H new ATOM 0 HA SER A 7 -8.805 30.940 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.164 33.185 -7.978 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.139 32.956 -6.540 1.00 0.00 H new ATOM 0 HG SER A 7 -6.905 32.462 -6.173 1.00 0.00 H new ATOM 101 N VAL A 8 -11.178 30.455 -6.689 1.00 0.00 N ATOM 102 CA VAL A 8 -11.776 29.504 -5.760 1.00 0.00 C ATOM 103 C VAL A 8 -12.911 28.727 -6.424 1.00 0.00 C ATOM 104 O VAL A 8 -14.075 29.121 -6.342 1.00 0.00 O ATOM 105 CB VAL A 8 -12.317 30.211 -4.503 1.00 0.00 C ATOM 106 CG1 VAL A 8 -12.844 29.195 -3.501 1.00 0.00 C ATOM 107 CG2 VAL A 8 -11.239 31.083 -3.875 1.00 0.00 C ATOM 0 H VAL A 8 -11.812 31.186 -7.011 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.989 28.810 -5.465 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.145 30.855 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.222 29.715 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.650 28.619 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.038 28.522 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.639 31.575 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.388 30.463 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.917 31.837 -4.593 1.00 0.00 H new ATOM 117 N PRO A 9 -12.584 27.607 -7.095 1.00 0.00 N ATOM 118 CA PRO A 9 -13.583 26.769 -7.764 1.00 0.00 C ATOM 119 C PRO A 9 -14.410 25.952 -6.775 1.00 0.00 C ATOM 120 O PRO A 9 -14.394 26.217 -5.573 1.00 0.00 O ATOM 121 CB PRO A 9 -12.735 25.847 -8.642 1.00 0.00 C ATOM 122 CG PRO A 9 -11.433 25.742 -7.926 1.00 0.00 C ATOM 123 CD PRO A 9 -11.218 27.070 -7.252 1.00 0.00 C ATOM 0 HA PRO A 9 -14.310 27.362 -8.319 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.203 24.870 -8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.606 26.260 -9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.454 24.933 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.623 25.522 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.720 26.955 -6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.595 27.730 -7.856 1.00 0.00 H new ATOM 131 N THR A 10 -15.129 24.959 -7.288 1.00 0.00 N ATOM 132 CA THR A 10 -15.953 24.102 -6.446 1.00 0.00 C ATOM 133 C THR A 10 -15.097 23.307 -5.463 1.00 0.00 C ATOM 134 O THR A 10 -15.478 23.110 -4.310 1.00 0.00 O ATOM 135 CB THR A 10 -16.794 23.125 -7.289 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.523 22.238 -6.433 1.00 0.00 O ATOM 137 CG2 THR A 10 -15.909 22.315 -8.228 1.00 0.00 C ATOM 0 H THR A 10 -15.157 24.729 -8.281 1.00 0.00 H new ATOM 0 HA THR A 10 -16.624 24.757 -5.890 1.00 0.00 H new ATOM 0 HB THR A 10 -17.493 23.710 -7.887 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.056 21.622 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.527 21.633 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.378 22.989 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.188 21.742 -7.645 1.00 0.00 H new ATOM 145 N ASP A 11 -13.936 22.857 -5.929 1.00 0.00 N ATOM 146 CA ASP A 11 -13.022 22.085 -5.092 1.00 0.00 C ATOM 147 C ASP A 11 -11.573 22.329 -5.502 1.00 0.00 C ATOM 148 O ASP A 11 -11.112 21.818 -6.522 1.00 0.00 O ATOM 149 CB ASP A 11 -13.348 20.594 -5.188 1.00 0.00 C ATOM 150 CG ASP A 11 -12.430 19.745 -4.330 1.00 0.00 C ATOM 151 OD1 ASP A 11 -12.768 19.511 -3.151 1.00 0.00 O ATOM 152 OD2 ASP A 11 -11.374 19.314 -4.837 1.00 0.00 O ATOM 0 H ASP A 11 -13.605 23.013 -6.881 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.148 22.412 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.381 20.430 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.269 20.274 -6.227 1.00 0.00 H new ATOM 157 N GLY A 12 -10.861 23.112 -4.699 1.00 0.00 N ATOM 158 CA GLY A 12 -9.472 23.414 -4.996 1.00 0.00 C ATOM 159 C GLY A 12 -8.512 22.699 -4.067 1.00 0.00 C ATOM 160 O GLY A 12 -7.401 22.345 -4.465 1.00 0.00 O ATOM 0 H GLY A 12 -11.220 23.543 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.254 23.132 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.313 24.490 -4.920 1.00 0.00 H new ATOM 164 N ALA A 13 -8.941 22.485 -2.825 1.00 0.00 N ATOM 165 CA ALA A 13 -8.117 21.805 -1.830 1.00 0.00 C ATOM 166 C ALA A 13 -6.806 22.548 -1.597 1.00 0.00 C ATOM 167 O ALA A 13 -6.591 23.634 -2.134 1.00 0.00 O ATOM 168 CB ALA A 13 -7.846 20.370 -2.260 1.00 0.00 C ATOM 0 H ALA A 13 -9.858 22.774 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.666 21.793 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.231 19.875 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.791 19.837 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.322 20.369 -3.216 1.00 0.00 H new ATOM 174 N VAL A 14 -5.930 21.955 -0.790 1.00 0.00 N ATOM 175 CA VAL A 14 -4.638 22.559 -0.487 1.00 0.00 C ATOM 176 C VAL A 14 -3.500 21.769 -1.126 1.00 0.00 C ATOM 177 O VAL A 14 -2.862 22.234 -2.070 1.00 0.00 O ATOM 178 CB VAL A 14 -4.402 22.646 1.033 1.00 0.00 C ATOM 179 CG1 VAL A 14 -3.081 23.340 1.330 1.00 0.00 C ATOM 180 CG2 VAL A 14 -5.556 23.366 1.713 1.00 0.00 C ATOM 0 H VAL A 14 -6.092 21.057 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.653 23.567 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.351 21.633 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.932 23.392 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.265 22.777 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.099 24.349 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.371 23.417 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.643 24.375 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.483 22.822 1.530 1.00 0.00 H new ATOM 190 N THR A 15 -3.251 20.572 -0.603 1.00 0.00 N ATOM 191 CA THR A 15 -2.190 19.717 -1.121 1.00 0.00 C ATOM 192 C THR A 15 -2.513 18.244 -0.892 1.00 0.00 C ATOM 193 O THR A 15 -2.503 17.765 0.243 1.00 0.00 O ATOM 194 CB THR A 15 -0.834 20.045 -0.464 1.00 0.00 C ATOM 195 OG1 THR A 15 -0.521 21.429 -0.654 1.00 0.00 O ATOM 196 CG2 THR A 15 0.276 19.184 -1.051 1.00 0.00 C ATOM 0 H THR A 15 -3.770 20.173 0.179 1.00 0.00 H new ATOM 0 HA THR A 15 -2.121 19.908 -2.192 1.00 0.00 H new ATOM 0 HB THR A 15 -0.911 19.832 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.341 21.630 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.222 19.434 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.049 18.132 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.352 19.369 -2.122 1.00 0.00 H new ATOM 204 N THR A 16 -2.801 17.531 -1.976 1.00 0.00 N ATOM 205 CA THR A 16 -3.142 16.116 -1.892 1.00 0.00 C ATOM 206 C THR A 16 -3.065 15.449 -3.263 1.00 0.00 C ATOM 207 O THR A 16 -3.452 16.036 -4.274 1.00 0.00 O ATOM 208 CB THR A 16 -4.557 15.914 -1.315 1.00 0.00 C ATOM 209 OG1 THR A 16 -4.883 14.520 -1.293 1.00 0.00 O ATOM 210 CG2 THR A 16 -5.592 16.670 -2.135 1.00 0.00 C ATOM 0 H THR A 16 -2.805 17.910 -2.923 1.00 0.00 H new ATOM 0 HA THR A 16 -2.415 15.654 -1.225 1.00 0.00 H new ATOM 0 HB THR A 16 -4.568 16.306 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.783 14.400 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.582 16.511 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.358 17.735 -2.124 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.578 16.307 -3.163 1.00 0.00 H new ATOM 218 N SER A 17 -2.560 14.219 -3.287 1.00 0.00 N ATOM 219 CA SER A 17 -2.426 13.470 -4.532 1.00 0.00 C ATOM 220 C SER A 17 -3.601 12.516 -4.723 1.00 0.00 C ATOM 221 O SER A 17 -4.455 12.731 -5.582 1.00 0.00 O ATOM 222 CB SER A 17 -1.111 12.691 -4.543 1.00 0.00 C ATOM 223 OG SER A 17 -0.959 11.962 -5.749 1.00 0.00 O ATOM 0 H SER A 17 -2.237 13.720 -2.458 1.00 0.00 H new ATOM 0 HA SER A 17 -2.424 14.182 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.275 13.381 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.083 12.007 -3.695 1.00 0.00 H new ATOM 0 HG SER A 17 -0.109 11.474 -5.731 1.00 0.00 H new ATOM 229 N GLN A 18 -3.639 11.463 -3.912 1.00 0.00 N ATOM 230 CA GLN A 18 -4.721 10.490 -3.969 1.00 0.00 C ATOM 231 C GLN A 18 -4.781 9.693 -2.682 1.00 0.00 C ATOM 232 O GLN A 18 -5.858 9.361 -2.189 1.00 0.00 O ATOM 233 CB GLN A 18 -4.514 9.527 -5.136 1.00 0.00 C ATOM 234 CG GLN A 18 -5.638 8.517 -5.291 1.00 0.00 C ATOM 235 CD GLN A 18 -5.438 7.596 -6.478 1.00 0.00 C ATOM 236 OE1 GLN A 18 -4.832 7.979 -7.480 1.00 0.00 O ATOM 237 NE2 GLN A 18 -5.945 6.373 -6.372 1.00 0.00 N ATOM 0 H GLN A 18 -2.930 11.263 -3.206 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.655 11.034 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.421 10.100 -6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.574 8.994 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.712 7.920 -4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.584 9.047 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.440 6.098 -5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.840 5.709 -7.139 1.00 0.00 H new ATOM 246 N ILE A 19 -3.608 9.318 -2.192 1.00 0.00 N ATOM 247 CA ILE A 19 -3.499 8.181 -1.298 1.00 0.00 C ATOM 248 C ILE A 19 -3.885 8.509 0.152 1.00 0.00 C ATOM 249 O ILE A 19 -4.294 7.614 0.893 1.00 0.00 O ATOM 250 CB ILE A 19 -2.090 7.550 -1.331 1.00 0.00 C ATOM 251 CG1 ILE A 19 -1.025 8.527 -0.807 1.00 0.00 C ATOM 252 CG2 ILE A 19 -1.759 7.100 -2.746 1.00 0.00 C ATOM 253 CD1 ILE A 19 -0.598 9.581 -1.809 1.00 0.00 C ATOM 0 H ILE A 19 -2.724 9.784 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.220 7.456 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.088 6.682 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.411 9.024 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.147 7.959 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.764 6.656 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.491 6.362 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.784 7.959 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.155 10.228 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.179 9.096 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.462 10.178 -2.100 1.00 0.00 H new ATOM 265 N PRO A 20 -3.786 9.788 0.580 1.00 0.00 N ATOM 266 CA PRO A 20 -4.277 10.220 1.892 1.00 0.00 C ATOM 267 C PRO A 20 -5.630 9.609 2.239 1.00 0.00 C ATOM 268 O PRO A 20 -6.470 9.397 1.364 1.00 0.00 O ATOM 269 CB PRO A 20 -4.401 11.732 1.731 1.00 0.00 C ATOM 270 CG PRO A 20 -3.347 12.092 0.741 1.00 0.00 C ATOM 271 CD PRO A 20 -3.209 10.907 -0.181 1.00 0.00 C ATOM 0 HA PRO A 20 -3.614 9.911 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.392 12.013 1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.246 12.246 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.626 12.987 0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.402 12.308 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.742 11.068 -1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.166 10.720 -0.435 1.00 0.00 H new ATOM 279 N ALA A 21 -5.829 9.317 3.521 1.00 0.00 N ATOM 280 CA ALA A 21 -7.057 8.674 3.977 1.00 0.00 C ATOM 281 C ALA A 21 -8.271 9.557 3.718 1.00 0.00 C ATOM 282 O ALA A 21 -8.155 10.780 3.628 1.00 0.00 O ATOM 283 CB ALA A 21 -6.955 8.338 5.457 1.00 0.00 C ATOM 0 H ALA A 21 -5.156 9.515 4.262 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.186 7.751 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.877 7.859 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.116 7.661 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.798 9.253 6.028 1.00 0.00 H new ATOM 289 N SER A 22 -9.439 8.927 3.613 1.00 0.00 N ATOM 290 CA SER A 22 -10.697 9.651 3.446 1.00 0.00 C ATOM 291 C SER A 22 -10.729 10.402 2.117 1.00 0.00 C ATOM 292 O SER A 22 -11.626 11.207 1.871 1.00 0.00 O ATOM 293 CB SER A 22 -10.910 10.628 4.606 1.00 0.00 C ATOM 294 OG SER A 22 -12.144 11.313 4.478 1.00 0.00 O ATOM 0 H SER A 22 -9.540 7.912 3.641 1.00 0.00 H new ATOM 0 HA SER A 22 -11.505 8.920 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.889 10.085 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.092 11.348 4.633 1.00 0.00 H new ATOM 0 HG SER A 22 -12.336 11.466 3.529 1.00 0.00 H new ATOM 300 N GLU A 23 -9.758 10.117 1.255 1.00 0.00 N ATOM 301 CA GLU A 23 -9.752 10.666 -0.096 1.00 0.00 C ATOM 302 C GLU A 23 -10.365 9.675 -1.080 1.00 0.00 C ATOM 303 O GLU A 23 -11.538 9.786 -1.435 1.00 0.00 O ATOM 304 CB GLU A 23 -8.325 11.019 -0.524 1.00 0.00 C ATOM 305 CG GLU A 23 -8.240 11.636 -1.911 1.00 0.00 C ATOM 306 CD GLU A 23 -9.005 12.940 -2.019 1.00 0.00 C ATOM 307 OE1 GLU A 23 -8.406 14.004 -1.758 1.00 0.00 O ATOM 308 OE2 GLU A 23 -10.205 12.896 -2.365 1.00 0.00 O ATOM 0 H GLU A 23 -8.966 9.510 1.468 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.353 11.575 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.899 11.713 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.714 10.117 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.194 11.811 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.630 10.929 -2.643 1.00 0.00 H new ATOM 315 N GLN A 24 -9.576 8.685 -1.484 1.00 0.00 N ATOM 316 CA GLN A 24 -10.092 7.560 -2.253 1.00 0.00 C ATOM 317 C GLN A 24 -9.541 6.247 -1.711 1.00 0.00 C ATOM 318 O GLN A 24 -8.471 5.796 -2.121 1.00 0.00 O ATOM 319 CB GLN A 24 -9.726 7.708 -3.732 1.00 0.00 C ATOM 320 CG GLN A 24 -10.421 8.874 -4.417 1.00 0.00 C ATOM 321 CD GLN A 24 -11.916 8.661 -4.557 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.693 9.036 -3.680 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.326 8.053 -5.664 1.00 0.00 N ATOM 0 H GLN A 24 -8.575 8.640 -1.291 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.178 7.552 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.647 7.837 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.981 6.786 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.239 9.786 -3.848 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.985 9.023 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.647 7.759 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.320 7.880 -5.813 1.00 0.00 H new ATOM 332 N GLU A 25 -10.256 5.654 -0.759 1.00 0.00 N ATOM 333 CA GLU A 25 -9.742 4.508 -0.030 1.00 0.00 C ATOM 334 C GLU A 25 -10.288 3.208 -0.610 1.00 0.00 C ATOM 335 O GLU A 25 -9.808 2.733 -1.637 1.00 0.00 O ATOM 336 CB GLU A 25 -10.098 4.622 1.457 1.00 0.00 C ATOM 337 CG GLU A 25 -9.410 3.587 2.333 1.00 0.00 C ATOM 338 CD GLU A 25 -9.866 3.652 3.778 1.00 0.00 C ATOM 339 OE1 GLU A 25 -10.848 2.963 4.123 1.00 0.00 O ATOM 340 OE2 GLU A 25 -9.238 4.392 4.565 1.00 0.00 O ATOM 0 H GLU A 25 -11.191 5.950 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.657 4.496 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.831 5.618 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.177 4.522 1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.609 2.591 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.331 3.738 2.289 1.00 0.00 H new ATOM 347 N THR A 26 -11.273 2.628 0.075 1.00 0.00 N ATOM 348 CA THR A 26 -11.682 1.245 -0.172 1.00 0.00 C ATOM 349 C THR A 26 -12.397 0.658 1.037 1.00 0.00 C ATOM 350 O THR A 26 -12.468 1.279 2.096 1.00 0.00 O ATOM 351 CB THR A 26 -10.475 0.342 -0.484 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.922 -0.942 -0.935 1.00 0.00 O ATOM 353 CG2 THR A 26 -9.611 0.177 0.749 1.00 0.00 C ATOM 0 H THR A 26 -11.805 3.097 0.809 1.00 0.00 H new ATOM 0 HA THR A 26 -12.353 1.276 -1.031 1.00 0.00 H new ATOM 0 HB THR A 26 -9.885 0.812 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.584 -1.107 -1.840 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.761 -0.464 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.251 1.153 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.199 -0.277 1.547 1.00 0.00 H new ATOM 361 N LEU A 27 -12.803 -0.597 0.897 1.00 0.00 N ATOM 362 CA LEU A 27 -12.782 -1.532 2.002 1.00 0.00 C ATOM 363 C LEU A 27 -12.457 -2.917 1.471 1.00 0.00 C ATOM 364 O LEU A 27 -13.333 -3.770 1.333 1.00 0.00 O ATOM 365 CB LEU A 27 -14.108 -1.548 2.757 1.00 0.00 C ATOM 366 CG LEU A 27 -13.959 -1.702 4.271 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.936 -2.780 4.592 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.545 -0.379 4.892 1.00 0.00 C ATOM 0 H LEU A 27 -13.152 -0.988 0.022 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.016 -1.215 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.645 -0.623 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.721 -2.366 2.377 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.920 -2.000 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.839 -2.880 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.263 -3.729 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.971 -2.505 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.442 -0.500 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.592 -0.061 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.304 0.375 4.682 1.00 0.00 H new ATOM 380 N VAL A 28 -11.201 -3.089 1.098 1.00 0.00 N ATOM 381 CA VAL A 28 -10.812 -4.138 0.166 1.00 0.00 C ATOM 382 C VAL A 28 -10.587 -5.459 0.887 1.00 0.00 C ATOM 383 O VAL A 28 -10.167 -5.487 2.043 1.00 0.00 O ATOM 384 CB VAL A 28 -9.539 -3.746 -0.610 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.610 -2.948 0.282 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.832 -4.974 -1.159 1.00 0.00 C ATOM 0 H VAL A 28 -10.427 -2.512 1.428 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.631 -4.262 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.832 -3.125 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.714 -2.676 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.116 -2.043 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.330 -3.550 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.938 -4.667 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.549 -5.630 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.501 -5.507 -1.834 1.00 0.00 H new ATOM 396 N ARG A 29 -10.874 -6.549 0.190 1.00 0.00 N ATOM 397 CA ARG A 29 -10.726 -7.878 0.758 1.00 0.00 C ATOM 398 C ARG A 29 -9.900 -8.764 -0.171 1.00 0.00 C ATOM 399 O ARG A 29 -10.446 -9.578 -0.917 1.00 0.00 O ATOM 400 CB ARG A 29 -12.105 -8.493 0.998 1.00 0.00 C ATOM 401 CG ARG A 29 -13.126 -7.490 1.516 1.00 0.00 C ATOM 402 CD ARG A 29 -14.482 -8.138 1.743 1.00 0.00 C ATOM 403 NE ARG A 29 -15.461 -7.189 2.265 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.677 -7.534 2.678 1.00 0.00 C ATOM 405 NH1 ARG A 29 -17.062 -8.803 2.630 1.00 0.00 N ATOM 406 NH2 ARG A 29 -17.509 -6.611 3.140 1.00 0.00 N ATOM 0 H ARG A 29 -11.212 -6.537 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.203 -7.801 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.470 -8.925 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.012 -9.310 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.769 -7.056 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.228 -6.672 0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.846 -8.555 0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.375 -8.969 2.440 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.197 -6.205 2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.425 -9.516 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.995 -9.065 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.217 -5.635 3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.441 -6.877 3.456 1.00 0.00 H new ATOM 420 N PRO A 30 -8.569 -8.568 -0.179 1.00 0.00 N ATOM 421 CA PRO A 30 -7.696 -9.087 -1.234 1.00 0.00 C ATOM 422 C PRO A 30 -7.321 -10.552 -1.034 1.00 0.00 C ATOM 423 O PRO A 30 -7.265 -11.045 0.093 1.00 0.00 O ATOM 424 CB PRO A 30 -6.460 -8.199 -1.114 1.00 0.00 C ATOM 425 CG PRO A 30 -6.395 -7.842 0.332 1.00 0.00 C ATOM 426 CD PRO A 30 -7.819 -7.778 0.819 1.00 0.00 C ATOM 0 HA PRO A 30 -8.178 -9.061 -2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.561 -8.725 -1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.548 -7.310 -1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.827 -8.586 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.893 -6.885 0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.919 -8.199 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.179 -6.750 0.868 1.00 0.00 H new ATOM 434 N LYS A 31 -7.031 -11.227 -2.143 1.00 0.00 N ATOM 435 CA LYS A 31 -6.454 -12.567 -2.107 1.00 0.00 C ATOM 436 C LYS A 31 -5.203 -12.590 -1.227 1.00 0.00 C ATOM 437 O LYS A 31 -4.452 -11.617 -1.190 1.00 0.00 O ATOM 438 CB LYS A 31 -6.104 -13.015 -3.533 1.00 0.00 C ATOM 439 CG LYS A 31 -5.455 -14.388 -3.611 1.00 0.00 C ATOM 440 CD LYS A 31 -5.120 -14.764 -5.045 1.00 0.00 C ATOM 441 CE LYS A 31 -4.472 -16.137 -5.124 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.361 -17.204 -4.587 1.00 0.00 N ATOM 0 H LYS A 31 -7.188 -10.865 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.185 -13.254 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.013 -13.020 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.432 -12.281 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.546 -14.397 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.126 -15.134 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.029 -14.754 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.448 -14.018 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.222 -16.361 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.536 -16.129 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.986 -18.136 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.402 -17.132 -3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.317 -17.090 -4.980 1.00 0.00 H new ATOM 456 N PRO A 32 -4.966 -13.705 -0.505 1.00 0.00 N ATOM 457 CA PRO A 32 -3.770 -13.876 0.325 1.00 0.00 C ATOM 458 C PRO A 32 -2.484 -13.512 -0.416 1.00 0.00 C ATOM 459 O PRO A 32 -1.871 -14.355 -1.071 1.00 0.00 O ATOM 460 CB PRO A 32 -3.776 -15.372 0.683 1.00 0.00 C ATOM 461 CG PRO A 32 -4.861 -15.987 -0.142 1.00 0.00 C ATOM 462 CD PRO A 32 -5.835 -14.885 -0.439 1.00 0.00 C ATOM 0 HA PRO A 32 -3.793 -13.220 1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.811 -15.830 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.964 -15.518 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.458 -16.409 -1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.346 -16.801 0.397 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.364 -15.053 -1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.591 -14.790 0.341 1.00 0.00 H new ATOM 470 N LEU A 33 -2.080 -12.249 -0.291 1.00 0.00 N ATOM 471 CA LEU A 33 -0.848 -11.758 -0.896 1.00 0.00 C ATOM 472 C LEU A 33 -0.647 -10.284 -0.551 1.00 0.00 C ATOM 473 O LEU A 33 0.417 -9.717 -0.786 1.00 0.00 O ATOM 474 CB LEU A 33 -0.870 -11.957 -2.417 1.00 0.00 C ATOM 475 CG LEU A 33 -2.123 -11.452 -3.132 1.00 0.00 C ATOM 476 CD1 LEU A 33 -1.949 -10.002 -3.544 1.00 0.00 C ATOM 477 CD2 LEU A 33 -2.433 -12.320 -4.343 1.00 0.00 C ATOM 0 H LEU A 33 -2.597 -11.541 0.231 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.012 -12.331 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.002 -11.454 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.757 -13.020 -2.628 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.964 -11.515 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.850 -9.657 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.775 -9.391 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.097 -9.915 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.328 -11.946 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.593 -12.289 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.600 -13.348 -4.021 1.00 0.00 H new ATOM 489 N LEU A 34 -1.666 -9.688 0.061 1.00 0.00 N ATOM 490 CA LEU A 34 -1.518 -8.401 0.726 1.00 0.00 C ATOM 491 C LEU A 34 -1.568 -8.583 2.236 1.00 0.00 C ATOM 492 O LEU A 34 -1.281 -7.657 2.996 1.00 0.00 O ATOM 493 CB LEU A 34 -2.624 -7.436 0.285 1.00 0.00 C ATOM 494 CG LEU A 34 -2.203 -6.380 -0.741 1.00 0.00 C ATOM 495 CD1 LEU A 34 -1.077 -5.517 -0.189 1.00 0.00 C ATOM 496 CD2 LEU A 34 -1.785 -7.040 -2.044 1.00 0.00 C ATOM 0 H LEU A 34 -2.607 -10.079 0.109 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.552 -7.979 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.445 -8.018 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.012 -6.927 1.167 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.059 -5.736 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.791 -4.773 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.415 -5.014 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.217 -6.146 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.489 -6.274 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.944 -7.709 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.621 -7.611 -2.447 1.00 0.00 H new ATOM 508 N LEU A 35 -1.965 -9.779 2.662 1.00 0.00 N ATOM 509 CA LEU A 35 -2.207 -10.044 4.072 1.00 0.00 C ATOM 510 C LEU A 35 -1.045 -10.815 4.682 1.00 0.00 C ATOM 511 O LEU A 35 -0.619 -10.532 5.798 1.00 0.00 O ATOM 512 CB LEU A 35 -3.511 -10.827 4.259 1.00 0.00 C ATOM 513 CG LEU A 35 -4.677 -10.388 3.369 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.727 -8.875 3.245 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.566 -11.030 2.001 1.00 0.00 C ATOM 0 H LEU A 35 -2.125 -10.578 2.049 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.297 -9.086 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.311 -11.882 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.820 -10.741 5.301 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.605 -10.719 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.564 -8.590 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.856 -8.433 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.797 -8.515 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.402 -10.709 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.629 -10.729 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.588 -12.115 2.105 1.00 0.00 H new ATOM 527 N LYS A 36 -0.497 -11.754 3.921 1.00 0.00 N ATOM 528 CA LYS A 36 0.795 -12.337 4.253 1.00 0.00 C ATOM 529 C LYS A 36 1.868 -11.255 4.255 1.00 0.00 C ATOM 530 O LYS A 36 3.019 -11.498 4.618 1.00 0.00 O ATOM 531 CB LYS A 36 1.157 -13.432 3.251 1.00 0.00 C ATOM 532 CG LYS A 36 2.271 -14.350 3.728 1.00 0.00 C ATOM 533 CD LYS A 36 2.563 -15.446 2.717 1.00 0.00 C ATOM 534 CE LYS A 36 3.667 -16.372 3.202 1.00 0.00 C ATOM 535 NZ LYS A 36 4.945 -15.640 3.434 1.00 0.00 N ATOM 0 H LYS A 36 -0.925 -12.126 3.074 1.00 0.00 H new ATOM 0 HA LYS A 36 0.735 -12.780 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.270 -14.030 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.457 -12.968 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.174 -13.766 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.991 -14.798 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.657 -16.023 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.854 -14.998 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.354 -16.857 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.829 -17.160 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.721 -16.323 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.144 -15.023 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.863 -15.063 4.295 1.00 0.00 H new ATOM 549 N LEU A 37 1.468 -10.059 3.837 1.00 0.00 N ATOM 550 CA LEU A 37 2.366 -8.924 3.765 1.00 0.00 C ATOM 551 C LEU A 37 2.211 -8.047 5.007 1.00 0.00 C ATOM 552 O LEU A 37 3.194 -7.554 5.561 1.00 0.00 O ATOM 553 CB LEU A 37 2.055 -8.120 2.497 1.00 0.00 C ATOM 554 CG LEU A 37 3.164 -7.183 2.032 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.901 -6.679 0.627 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.293 -6.019 2.979 1.00 0.00 C ATOM 0 H LEU A 37 0.514 -9.855 3.540 1.00 0.00 H new ATOM 0 HA LEU A 37 3.397 -9.275 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.829 -8.818 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.154 -7.532 2.671 1.00 0.00 H new ATOM 0 HG LEU A 37 4.098 -7.745 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.708 -6.013 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.849 -7.524 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.956 -6.137 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.088 -5.357 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.352 -5.470 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.532 -6.387 3.977 1.00 0.00 H new ATOM 568 N LEU A 38 0.965 -7.851 5.428 1.00 0.00 N ATOM 569 CA LEU A 38 0.655 -6.929 6.516 1.00 0.00 C ATOM 570 C LEU A 38 0.482 -7.669 7.840 1.00 0.00 C ATOM 571 O LEU A 38 0.974 -7.229 8.877 1.00 0.00 O ATOM 572 CB LEU A 38 -0.612 -6.143 6.184 1.00 0.00 C ATOM 573 CG LEU A 38 -0.384 -4.717 5.678 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.673 -4.691 4.585 1.00 0.00 C ATOM 575 CD2 LEU A 38 -1.686 -4.130 5.163 1.00 0.00 C ATOM 0 H LEU A 38 0.151 -8.320 5.031 1.00 0.00 H new ATOM 0 HA LEU A 38 1.492 -6.239 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.174 -6.693 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.236 -6.099 7.076 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.027 -4.112 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.817 -3.666 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.613 -5.077 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.348 -5.311 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.511 -3.115 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.063 -4.743 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.420 -4.110 5.969 1.00 0.00 H new ATOM 587 N LYS A 39 -0.203 -8.808 7.797 1.00 0.00 N ATOM 588 CA LYS A 39 -0.293 -9.680 8.962 1.00 0.00 C ATOM 589 C LYS A 39 1.097 -10.125 9.404 1.00 0.00 C ATOM 590 O LYS A 39 1.290 -10.563 10.537 1.00 0.00 O ATOM 591 CB LYS A 39 -1.162 -10.900 8.652 1.00 0.00 C ATOM 592 CG LYS A 39 -2.536 -10.539 8.112 1.00 0.00 C ATOM 593 CD LYS A 39 -3.402 -11.771 7.893 1.00 0.00 C ATOM 594 CE LYS A 39 -2.773 -12.730 6.894 1.00 0.00 C ATOM 595 NZ LYS A 39 -3.592 -13.959 6.714 1.00 0.00 N ATOM 0 H LYS A 39 -0.701 -9.147 6.973 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.755 -9.119 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.647 -11.528 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.280 -11.493 9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.034 -9.865 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.426 -10.001 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.553 -12.283 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.385 -11.466 7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.655 -12.228 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.775 -13.005 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.129 -14.587 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.683 -14.452 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.536 -13.699 6.365 1.00 0.00 H new ATOM 609 N SER A 40 2.067 -9.983 8.503 1.00 0.00 N ATOM 610 CA SER A 40 3.463 -10.243 8.830 1.00 0.00 C ATOM 611 C SER A 40 3.995 -9.209 9.820 1.00 0.00 C ATOM 612 O SER A 40 4.568 -9.562 10.851 1.00 0.00 O ATOM 613 CB SER A 40 4.316 -10.233 7.559 1.00 0.00 C ATOM 614 OG SER A 40 5.677 -10.488 7.857 1.00 0.00 O ATOM 0 H SER A 40 1.909 -9.689 7.539 1.00 0.00 H new ATOM 0 HA SER A 40 3.523 -11.227 9.294 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.946 -10.985 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.224 -9.267 7.063 1.00 0.00 H new ATOM 0 HG SER A 40 6.172 -10.636 7.024 1.00 0.00 H new ATOM 620 N VAL A 41 3.795 -7.931 9.504 1.00 0.00 N ATOM 621 CA VAL A 41 4.230 -6.849 10.387 1.00 0.00 C ATOM 622 C VAL A 41 3.564 -6.966 11.752 1.00 0.00 C ATOM 623 O VAL A 41 4.235 -6.979 12.785 1.00 0.00 O ATOM 624 CB VAL A 41 3.912 -5.449 9.810 1.00 0.00 C ATOM 625 CG1 VAL A 41 5.156 -4.574 9.810 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.323 -5.546 8.411 1.00 0.00 C ATOM 0 H VAL A 41 3.337 -7.620 8.648 1.00 0.00 H new ATOM 0 HA VAL A 41 5.311 -6.951 10.480 1.00 0.00 H new ATOM 0 HB VAL A 41 3.164 -4.986 10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.911 -3.594 9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.521 -4.460 10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.929 -5.040 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.111 -4.545 8.035 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.036 -6.039 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.399 -6.124 8.444 1.00 0.00 H new ATOM 636 N GLY A 42 2.238 -7.041 11.745 1.00 0.00 N ATOM 637 CA GLY A 42 1.487 -7.081 12.985 1.00 0.00 C ATOM 638 C GLY A 42 -0.006 -7.157 12.748 1.00 0.00 C ATOM 639 O GLY A 42 -0.769 -7.500 13.652 1.00 0.00 O ATOM 0 H GLY A 42 1.668 -7.075 10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.804 -7.943 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.715 -6.193 13.574 1.00 0.00 H new ATOM 643 N ALA A 43 -0.423 -6.832 11.529 1.00 0.00 N ATOM 644 CA ALA A 43 -1.838 -6.850 11.171 1.00 0.00 C ATOM 645 C ALA A 43 -2.461 -8.215 11.444 1.00 0.00 C ATOM 646 O ALA A 43 -1.755 -9.216 11.572 1.00 0.00 O ATOM 647 CB ALA A 43 -2.016 -6.469 9.709 1.00 0.00 C ATOM 0 H ALA A 43 0.199 -6.552 10.771 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.352 -6.117 11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.076 -6.486 9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.619 -5.467 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.480 -7.180 9.080 1.00 0.00 H new ATOM 653 N GLN A 44 -3.788 -8.248 11.531 1.00 0.00 N ATOM 654 CA GLN A 44 -4.508 -9.493 11.783 1.00 0.00 C ATOM 655 C GLN A 44 -6.015 -9.286 11.648 1.00 0.00 C ATOM 656 O GLN A 44 -6.733 -9.200 12.646 1.00 0.00 O ATOM 657 CB GLN A 44 -4.176 -10.026 13.180 1.00 0.00 C ATOM 658 CG GLN A 44 -4.786 -11.386 13.474 1.00 0.00 C ATOM 659 CD GLN A 44 -4.286 -12.470 12.538 1.00 0.00 C ATOM 660 OE1 GLN A 44 -5.005 -13.421 12.232 1.00 0.00 O ATOM 661 NE2 GLN A 44 -3.045 -12.335 12.080 1.00 0.00 N ATOM 0 H GLN A 44 -4.386 -7.428 11.431 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.192 -10.224 11.039 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.093 -10.092 13.286 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.526 -9.311 13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.558 -11.667 14.502 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.871 -11.317 13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.483 -11.531 12.359 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.655 -13.036 11.450 1.00 0.00 H new ATOM 670 N LYS A 45 -6.490 -9.212 10.408 1.00 0.00 N ATOM 671 CA LYS A 45 -7.918 -9.062 10.143 1.00 0.00 C ATOM 672 C LYS A 45 -8.332 -9.885 8.927 1.00 0.00 C ATOM 673 O LYS A 45 -7.500 -10.524 8.283 1.00 0.00 O ATOM 674 CB LYS A 45 -8.268 -7.591 9.916 1.00 0.00 C ATOM 675 CG LYS A 45 -7.865 -6.681 11.066 1.00 0.00 C ATOM 676 CD LYS A 45 -8.242 -5.233 10.799 1.00 0.00 C ATOM 677 CE LYS A 45 -7.483 -4.665 9.610 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.841 -3.244 9.349 1.00 0.00 N ATOM 0 H LYS A 45 -5.908 -9.253 9.571 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.463 -9.427 11.014 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.780 -7.247 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.342 -7.503 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.347 -7.019 11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.789 -6.753 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.314 -5.164 10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.033 -4.633 11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.411 -4.741 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.698 -5.262 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.778 -3.052 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.812 -3.065 9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.183 -2.621 9.860 1.00 0.00 H new ATOM 692 N ASP A 46 -9.624 -9.856 8.612 1.00 0.00 N ATOM 693 CA ASP A 46 -10.143 -10.549 7.440 1.00 0.00 C ATOM 694 C ASP A 46 -10.160 -9.623 6.229 1.00 0.00 C ATOM 695 O ASP A 46 -10.141 -10.078 5.085 1.00 0.00 O ATOM 696 CB ASP A 46 -11.552 -11.078 7.714 1.00 0.00 C ATOM 697 CG ASP A 46 -12.135 -11.814 6.523 1.00 0.00 C ATOM 698 OD1 ASP A 46 -11.936 -13.042 6.428 1.00 0.00 O ATOM 699 OD2 ASP A 46 -12.793 -11.160 5.688 1.00 0.00 O ATOM 0 H ASP A 46 -10.331 -9.359 9.154 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.485 -11.391 7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.525 -11.748 8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.205 -10.246 7.978 1.00 0.00 H new ATOM 704 N THR A 47 -10.191 -8.319 6.490 1.00 0.00 N ATOM 705 CA THR A 47 -10.163 -7.323 5.426 1.00 0.00 C ATOM 706 C THR A 47 -9.240 -6.173 5.784 1.00 0.00 C ATOM 707 O THR A 47 -8.778 -6.065 6.920 1.00 0.00 O ATOM 708 CB THR A 47 -11.564 -6.747 5.143 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.033 -6.020 6.284 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.556 -7.846 4.802 1.00 0.00 C ATOM 0 H THR A 47 -10.236 -7.928 7.431 1.00 0.00 H new ATOM 0 HA THR A 47 -9.798 -7.834 4.535 1.00 0.00 H new ATOM 0 HB THR A 47 -11.483 -6.079 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.923 -5.655 6.096 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.534 -7.406 4.608 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.216 -8.380 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.630 -8.541 5.638 1.00 0.00 H new ATOM 718 N TYR A 48 -8.981 -5.311 4.810 1.00 0.00 N ATOM 719 CA TYR A 48 -8.134 -4.153 5.035 1.00 0.00 C ATOM 720 C TYR A 48 -8.617 -2.952 4.247 1.00 0.00 C ATOM 721 O TYR A 48 -9.582 -3.034 3.485 1.00 0.00 O ATOM 722 CB TYR A 48 -6.696 -4.470 4.652 1.00 0.00 C ATOM 723 CG TYR A 48 -6.037 -5.447 5.585 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.362 -4.997 6.705 1.00 0.00 C ATOM 725 CD2 TYR A 48 -6.089 -6.814 5.348 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.747 -5.881 7.571 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.477 -7.708 6.206 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.805 -7.236 7.315 1.00 0.00 C ATOM 729 OH TYR A 48 -4.197 -8.120 8.174 1.00 0.00 O ATOM 0 H TYR A 48 -9.345 -5.393 3.861 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.183 -3.909 6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.677 -4.874 3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.119 -3.546 4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.315 -3.937 6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.615 -7.184 4.481 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.225 -5.514 8.442 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.524 -8.769 6.010 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.519 -7.963 9.086 1.00 0.00 H new ATOM 739 N THR A 49 -7.930 -1.836 4.433 1.00 0.00 N ATOM 740 CA THR A 49 -8.263 -0.614 3.714 1.00 0.00 C ATOM 741 C THR A 49 -7.011 0.057 3.166 1.00 0.00 C ATOM 742 O THR A 49 -5.893 -0.370 3.451 1.00 0.00 O ATOM 743 CB THR A 49 -9.021 0.382 4.610 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.110 1.028 5.508 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.108 -0.323 5.408 1.00 0.00 C ATOM 0 H THR A 49 -7.141 -1.750 5.073 1.00 0.00 H new ATOM 0 HA THR A 49 -8.910 -0.902 2.885 1.00 0.00 H new ATOM 0 HB THR A 49 -9.489 1.128 3.967 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.601 1.661 6.073 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.629 0.402 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.818 -0.788 4.724 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.657 -1.089 6.039 1.00 0.00 H new ATOM 753 N MET A 50 -7.202 1.098 2.364 1.00 0.00 N ATOM 754 CA MET A 50 -6.090 1.756 1.690 1.00 0.00 C ATOM 755 C MET A 50 -5.264 2.587 2.665 1.00 0.00 C ATOM 756 O MET A 50 -4.093 2.861 2.415 1.00 0.00 O ATOM 757 CB MET A 50 -6.600 2.641 0.552 1.00 0.00 C ATOM 758 CG MET A 50 -6.898 1.875 -0.726 1.00 0.00 C ATOM 759 SD MET A 50 -6.956 2.943 -2.179 1.00 0.00 S ATOM 760 CE MET A 50 -5.291 3.605 -2.180 1.00 0.00 C ATOM 0 H MET A 50 -8.116 1.504 2.165 1.00 0.00 H new ATOM 0 HA MET A 50 -5.448 0.978 1.276 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.505 3.153 0.879 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.857 3.410 0.340 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.136 1.110 -0.873 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.852 1.358 -0.621 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.907 3.621 -3.200 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.302 4.619 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.650 2.978 -1.561 1.00 0.00 H new ATOM 770 N LYS A 51 -5.874 2.971 3.783 1.00 0.00 N ATOM 771 CA LYS A 51 -5.158 3.692 4.830 1.00 0.00 C ATOM 772 C LYS A 51 -4.361 2.721 5.694 1.00 0.00 C ATOM 773 O LYS A 51 -3.188 2.957 5.997 1.00 0.00 O ATOM 774 CB LYS A 51 -6.137 4.488 5.699 1.00 0.00 C ATOM 775 CG LYS A 51 -5.478 5.187 6.879 1.00 0.00 C ATOM 776 CD LYS A 51 -4.398 6.158 6.425 1.00 0.00 C ATOM 777 CE LYS A 51 -3.745 6.857 7.607 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.690 7.813 7.173 1.00 0.00 N ATOM 0 H LYS A 51 -6.858 2.796 3.986 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.467 4.389 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.636 5.233 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.909 3.814 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.233 5.725 7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.042 4.443 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.640 5.621 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.833 6.901 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.505 7.390 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.309 6.113 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.412 8.412 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.861 7.285 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.058 8.411 6.406 1.00 0.00 H new ATOM 792 N GLU A 52 -4.996 1.613 6.055 1.00 0.00 N ATOM 793 CA GLU A 52 -4.313 0.519 6.705 1.00 0.00 C ATOM 794 C GLU A 52 -3.075 0.123 5.912 1.00 0.00 C ATOM 795 O GLU A 52 -1.948 0.325 6.361 1.00 0.00 O ATOM 796 CB GLU A 52 -5.263 -0.667 6.825 1.00 0.00 C ATOM 797 CG GLU A 52 -5.955 -0.773 8.174 1.00 0.00 C ATOM 798 CD GLU A 52 -4.991 -1.067 9.306 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.720 -2.260 9.560 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.509 -0.107 9.941 1.00 0.00 O ATOM 0 H GLU A 52 -5.992 1.455 5.904 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.997 0.832 7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.021 -0.592 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.706 -1.585 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.480 0.159 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.708 -1.560 8.130 1.00 0.00 H new ATOM 807 N VAL A 53 -3.298 -0.425 4.723 1.00 0.00 N ATOM 808 CA VAL A 53 -2.207 -0.823 3.843 1.00 0.00 C ATOM 809 C VAL A 53 -1.250 0.337 3.581 1.00 0.00 C ATOM 810 O VAL A 53 -0.066 0.128 3.332 1.00 0.00 O ATOM 811 CB VAL A 53 -2.741 -1.350 2.494 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.595 -1.818 1.610 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.740 -2.476 2.720 1.00 0.00 C ATOM 0 H VAL A 53 -4.229 -0.604 4.346 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.667 -1.621 4.353 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.253 -0.534 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.992 -2.186 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.918 -0.985 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.052 -2.619 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.106 -2.836 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.253 -3.293 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.577 -2.106 3.312 1.00 0.00 H new ATOM 823 N LEU A 54 -1.767 1.563 3.643 1.00 0.00 N ATOM 824 CA LEU A 54 -0.941 2.745 3.419 1.00 0.00 C ATOM 825 C LEU A 54 0.296 2.718 4.310 1.00 0.00 C ATOM 826 O LEU A 54 1.412 2.503 3.831 1.00 0.00 O ATOM 827 CB LEU A 54 -1.740 4.026 3.678 1.00 0.00 C ATOM 828 CG LEU A 54 -0.959 5.330 3.495 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.422 5.440 2.076 1.00 0.00 C ATOM 830 CD2 LEU A 54 -1.838 6.526 3.827 1.00 0.00 C ATOM 0 H LEU A 54 -2.747 1.762 3.845 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.623 2.735 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.601 4.040 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.128 3.993 4.696 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.112 5.322 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.130 6.374 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.242 4.600 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.253 5.425 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.268 7.445 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.704 6.536 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.173 6.455 4.862 1.00 0.00 H new ATOM 842 N PHE A 55 0.097 2.944 5.604 1.00 0.00 N ATOM 843 CA PHE A 55 1.218 3.028 6.535 1.00 0.00 C ATOM 844 C PHE A 55 1.745 1.642 6.895 1.00 0.00 C ATOM 845 O PHE A 55 2.899 1.495 7.297 1.00 0.00 O ATOM 846 CB PHE A 55 0.817 3.790 7.802 1.00 0.00 C ATOM 847 CG PHE A 55 -0.419 3.262 8.475 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.377 2.092 9.216 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.622 3.943 8.372 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.511 1.610 9.841 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.759 3.465 8.994 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.704 2.298 9.729 1.00 0.00 C ATOM 0 H PHE A 55 -0.821 3.071 6.030 1.00 0.00 H new ATOM 0 HA PHE A 55 2.018 3.576 6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.645 3.756 8.510 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.659 4.838 7.547 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.553 1.550 9.306 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.671 4.857 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.465 0.697 10.416 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.691 4.004 8.905 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.592 1.923 10.216 1.00 0.00 H new ATOM 862 N TYR A 56 0.895 0.627 6.754 1.00 0.00 N ATOM 863 CA TYR A 56 1.264 -0.733 7.134 1.00 0.00 C ATOM 864 C TYR A 56 2.215 -1.352 6.119 1.00 0.00 C ATOM 865 O TYR A 56 3.305 -1.796 6.473 1.00 0.00 O ATOM 866 CB TYR A 56 0.025 -1.612 7.282 1.00 0.00 C ATOM 867 CG TYR A 56 -0.076 -2.290 8.629 1.00 0.00 C ATOM 868 CD1 TYR A 56 1.065 -2.698 9.311 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.310 -2.522 9.217 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.977 -3.317 10.542 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.410 -3.139 10.447 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.264 -3.536 11.107 1.00 0.00 C ATOM 873 OH TYR A 56 -0.358 -4.151 12.334 1.00 0.00 O ATOM 0 H TYR A 56 -0.050 0.721 6.381 1.00 0.00 H new ATOM 0 HA TYR A 56 1.774 -0.674 8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.864 -1.002 7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.033 -2.372 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.036 -2.528 8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.209 -2.214 8.703 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.873 -3.628 11.060 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.379 -3.311 10.891 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.301 -4.228 12.590 1.00 0.00 H new ATOM 883 N LEU A 57 1.810 -1.364 4.856 1.00 0.00 N ATOM 884 CA LEU A 57 2.708 -1.764 3.783 1.00 0.00 C ATOM 885 C LEU A 57 3.985 -0.939 3.839 1.00 0.00 C ATOM 886 O LEU A 57 5.083 -1.478 3.720 1.00 0.00 O ATOM 887 CB LEU A 57 2.032 -1.600 2.420 1.00 0.00 C ATOM 888 CG LEU A 57 2.948 -1.789 1.207 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.458 -3.219 1.136 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.218 -1.418 -0.075 1.00 0.00 C ATOM 0 H LEU A 57 0.872 -1.103 4.552 1.00 0.00 H new ATOM 0 HA LEU A 57 2.958 -2.817 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.213 -2.316 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.591 -0.605 2.369 1.00 0.00 H new ATOM 0 HG LEU A 57 3.806 -1.126 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.107 -3.331 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.020 -3.450 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.613 -3.903 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.884 -1.558 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.341 -2.055 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.905 -0.375 -0.027 1.00 0.00 H new ATOM 902 N GLY A 58 3.832 0.364 4.061 1.00 0.00 N ATOM 903 CA GLY A 58 4.985 1.213 4.293 1.00 0.00 C ATOM 904 C GLY A 58 5.962 0.598 5.275 1.00 0.00 C ATOM 905 O GLY A 58 7.177 0.676 5.082 1.00 0.00 O ATOM 0 H GLY A 58 2.933 0.845 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.493 1.399 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.652 2.179 4.672 1.00 0.00 H new ATOM 909 N GLN A 59 5.434 -0.041 6.316 1.00 0.00 N ATOM 910 CA GLN A 59 6.268 -0.807 7.235 1.00 0.00 C ATOM 911 C GLN A 59 6.990 -1.927 6.494 1.00 0.00 C ATOM 912 O GLN A 59 8.206 -1.879 6.316 1.00 0.00 O ATOM 913 CB GLN A 59 5.431 -1.401 8.374 1.00 0.00 C ATOM 914 CG GLN A 59 4.471 -0.416 9.026 1.00 0.00 C ATOM 915 CD GLN A 59 5.172 0.758 9.685 1.00 0.00 C ATOM 916 OE1 GLN A 59 6.244 1.184 9.256 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.565 1.290 10.740 1.00 0.00 N ATOM 0 H GLN A 59 4.439 -0.043 6.542 1.00 0.00 H new ATOM 0 HA GLN A 59 7.004 -0.125 7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.860 -2.245 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.103 -1.794 9.137 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.779 -0.041 8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.875 -0.940 9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.677 0.907 11.064 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.987 2.081 11.226 1.00 0.00 H new ATOM 926 N TYR A 60 6.235 -2.947 6.091 1.00 0.00 N ATOM 927 CA TYR A 60 6.827 -4.186 5.588 1.00 0.00 C ATOM 928 C TYR A 60 7.893 -3.898 4.535 1.00 0.00 C ATOM 929 O TYR A 60 8.925 -4.567 4.488 1.00 0.00 O ATOM 930 CB TYR A 60 5.742 -5.090 5.007 1.00 0.00 C ATOM 931 CG TYR A 60 6.249 -6.432 4.537 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.532 -7.446 5.444 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.442 -6.689 3.186 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.994 -8.674 5.019 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.902 -7.915 2.752 1.00 0.00 C ATOM 936 CZ TYR A 60 7.177 -8.906 3.671 1.00 0.00 C ATOM 937 OH TYR A 60 7.634 -10.131 3.244 1.00 0.00 O ATOM 0 H TYR A 60 5.215 -2.941 6.103 1.00 0.00 H new ATOM 0 HA TYR A 60 7.306 -4.697 6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.972 -5.248 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.267 -4.579 4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.388 -7.269 6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.228 -5.916 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.212 -9.450 5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.046 -8.098 1.697 1.00 0.00 H new ATOM 0 HH TYR A 60 7.277 -10.321 2.351 1.00 0.00 H new ATOM 947 N ILE A 61 7.651 -2.878 3.717 1.00 0.00 N ATOM 948 CA ILE A 61 8.666 -2.380 2.796 1.00 0.00 C ATOM 949 C ILE A 61 9.946 -2.031 3.545 1.00 0.00 C ATOM 950 O ILE A 61 10.966 -2.706 3.403 1.00 0.00 O ATOM 951 CB ILE A 61 8.178 -1.125 2.048 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.808 -1.371 1.425 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.178 -0.721 0.975 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.150 -0.105 0.926 1.00 0.00 C ATOM 0 H ILE A 61 6.761 -2.381 3.674 1.00 0.00 H new ATOM 0 HA ILE A 61 8.861 -3.174 2.075 1.00 0.00 H new ATOM 0 HB ILE A 61 8.091 -0.311 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.912 -2.071 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.160 -1.845 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.817 0.167 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.141 -0.505 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.294 -1.536 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.179 -0.346 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.016 0.587 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.780 0.358 0.167 1.00 0.00 H new ATOM 966 N MET A 62 9.884 -0.966 4.337 1.00 0.00 N ATOM 967 CA MET A 62 11.058 -0.482 5.062 1.00 0.00 C ATOM 968 C MET A 62 11.027 -0.896 6.534 1.00 0.00 C ATOM 969 O MET A 62 11.332 -0.094 7.418 1.00 0.00 O ATOM 970 CB MET A 62 11.157 1.040 4.950 1.00 0.00 C ATOM 971 CG MET A 62 9.956 1.773 5.526 1.00 0.00 C ATOM 972 SD MET A 62 10.090 3.563 5.357 1.00 0.00 S ATOM 973 CE MET A 62 10.144 3.729 3.575 1.00 0.00 C ATOM 0 H MET A 62 9.036 -0.421 4.494 1.00 0.00 H new ATOM 0 HA MET A 62 11.937 -0.938 4.606 1.00 0.00 H new ATOM 0 HB2 MET A 62 12.058 1.376 5.464 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.269 1.312 3.900 1.00 0.00 H new ATOM 0 HG2 MET A 62 9.051 1.431 5.024 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.851 1.518 6.581 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.855 4.742 3.295 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.156 3.530 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.454 3.017 3.122 1.00 0.00 H new ATOM 983 N THR A 63 10.688 -2.155 6.791 1.00 0.00 N ATOM 984 CA THR A 63 10.768 -2.707 8.143 1.00 0.00 C ATOM 985 C THR A 63 11.507 -4.041 8.155 1.00 0.00 C ATOM 986 O THR A 63 12.308 -4.307 9.053 1.00 0.00 O ATOM 987 CB THR A 63 9.369 -2.901 8.761 1.00 0.00 C ATOM 988 OG1 THR A 63 8.703 -1.636 8.870 1.00 0.00 O ATOM 989 CG2 THR A 63 9.466 -3.542 10.138 1.00 0.00 C ATOM 0 H THR A 63 10.356 -2.812 6.085 1.00 0.00 H new ATOM 0 HA THR A 63 11.322 -1.984 8.741 1.00 0.00 H new ATOM 0 HB THR A 63 8.799 -3.562 8.108 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.215 -1.595 9.719 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.466 -3.668 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.949 -4.516 10.053 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.053 -2.902 10.797 1.00 0.00 H new ATOM 997 N LYS A 64 11.225 -4.882 7.168 1.00 0.00 N ATOM 998 CA LYS A 64 11.787 -6.227 7.128 1.00 0.00 C ATOM 999 C LYS A 64 13.050 -6.269 6.271 1.00 0.00 C ATOM 1000 O LYS A 64 13.443 -7.328 5.779 1.00 0.00 O ATOM 1001 CB LYS A 64 10.753 -7.217 6.588 1.00 0.00 C ATOM 1002 CG LYS A 64 9.463 -7.244 7.393 1.00 0.00 C ATOM 1003 CD LYS A 64 9.686 -7.773 8.805 1.00 0.00 C ATOM 1004 CE LYS A 64 9.839 -9.287 8.825 1.00 0.00 C ATOM 1005 NZ LYS A 64 11.098 -9.735 8.167 1.00 0.00 N ATOM 0 H LYS A 64 10.611 -4.657 6.385 1.00 0.00 H new ATOM 0 HA LYS A 64 12.056 -6.511 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.522 -6.961 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.188 -8.216 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.045 -6.238 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.730 -7.868 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.578 -7.312 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.847 -7.484 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.826 -9.638 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.986 -9.743 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.471 -10.570 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.903 -9.979 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.800 -8.969 8.203 1.00 0.00 H new ATOM 1019 N ARG A 65 13.680 -5.111 6.106 1.00 0.00 N ATOM 1020 CA ARG A 65 14.917 -5.006 5.337 1.00 0.00 C ATOM 1021 C ARG A 65 14.722 -5.526 3.915 1.00 0.00 C ATOM 1022 O ARG A 65 15.331 -6.518 3.513 1.00 0.00 O ATOM 1023 CB ARG A 65 16.044 -5.775 6.032 1.00 0.00 C ATOM 1024 CG ARG A 65 17.411 -5.558 5.403 1.00 0.00 C ATOM 1025 CD ARG A 65 18.485 -6.367 6.113 1.00 0.00 C ATOM 1026 NE ARG A 65 18.211 -7.800 6.070 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.008 -8.721 6.603 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.126 -8.358 7.219 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.687 -10.004 6.522 1.00 0.00 N ATOM 0 H ARG A 65 13.353 -4.227 6.496 1.00 0.00 H new ATOM 0 HA ARG A 65 15.192 -3.953 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.084 -5.475 7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.810 -6.840 6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.378 -5.840 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.667 -4.499 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.452 -6.169 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.556 -6.043 7.151 1.00 0.00 H new ATOM 0 HE ARG A 65 17.359 -8.113 5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.375 -7.371 7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.736 -9.066 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.828 -10.286 6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.299 -10.710 6.931 1.00 0.00 H new ATOM 1043 N LEU A 66 13.868 -4.848 3.158 1.00 0.00 N ATOM 1044 CA LEU A 66 13.586 -5.235 1.783 1.00 0.00 C ATOM 1045 C LEU A 66 13.917 -4.100 0.819 1.00 0.00 C ATOM 1046 O LEU A 66 13.948 -4.293 -0.396 1.00 0.00 O ATOM 1047 CB LEU A 66 12.115 -5.626 1.647 1.00 0.00 C ATOM 1048 CG LEU A 66 11.559 -6.439 2.816 1.00 0.00 C ATOM 1049 CD1 LEU A 66 10.066 -6.654 2.654 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.284 -7.771 2.933 1.00 0.00 C ATOM 0 H LEU A 66 13.357 -4.024 3.476 1.00 0.00 H new ATOM 0 HA LEU A 66 14.212 -6.090 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.521 -4.719 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.989 -6.201 0.730 1.00 0.00 H new ATOM 0 HG LEU A 66 11.725 -5.877 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.689 -7.235 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.561 -5.689 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.875 -7.193 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.875 -8.336 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.151 -8.340 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.346 -7.594 3.100 1.00 0.00 H new ATOM 1062 N TYR A 67 14.162 -2.915 1.370 1.00 0.00 N ATOM 1063 CA TYR A 67 14.475 -1.744 0.559 1.00 0.00 C ATOM 1064 C TYR A 67 15.890 -1.832 0.000 1.00 0.00 C ATOM 1065 O TYR A 67 16.592 -2.820 0.215 1.00 0.00 O ATOM 1066 CB TYR A 67 14.316 -0.467 1.387 1.00 0.00 C ATOM 1067 CG TYR A 67 15.336 -0.327 2.495 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.133 -0.925 3.733 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.500 0.404 2.301 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.064 -0.795 4.747 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.435 0.537 3.309 1.00 0.00 C ATOM 1072 CZ TYR A 67 17.213 -0.063 4.529 1.00 0.00 C ATOM 1073 OH TYR A 67 18.143 0.066 5.536 1.00 0.00 O ATOM 0 H TYR A 67 14.150 -2.741 2.375 1.00 0.00 H new ATOM 0 HA TYR A 67 13.777 -1.714 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.392 0.396 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.317 -0.449 1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.235 -1.500 3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.677 0.877 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.893 -1.264 5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.336 1.109 3.141 1.00 0.00 H new ATOM 0 HH TYR A 67 18.894 0.611 5.220 1.00 0.00 H new ATOM 1083 N ASP A 68 16.305 -0.794 -0.717 1.00 0.00 N ATOM 1084 CA ASP A 68 17.638 -0.755 -1.306 1.00 0.00 C ATOM 1085 C ASP A 68 18.711 -0.654 -0.223 1.00 0.00 C ATOM 1086 O ASP A 68 19.137 -1.669 0.332 1.00 0.00 O ATOM 1087 CB ASP A 68 17.755 0.420 -2.288 1.00 0.00 C ATOM 1088 CG ASP A 68 19.181 0.661 -2.745 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.952 -0.317 -2.831 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.526 1.830 -3.017 1.00 0.00 O ATOM 0 H ASP A 68 15.737 0.032 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 68 17.795 -1.685 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.127 0.225 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.372 1.324 -1.814 1.00 0.00 H new ATOM 1095 N GLU A 69 19.140 0.572 0.074 1.00 0.00 N ATOM 1096 CA GLU A 69 20.181 0.809 1.072 1.00 0.00 C ATOM 1097 C GLU A 69 20.553 2.287 1.111 1.00 0.00 C ATOM 1098 O GLU A 69 20.942 2.814 2.154 1.00 0.00 O ATOM 1099 CB GLU A 69 21.427 -0.028 0.763 1.00 0.00 C ATOM 1100 CG GLU A 69 22.544 0.142 1.781 1.00 0.00 C ATOM 1101 CD GLU A 69 22.130 -0.276 3.178 1.00 0.00 C ATOM 1102 OE1 GLU A 69 22.309 -1.463 3.521 1.00 0.00 O ATOM 1103 OE2 GLU A 69 21.628 0.587 3.931 1.00 0.00 O ATOM 0 H GLU A 69 18.780 1.420 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 69 19.790 0.513 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.145 -1.080 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.802 0.244 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 69 23.406 -0.448 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.860 1.185 1.797 1.00 0.00 H new ATOM 1110 N LYS A 70 20.425 2.948 -0.034 1.00 0.00 N ATOM 1111 CA LYS A 70 20.718 4.375 -0.133 1.00 0.00 C ATOM 1112 C LYS A 70 19.437 5.160 -0.371 1.00 0.00 C ATOM 1113 O LYS A 70 18.964 5.882 0.507 1.00 0.00 O ATOM 1114 CB LYS A 70 21.711 4.638 -1.267 1.00 0.00 C ATOM 1115 CG LYS A 70 23.028 3.897 -1.106 1.00 0.00 C ATOM 1116 CD LYS A 70 23.970 4.176 -2.266 1.00 0.00 C ATOM 1117 CE LYS A 70 25.282 3.424 -2.114 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.074 1.950 -2.063 1.00 0.00 N ATOM 0 H LYS A 70 20.120 2.519 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 70 21.164 4.703 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.254 4.348 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.910 5.708 -1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.502 4.195 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.838 2.826 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.491 3.888 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.168 5.246 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.940 3.669 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.785 3.751 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.982 1.466 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.692 1.685 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.403 1.668 -2.806 1.00 0.00 H new ATOM 1132 N GLN A 71 18.848 4.964 -1.545 1.00 0.00 N ATOM 1133 CA GLN A 71 17.467 5.359 -1.779 1.00 0.00 C ATOM 1134 C GLN A 71 16.526 4.230 -1.378 1.00 0.00 C ATOM 1135 O GLN A 71 16.233 3.340 -2.175 1.00 0.00 O ATOM 1136 CB GLN A 71 17.257 5.721 -3.251 1.00 0.00 C ATOM 1137 CG GLN A 71 18.110 6.889 -3.718 1.00 0.00 C ATOM 1138 CD GLN A 71 17.872 7.241 -5.173 1.00 0.00 C ATOM 1139 OE1 GLN A 71 18.538 6.716 -6.067 1.00 0.00 O ATOM 1140 NE2 GLN A 71 16.919 8.132 -5.418 1.00 0.00 N ATOM 0 H GLN A 71 19.306 4.534 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 71 17.248 6.236 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.481 4.850 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.206 5.963 -3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.897 7.760 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.163 6.645 -3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.393 8.541 -4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.713 8.408 -6.378 1.00 0.00 H new ATOM 1149 N GLN A 72 16.074 4.262 -0.127 1.00 0.00 N ATOM 1150 CA GLN A 72 15.250 3.190 0.422 1.00 0.00 C ATOM 1151 C GLN A 72 13.990 2.984 -0.412 1.00 0.00 C ATOM 1152 O GLN A 72 13.297 1.977 -0.270 1.00 0.00 O ATOM 1153 CB GLN A 72 14.871 3.506 1.870 1.00 0.00 C ATOM 1154 CG GLN A 72 16.070 3.764 2.770 1.00 0.00 C ATOM 1155 CD GLN A 72 15.675 4.051 4.208 1.00 0.00 C ATOM 1156 OE1 GLN A 72 16.415 3.737 5.139 1.00 0.00 O ATOM 1157 NE2 GLN A 72 14.505 4.652 4.394 1.00 0.00 N ATOM 0 H GLN A 72 16.265 5.021 0.527 1.00 0.00 H new ATOM 0 HA GLN A 72 15.832 2.269 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.221 4.381 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.295 2.675 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.730 2.897 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.638 4.608 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.923 4.895 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.189 4.871 5.339 1.00 0.00 H new ATOM 1166 N HIS A 73 13.698 3.948 -1.280 1.00 0.00 N ATOM 1167 CA HIS A 73 12.512 3.885 -2.123 1.00 0.00 C ATOM 1168 C HIS A 73 12.648 2.801 -3.186 1.00 0.00 C ATOM 1169 O HIS A 73 11.682 2.484 -3.875 1.00 0.00 O ATOM 1170 CB HIS A 73 12.264 5.240 -2.793 1.00 0.00 C ATOM 1171 CG HIS A 73 12.345 6.399 -1.852 1.00 0.00 C ATOM 1172 ND1 HIS A 73 11.448 6.601 -0.823 1.00 0.00 N ATOM 1173 CD2 HIS A 73 13.225 7.424 -1.787 1.00 0.00 C ATOM 1174 CE1 HIS A 73 11.774 7.701 -0.167 1.00 0.00 C ATOM 1175 NE2 HIS A 73 12.849 8.219 -0.731 1.00 0.00 N ATOM 0 H HIS A 73 14.268 4.783 -1.417 1.00 0.00 H new ATOM 0 HA HIS A 73 11.663 3.637 -1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.993 5.380 -3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.279 5.230 -3.259 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.067 7.587 -2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 73 11.250 8.107 0.686 1.00 0.00 H new ATOM 0 HE2 HIS A 73 13.324 9.071 -0.432 1.00 0.00 H new ATOM 1184 N ILE A 74 13.843 2.223 -3.317 1.00 0.00 N ATOM 1185 CA ILE A 74 14.051 1.136 -4.267 1.00 0.00 C ATOM 1186 C ILE A 74 13.982 -0.211 -3.561 1.00 0.00 C ATOM 1187 O ILE A 74 14.958 -0.660 -2.965 1.00 0.00 O ATOM 1188 CB ILE A 74 15.405 1.251 -4.995 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.696 2.703 -5.373 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.404 0.373 -6.237 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.620 3.341 -6.226 1.00 0.00 C ATOM 0 H ILE A 74 14.671 2.487 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 74 13.255 1.211 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 74 16.190 0.911 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.818 3.288 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.644 2.746 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.364 0.460 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.239 -0.665 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.608 0.694 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.898 4.370 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.512 2.781 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.674 3.332 -5.685 1.00 0.00 H new ATOM 1203 N VAL A 75 12.807 -0.823 -3.595 1.00 0.00 N ATOM 1204 CA VAL A 75 12.515 -1.953 -2.725 1.00 0.00 C ATOM 1205 C VAL A 75 12.740 -3.275 -3.438 1.00 0.00 C ATOM 1206 O VAL A 75 11.833 -3.803 -4.084 1.00 0.00 O ATOM 1207 CB VAL A 75 11.067 -1.903 -2.221 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.901 -2.779 -0.989 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.659 -0.467 -1.939 1.00 0.00 C ATOM 0 H VAL A 75 12.042 -0.557 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 75 13.198 -1.882 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 75 10.409 -2.294 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.868 -2.731 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.153 -3.810 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.563 -2.425 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.629 -0.445 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.316 -0.045 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.739 0.120 -2.854 1.00 0.00 H new ATOM 1219 N TYR A 76 13.947 -3.810 -3.305 1.00 0.00 N ATOM 1220 CA TYR A 76 14.275 -5.113 -3.865 1.00 0.00 C ATOM 1221 C TYR A 76 13.437 -6.211 -3.218 1.00 0.00 C ATOM 1222 O TYR A 76 13.503 -6.427 -2.009 1.00 0.00 O ATOM 1223 CB TYR A 76 15.765 -5.399 -3.677 1.00 0.00 C ATOM 1224 CG TYR A 76 16.656 -4.241 -4.078 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.281 -3.370 -5.093 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.871 -4.018 -3.439 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.090 -2.314 -5.462 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.683 -2.963 -3.804 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.289 -2.114 -4.815 1.00 0.00 C ATOM 1230 OH TYR A 76 19.097 -1.064 -5.181 1.00 0.00 O ATOM 0 H TYR A 76 14.717 -3.359 -2.812 1.00 0.00 H new ATOM 0 HA TYR A 76 14.046 -5.099 -4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 76 15.951 -5.646 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.036 -6.276 -4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.341 -3.521 -5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.184 -4.680 -2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.784 -1.648 -6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.624 -2.804 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 76 19.785 -0.926 -4.496 1.00 0.00 H new ATOM 1240 N CYS A 77 12.629 -6.885 -4.033 1.00 0.00 N ATOM 1241 CA CYS A 77 11.674 -7.864 -3.522 1.00 0.00 C ATOM 1242 C CYS A 77 11.960 -9.252 -4.087 1.00 0.00 C ATOM 1243 O CYS A 77 11.132 -9.832 -4.791 1.00 0.00 O ATOM 1244 CB CYS A 77 10.244 -7.440 -3.869 1.00 0.00 C ATOM 1245 SG CYS A 77 9.776 -5.820 -3.216 1.00 0.00 S ATOM 0 H CYS A 77 12.617 -6.772 -5.047 1.00 0.00 H new ATOM 0 HA CYS A 77 11.780 -7.907 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.133 -7.429 -4.953 1.00 0.00 H new ATOM 0 HB3 CYS A 77 9.551 -8.189 -3.485 1.00 0.00 H new ATOM 0 HG CYS A 77 10.583 -4.914 -3.683 1.00 0.00 H new ATOM 1251 N SER A 78 13.141 -9.778 -3.777 1.00 0.00 N ATOM 1252 CA SER A 78 13.559 -11.080 -4.289 1.00 0.00 C ATOM 1253 C SER A 78 13.212 -12.195 -3.306 1.00 0.00 C ATOM 1254 O SER A 78 13.401 -13.375 -3.601 1.00 0.00 O ATOM 1255 CB SER A 78 15.063 -11.081 -4.567 1.00 0.00 C ATOM 1256 OG SER A 78 15.486 -12.327 -5.090 1.00 0.00 O ATOM 0 H SER A 78 13.826 -9.323 -3.174 1.00 0.00 H new ATOM 0 HA SER A 78 13.021 -11.264 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.306 -10.286 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.606 -10.867 -3.646 1.00 0.00 H new ATOM 0 HG SER A 78 14.882 -13.034 -4.780 1.00 0.00 H new ATOM 1262 N ASN A 79 12.706 -11.814 -2.136 1.00 0.00 N ATOM 1263 CA ASN A 79 12.337 -12.783 -1.109 1.00 0.00 C ATOM 1264 C ASN A 79 10.912 -12.542 -0.621 1.00 0.00 C ATOM 1265 O ASN A 79 10.055 -13.420 -0.722 1.00 0.00 O ATOM 1266 CB ASN A 79 13.312 -12.705 0.067 1.00 0.00 C ATOM 1267 CG ASN A 79 12.973 -13.695 1.166 1.00 0.00 C ATOM 1268 OD1 ASN A 79 12.213 -13.385 2.083 1.00 0.00 O ATOM 1269 ND2 ASN A 79 13.538 -14.893 1.078 1.00 0.00 N ATOM 0 H ASN A 79 12.542 -10.841 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 79 12.387 -13.779 -1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.324 -12.895 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.303 -11.695 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.348 -15.600 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.162 -15.107 0.300 1.00 0.00 H new ATOM 1276 N ASP A 80 10.667 -11.344 -0.103 1.00 0.00 N ATOM 1277 CA ASP A 80 9.330 -10.951 0.334 1.00 0.00 C ATOM 1278 C ASP A 80 8.316 -11.110 -0.795 1.00 0.00 C ATOM 1279 O ASP A 80 7.116 -11.287 -0.557 1.00 0.00 O ATOM 1280 CB ASP A 80 9.342 -9.500 0.818 1.00 0.00 C ATOM 1281 CG ASP A 80 10.193 -8.603 -0.059 1.00 0.00 C ATOM 1282 OD1 ASP A 80 11.429 -8.604 0.111 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.622 -7.893 -0.913 1.00 0.00 O ATOM 0 H ASP A 80 11.379 -10.625 0.025 1.00 0.00 H new ATOM 0 HA ASP A 80 9.036 -11.605 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.321 -9.119 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.717 -9.465 1.841 1.00 0.00 H new ATOM 1288 N LEU A 81 8.802 -10.998 -2.028 1.00 0.00 N ATOM 1289 CA LEU A 81 7.925 -10.847 -3.177 1.00 0.00 C ATOM 1290 C LEU A 81 6.925 -9.726 -2.933 1.00 0.00 C ATOM 1291 O LEU A 81 5.859 -9.682 -3.552 1.00 0.00 O ATOM 1292 CB LEU A 81 7.188 -12.158 -3.467 1.00 0.00 C ATOM 1293 CG LEU A 81 8.088 -13.358 -3.775 1.00 0.00 C ATOM 1294 CD1 LEU A 81 7.250 -14.607 -3.998 1.00 0.00 C ATOM 1295 CD2 LEU A 81 8.961 -13.075 -4.989 1.00 0.00 C ATOM 0 H LEU A 81 9.797 -11.009 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 81 8.534 -10.593 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.564 -12.403 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.518 -12.000 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 81 8.740 -13.529 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.905 -15.451 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.669 -14.821 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.574 -14.446 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.593 -13.939 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.328 -12.877 -5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.588 -12.205 -4.792 1.00 0.00 H new ATOM 1307 N LEU A 82 7.273 -8.826 -2.011 1.00 0.00 N ATOM 1308 CA LEU A 82 6.396 -7.718 -1.657 1.00 0.00 C ATOM 1309 C LEU A 82 4.989 -8.225 -1.443 1.00 0.00 C ATOM 1310 O LEU A 82 4.024 -7.658 -1.943 1.00 0.00 O ATOM 1311 CB LEU A 82 6.426 -6.665 -2.757 1.00 0.00 C ATOM 1312 CG LEU A 82 5.857 -5.288 -2.388 1.00 0.00 C ATOM 1313 CD1 LEU A 82 4.550 -5.035 -3.111 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.683 -5.134 -0.881 1.00 0.00 C ATOM 0 H LEU A 82 8.155 -8.846 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 82 6.744 -7.262 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.459 -6.534 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.871 -7.047 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 82 6.579 -4.538 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.165 -4.053 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.717 -5.069 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.826 -5.800 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.278 -4.146 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.997 -5.897 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.649 -5.248 -0.390 1.00 0.00 H new ATOM 1326 N GLY A 83 4.885 -9.290 -0.675 1.00 0.00 N ATOM 1327 CA GLY A 83 3.593 -9.749 -0.243 1.00 0.00 C ATOM 1328 C GLY A 83 3.184 -11.044 -0.900 1.00 0.00 C ATOM 1329 O GLY A 83 2.080 -11.528 -0.665 1.00 0.00 O ATOM 0 H GLY A 83 5.674 -9.845 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.603 -9.883 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.848 -8.984 -0.463 1.00 0.00 H new ATOM 1333 N ASP A 84 4.043 -11.562 -1.782 1.00 0.00 N ATOM 1334 CA ASP A 84 3.594 -12.448 -2.855 1.00 0.00 C ATOM 1335 C ASP A 84 2.867 -11.649 -3.928 1.00 0.00 C ATOM 1336 O ASP A 84 2.364 -12.207 -4.901 1.00 0.00 O ATOM 1337 CB ASP A 84 2.650 -13.515 -2.309 1.00 0.00 C ATOM 1338 CG ASP A 84 3.291 -14.367 -1.232 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.503 -14.646 -1.338 1.00 0.00 O ATOM 1340 OD2 ASP A 84 2.578 -14.756 -0.282 1.00 0.00 O ATOM 0 H ASP A 84 5.047 -11.384 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 84 4.473 -12.928 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.760 -13.034 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.322 -14.157 -3.127 1.00 0.00 H new ATOM 1345 N LEU A 85 2.745 -10.349 -3.690 1.00 0.00 N ATOM 1346 CA LEU A 85 1.707 -9.553 -4.322 1.00 0.00 C ATOM 1347 C LEU A 85 2.230 -8.876 -5.584 1.00 0.00 C ATOM 1348 O LEU A 85 1.496 -8.694 -6.554 1.00 0.00 O ATOM 1349 CB LEU A 85 1.178 -8.517 -3.324 1.00 0.00 C ATOM 1350 CG LEU A 85 1.533 -7.066 -3.629 1.00 0.00 C ATOM 1351 CD1 LEU A 85 0.533 -6.477 -4.610 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.580 -6.245 -2.350 1.00 0.00 C ATOM 0 H LEU A 85 3.355 -9.825 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 85 0.889 -10.210 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.092 -8.605 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.560 -8.765 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 85 2.523 -7.038 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.797 -5.440 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.551 -7.051 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.467 -6.516 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.835 -5.213 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.605 -6.274 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.333 -6.659 -1.680 1.00 0.00 H new ATOM 1364 N PHE A 86 3.499 -8.493 -5.555 1.00 0.00 N ATOM 1365 CA PHE A 86 4.101 -7.757 -6.658 1.00 0.00 C ATOM 1366 C PHE A 86 5.310 -8.500 -7.214 1.00 0.00 C ATOM 1367 O PHE A 86 5.641 -8.379 -8.393 1.00 0.00 O ATOM 1368 CB PHE A 86 4.507 -6.356 -6.192 1.00 0.00 C ATOM 1369 CG PHE A 86 3.571 -5.255 -6.628 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.380 -5.547 -7.276 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.888 -3.925 -6.385 1.00 0.00 C ATOM 1372 CE1 PHE A 86 1.526 -4.538 -7.674 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.036 -2.910 -6.782 1.00 0.00 C ATOM 1374 CZ PHE A 86 1.854 -3.220 -7.427 1.00 0.00 C ATOM 0 H PHE A 86 4.133 -8.680 -4.778 1.00 0.00 H new ATOM 0 HA PHE A 86 3.363 -7.668 -7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.569 -6.353 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.506 -6.137 -6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.118 -6.576 -7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.811 -3.680 -5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.602 -4.780 -8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.294 -1.879 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.186 -2.430 -7.738 1.00 0.00 H new ATOM 1384 N GLY A 87 5.961 -9.276 -6.350 1.00 0.00 N ATOM 1385 CA GLY A 87 7.101 -10.069 -6.769 1.00 0.00 C ATOM 1386 C GLY A 87 8.196 -9.230 -7.397 1.00 0.00 C ATOM 1387 O GLY A 87 9.085 -9.760 -8.065 1.00 0.00 O ATOM 0 H GLY A 87 5.717 -9.369 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.505 -10.601 -5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.771 -10.823 -7.484 1.00 0.00 H new ATOM 1391 N VAL A 88 8.118 -7.916 -7.197 1.00 0.00 N ATOM 1392 CA VAL A 88 9.035 -6.983 -7.833 1.00 0.00 C ATOM 1393 C VAL A 88 10.481 -7.447 -7.741 1.00 0.00 C ATOM 1394 O VAL A 88 10.876 -8.090 -6.772 1.00 0.00 O ATOM 1395 CB VAL A 88 8.956 -5.581 -7.201 1.00 0.00 C ATOM 1396 CG1 VAL A 88 9.008 -4.540 -8.292 1.00 0.00 C ATOM 1397 CG2 VAL A 88 7.710 -5.407 -6.346 1.00 0.00 C ATOM 0 H VAL A 88 7.423 -7.475 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 88 8.726 -6.942 -8.877 1.00 0.00 H new ATOM 0 HB VAL A 88 9.810 -5.457 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.952 -3.546 -7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.942 -4.639 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.167 -4.682 -8.971 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.697 -4.403 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.823 -5.551 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.716 -6.142 -5.541 1.00 0.00 H new ATOM 1407 N PRO A 89 11.313 -7.025 -8.708 1.00 0.00 N ATOM 1408 CA PRO A 89 12.741 -6.841 -8.477 1.00 0.00 C ATOM 1409 C PRO A 89 13.012 -5.635 -7.585 1.00 0.00 C ATOM 1410 O PRO A 89 13.905 -5.664 -6.739 1.00 0.00 O ATOM 1411 CB PRO A 89 13.301 -6.612 -9.880 1.00 0.00 C ATOM 1412 CG PRO A 89 12.170 -6.018 -10.644 1.00 0.00 C ATOM 1413 CD PRO A 89 10.914 -6.619 -10.071 1.00 0.00 C ATOM 0 HA PRO A 89 13.194 -7.690 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.160 -5.942 -9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 89 13.636 -7.546 -10.330 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.162 -4.932 -10.546 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.259 -6.242 -11.707 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.097 -5.897 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.573 -7.471 -10.659 1.00 0.00 H new ATOM 1421 N SER A 90 12.215 -4.586 -7.773 1.00 0.00 N ATOM 1422 CA SER A 90 12.303 -3.382 -6.952 1.00 0.00 C ATOM 1423 C SER A 90 11.182 -2.414 -7.307 1.00 0.00 C ATOM 1424 O SER A 90 10.897 -2.197 -8.485 1.00 0.00 O ATOM 1425 CB SER A 90 13.650 -2.692 -7.145 1.00 0.00 C ATOM 1426 OG SER A 90 13.903 -2.435 -8.514 1.00 0.00 O ATOM 0 H SER A 90 11.495 -4.547 -8.494 1.00 0.00 H new ATOM 0 HA SER A 90 12.205 -3.680 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.665 -1.755 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.444 -3.318 -6.737 1.00 0.00 H new ATOM 0 HG SER A 90 14.772 -1.991 -8.608 1.00 0.00 H new ATOM 1432 N PHE A 91 10.551 -1.823 -6.297 1.00 0.00 N ATOM 1433 CA PHE A 91 9.497 -0.844 -6.551 1.00 0.00 C ATOM 1434 C PHE A 91 9.803 0.486 -5.877 1.00 0.00 C ATOM 1435 O PHE A 91 10.413 0.527 -4.811 1.00 0.00 O ATOM 1436 CB PHE A 91 8.123 -1.363 -6.107 1.00 0.00 C ATOM 1437 CG PHE A 91 7.913 -1.447 -4.619 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.600 -0.317 -3.872 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.998 -2.665 -3.969 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.378 -0.407 -2.512 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.781 -2.757 -2.610 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.469 -1.629 -1.881 1.00 0.00 C ATOM 0 H PHE A 91 10.745 -2.000 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 91 9.465 -0.684 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.355 -0.714 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.973 -2.354 -6.534 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.530 0.643 -4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.237 -3.555 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.134 0.478 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.856 -3.714 -2.116 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.296 -1.703 -0.817 1.00 0.00 H new ATOM 1452 N SER A 92 9.368 1.573 -6.508 1.00 0.00 N ATOM 1453 CA SER A 92 9.555 2.906 -5.950 1.00 0.00 C ATOM 1454 C SER A 92 8.363 3.301 -5.089 1.00 0.00 C ATOM 1455 O SER A 92 7.393 3.880 -5.581 1.00 0.00 O ATOM 1456 CB SER A 92 9.759 3.931 -7.067 1.00 0.00 C ATOM 1457 OG SER A 92 8.709 3.868 -8.017 1.00 0.00 O ATOM 0 H SER A 92 8.884 1.556 -7.406 1.00 0.00 H new ATOM 0 HA SER A 92 10.446 2.889 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.808 4.933 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.713 3.749 -7.562 1.00 0.00 H new ATOM 0 HG SER A 92 7.858 3.717 -7.555 1.00 0.00 H new ATOM 1463 N VAL A 93 8.442 2.989 -3.801 1.00 0.00 N ATOM 1464 CA VAL A 93 7.399 3.362 -2.857 1.00 0.00 C ATOM 1465 C VAL A 93 7.178 4.871 -2.866 1.00 0.00 C ATOM 1466 O VAL A 93 6.059 5.346 -2.675 1.00 0.00 O ATOM 1467 CB VAL A 93 7.748 2.911 -1.424 1.00 0.00 C ATOM 1468 CG1 VAL A 93 8.938 3.692 -0.892 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.545 3.064 -0.507 1.00 0.00 C ATOM 0 H VAL A 93 9.221 2.477 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 93 6.485 2.857 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 93 8.021 1.856 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.169 3.359 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.801 3.522 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.699 4.755 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.811 2.741 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.237 4.109 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.724 2.452 -0.879 1.00 0.00 H new ATOM 1479 N LYS A 94 8.254 5.617 -3.104 1.00 0.00 N ATOM 1480 CA LYS A 94 8.177 7.070 -3.195 1.00 0.00 C ATOM 1481 C LYS A 94 7.115 7.488 -4.207 1.00 0.00 C ATOM 1482 O LYS A 94 6.488 8.538 -4.069 1.00 0.00 O ATOM 1483 CB LYS A 94 9.537 7.646 -3.593 1.00 0.00 C ATOM 1484 CG LYS A 94 9.579 9.165 -3.598 1.00 0.00 C ATOM 1485 CD LYS A 94 10.943 9.684 -4.026 1.00 0.00 C ATOM 1486 CE LYS A 94 10.987 11.203 -4.023 1.00 0.00 C ATOM 1487 NZ LYS A 94 9.980 11.789 -4.950 1.00 0.00 N ATOM 0 H LYS A 94 9.191 5.237 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 94 7.898 7.463 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.295 7.273 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.800 7.281 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.814 9.549 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.342 9.540 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.708 9.295 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.177 9.314 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.807 11.569 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.984 11.538 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.183 12.800 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.024 11.298 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.029 11.679 -4.544 1.00 0.00 H new ATOM 1501 N GLU A 95 6.910 6.646 -5.213 1.00 0.00 N ATOM 1502 CA GLU A 95 5.846 6.856 -6.186 1.00 0.00 C ATOM 1503 C GLU A 95 4.557 6.176 -5.731 1.00 0.00 C ATOM 1504 O GLU A 95 4.048 5.281 -6.402 1.00 0.00 O ATOM 1505 CB GLU A 95 6.268 6.314 -7.554 1.00 0.00 C ATOM 1506 CG GLU A 95 7.548 6.937 -8.088 1.00 0.00 C ATOM 1507 CD GLU A 95 7.435 8.438 -8.266 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.748 9.176 -7.307 1.00 0.00 O ATOM 1509 OE2 GLU A 95 7.038 8.877 -9.366 1.00 0.00 O ATOM 0 H GLU A 95 7.469 5.809 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 95 5.662 7.927 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.402 5.235 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.463 6.489 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.368 6.717 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.799 6.479 -9.045 1.00 0.00 H new ATOM 1516 N HIS A 96 4.042 6.601 -4.580 1.00 0.00 N ATOM 1517 CA HIS A 96 2.842 5.998 -4.010 1.00 0.00 C ATOM 1518 C HIS A 96 1.675 6.071 -4.988 1.00 0.00 C ATOM 1519 O HIS A 96 0.766 5.240 -4.947 1.00 0.00 O ATOM 1520 CB HIS A 96 2.460 6.694 -2.700 1.00 0.00 C ATOM 1521 CG HIS A 96 3.501 6.586 -1.630 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.448 7.562 -1.400 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.736 5.614 -0.718 1.00 0.00 C ATOM 1524 CE1 HIS A 96 5.220 7.194 -0.393 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.810 6.017 0.039 1.00 0.00 N ATOM 0 H HIS A 96 4.437 7.360 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 96 3.062 4.950 -3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.269 7.748 -2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.528 6.266 -2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.183 4.693 -0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 96 6.047 7.761 0.009 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.223 5.491 0.810 1.00 0.00 H new ATOM 1534 N ARG A 97 1.706 7.067 -5.867 1.00 0.00 N ATOM 1535 CA ARG A 97 0.658 7.235 -6.865 1.00 0.00 C ATOM 1536 C ARG A 97 0.516 5.977 -7.715 1.00 0.00 C ATOM 1537 O ARG A 97 -0.512 5.301 -7.676 1.00 0.00 O ATOM 1538 CB ARG A 97 0.960 8.439 -7.758 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.113 8.708 -8.801 1.00 0.00 C ATOM 1540 CD ARG A 97 0.226 9.922 -9.650 1.00 0.00 C ATOM 1541 NE ARG A 97 1.478 9.747 -10.383 1.00 0.00 N ATOM 1542 CZ ARG A 97 1.954 10.633 -11.252 1.00 0.00 C ATOM 1543 NH1 ARG A 97 1.286 11.752 -11.498 1.00 0.00 N ATOM 1544 NH2 ARG A 97 3.100 10.401 -11.876 1.00 0.00 N ATOM 0 H ARG A 97 2.445 7.769 -5.908 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.283 7.410 -6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.077 9.324 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.913 8.277 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.225 7.834 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.071 8.865 -8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.584 10.108 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.300 10.802 -9.011 1.00 0.00 H new ATOM 0 HE ARG A 97 2.017 8.897 -10.218 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.404 11.935 -11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.654 12.430 -12.165 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.617 9.542 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.465 11.081 -12.543 1.00 0.00 H new ATOM 1558 N LYS A 98 1.556 5.665 -8.482 1.00 0.00 N ATOM 1559 CA LYS A 98 1.538 4.497 -9.355 1.00 0.00 C ATOM 1560 C LYS A 98 1.590 3.207 -8.544 1.00 0.00 C ATOM 1561 O LYS A 98 0.824 2.278 -8.793 1.00 0.00 O ATOM 1562 CB LYS A 98 2.713 4.547 -10.334 1.00 0.00 C ATOM 1563 CG LYS A 98 2.707 5.771 -11.235 1.00 0.00 C ATOM 1564 CD LYS A 98 1.496 5.785 -12.155 1.00 0.00 C ATOM 1565 CE LYS A 98 1.489 7.015 -13.050 1.00 0.00 C ATOM 1566 NZ LYS A 98 0.305 7.039 -13.952 1.00 0.00 N ATOM 0 H LYS A 98 2.421 6.204 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 98 0.605 4.511 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.645 4.527 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.696 3.651 -10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.710 6.673 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.618 5.788 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.496 4.886 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.584 5.763 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.493 7.913 -12.432 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.401 7.035 -13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.338 7.893 -14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.314 6.195 -14.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.565 7.046 -13.383 1.00 0.00 H new ATOM 1580 N ILE A 99 2.510 3.159 -7.589 1.00 0.00 N ATOM 1581 CA ILE A 99 2.766 1.944 -6.819 1.00 0.00 C ATOM 1582 C ILE A 99 1.476 1.389 -6.214 1.00 0.00 C ATOM 1583 O ILE A 99 1.294 0.174 -6.128 1.00 0.00 O ATOM 1584 CB ILE A 99 3.823 2.201 -5.711 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.736 0.982 -5.545 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.170 2.560 -4.386 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.070 -0.201 -4.873 1.00 0.00 C ATOM 0 H ILE A 99 3.096 3.952 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 99 3.164 1.197 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 99 4.427 3.053 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.095 0.674 -6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.610 1.273 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.941 2.733 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.573 3.464 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.527 1.741 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.782 -1.022 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.735 0.087 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.213 -0.521 -5.465 1.00 0.00 H new ATOM 1599 N TYR A 100 0.572 2.280 -5.820 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.692 1.866 -5.224 1.00 0.00 C ATOM 1601 C TYR A 100 -1.769 1.658 -6.283 1.00 0.00 C ATOM 1602 O TYR A 100 -2.671 0.836 -6.108 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.155 2.895 -4.193 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.589 2.645 -2.814 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.530 1.840 -2.646 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.172 3.203 -1.685 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.050 1.597 -1.394 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.655 2.967 -0.425 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.456 2.161 -0.286 1.00 0.00 C ATOM 1610 OH TYR A 100 0.976 1.921 0.966 1.00 0.00 O ATOM 0 H TYR A 100 0.691 3.290 -5.902 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.527 0.911 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.862 3.891 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.244 2.884 -4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.000 1.397 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.044 3.832 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.920 0.967 -1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.117 3.410 0.444 1.00 0.00 H new ATOM 0 HH TYR A 100 1.388 2.740 1.312 1.00 0.00 H new ATOM 1620 N THR A 101 -1.675 2.399 -7.383 1.00 0.00 N ATOM 1621 CA THR A 101 -2.641 2.271 -8.468 1.00 0.00 C ATOM 1622 C THR A 101 -2.385 1.013 -9.292 1.00 0.00 C ATOM 1623 O THR A 101 -3.204 0.635 -10.129 1.00 0.00 O ATOM 1624 CB THR A 101 -2.618 3.497 -9.400 1.00 0.00 C ATOM 1625 OG1 THR A 101 -1.273 3.791 -9.793 1.00 0.00 O ATOM 1626 CG2 THR A 101 -3.233 4.709 -8.717 1.00 0.00 C ATOM 0 H THR A 101 -0.943 3.091 -7.546 1.00 0.00 H new ATOM 0 HA THR A 101 -3.624 2.202 -8.001 1.00 0.00 H new ATOM 0 HB THR A 101 -3.209 3.263 -10.286 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.678 3.077 -9.483 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.205 5.562 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.267 4.491 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.668 4.944 -7.815 1.00 0.00 H new ATOM 1634 N MET A 102 -1.256 0.358 -9.038 1.00 0.00 N ATOM 1635 CA MET A 102 -0.965 -0.922 -9.673 1.00 0.00 C ATOM 1636 C MET A 102 -1.093 -2.071 -8.677 1.00 0.00 C ATOM 1637 O MET A 102 -1.346 -3.212 -9.069 1.00 0.00 O ATOM 1638 CB MET A 102 0.432 -0.914 -10.303 1.00 0.00 C ATOM 1639 CG MET A 102 1.547 -0.559 -9.335 1.00 0.00 C ATOM 1640 SD MET A 102 3.184 -0.903 -10.010 1.00 0.00 S ATOM 1641 CE MET A 102 4.230 -0.397 -8.646 1.00 0.00 C ATOM 0 H MET A 102 -0.532 0.690 -8.401 1.00 0.00 H new ATOM 0 HA MET A 102 -1.699 -1.074 -10.464 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.633 -1.898 -10.727 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.442 -0.203 -11.129 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.478 0.498 -9.079 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.413 -1.121 -8.410 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.074 -1.082 -8.561 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.599 0.613 -8.826 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.654 -0.413 -7.721 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.970 -1.763 -7.387 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.372 -2.704 -6.345 1.00 0.00 C ATOM 1653 C ILE A 103 -2.845 -3.076 -6.488 1.00 0.00 C ATOM 1654 O ILE A 103 -3.207 -4.250 -6.425 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.125 -2.134 -4.930 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.367 -2.170 -4.597 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.924 -2.911 -3.890 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.709 -1.553 -3.258 1.00 0.00 C ATOM 0 H ILE A 103 -0.599 -0.878 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.758 -3.596 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.460 -1.097 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.707 -3.206 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.917 -1.646 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.736 -2.494 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.987 -2.838 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.621 -3.958 -3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.785 -1.616 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.401 -0.507 -3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.188 -2.091 -2.466 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.689 -2.067 -6.683 1.00 0.00 N ATOM 1671 CA TYR A 104 -5.122 -2.289 -6.838 1.00 0.00 C ATOM 1672 C TYR A 104 -5.509 -2.346 -8.313 1.00 0.00 C ATOM 1673 O TYR A 104 -5.415 -1.349 -9.029 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.911 -1.184 -6.135 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.708 -1.153 -4.635 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -6.517 -1.904 -3.791 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.710 -0.374 -4.066 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -6.336 -1.878 -2.422 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.522 -0.344 -2.696 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.337 -1.097 -1.879 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.154 -1.070 -0.516 1.00 0.00 O ATOM 0 H TYR A 104 -3.405 -1.089 -6.737 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.366 -3.247 -6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.620 -0.220 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.972 -1.316 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.300 -2.518 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.070 0.218 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.974 -2.467 -1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.740 0.267 -2.269 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.409 -0.472 -0.298 1.00 0.00 H new ATOM 1691 N ARG A 105 -5.945 -3.520 -8.758 1.00 0.00 N ATOM 1692 CA ARG A 105 -6.365 -3.708 -10.142 1.00 0.00 C ATOM 1693 C ARG A 105 -7.761 -3.133 -10.363 1.00 0.00 C ATOM 1694 O ARG A 105 -8.215 -2.992 -11.498 1.00 0.00 O ATOM 1695 CB ARG A 105 -6.337 -5.197 -10.504 1.00 0.00 C ATOM 1696 CG ARG A 105 -6.512 -5.477 -11.989 1.00 0.00 C ATOM 1697 CD ARG A 105 -7.961 -5.781 -12.338 1.00 0.00 C ATOM 1698 NE ARG A 105 -8.137 -6.037 -13.765 1.00 0.00 N ATOM 1699 CZ ARG A 105 -9.321 -6.061 -14.369 1.00 0.00 C ATOM 1700 NH1 ARG A 105 -10.430 -5.842 -13.674 1.00 0.00 N ATOM 1701 NH2 ARG A 105 -9.396 -6.302 -15.672 1.00 0.00 N ATOM 0 H ARG A 105 -6.017 -4.357 -8.179 1.00 0.00 H new ATOM 0 HA ARG A 105 -5.670 -3.176 -10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -5.389 -5.623 -10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -7.126 -5.709 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.172 -4.616 -12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.884 -6.320 -12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -8.297 -6.649 -11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -8.590 -4.942 -12.040 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.305 -6.207 -14.330 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.376 -5.654 -12.673 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.337 -5.861 -14.141 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.545 -6.469 -16.210 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.304 -6.321 -16.136 1.00 0.00 H new ATOM 1715 N ASN A 106 -8.430 -2.796 -9.262 1.00 0.00 N ATOM 1716 CA ASN A 106 -9.778 -2.237 -9.314 1.00 0.00 C ATOM 1717 C ASN A 106 -10.762 -3.253 -9.886 1.00 0.00 C ATOM 1718 O ASN A 106 -11.436 -2.990 -10.882 1.00 0.00 O ATOM 1719 CB ASN A 106 -9.793 -0.954 -10.154 1.00 0.00 C ATOM 1720 CG ASN A 106 -10.983 -0.060 -9.846 1.00 0.00 C ATOM 1721 OD1 ASN A 106 -10.898 1.162 -9.965 1.00 0.00 O ATOM 1722 ND2 ASN A 106 -12.098 -0.662 -9.448 1.00 0.00 N ATOM 0 H ASN A 106 -8.057 -2.901 -8.318 1.00 0.00 H new ATOM 0 HA ASN A 106 -10.086 -1.994 -8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.872 -0.399 -9.977 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.807 -1.218 -11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -12.926 -0.108 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -12.126 -1.678 -9.362 1.00 0.00 H new ATOM 1729 N LEU A 107 -10.842 -4.414 -9.242 1.00 0.00 N ATOM 1730 CA LEU A 107 -11.757 -5.466 -9.671 1.00 0.00 C ATOM 1731 C LEU A 107 -12.658 -5.902 -8.521 1.00 0.00 C ATOM 1732 O LEU A 107 -13.885 -5.883 -8.638 1.00 0.00 O ATOM 1733 CB LEU A 107 -10.973 -6.667 -10.205 1.00 0.00 C ATOM 1734 CG LEU A 107 -11.830 -7.834 -10.704 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.734 -7.384 -11.844 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -10.947 -8.990 -11.147 1.00 0.00 C ATOM 0 H LEU A 107 -10.284 -4.650 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.383 -5.067 -10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.335 -6.330 -11.022 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.315 -7.031 -9.416 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.459 -8.176 -9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -13.335 -8.226 -12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.391 -6.587 -11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -12.124 -7.016 -12.669 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.572 -9.811 -11.499 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.293 -8.660 -11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.342 -9.329 -10.306 1.00 0.00 H new ATOM 1748 N VAL A 108 -12.043 -6.291 -7.408 1.00 0.00 N ATOM 1749 CA VAL A 108 -12.790 -6.714 -6.230 1.00 0.00 C ATOM 1750 C VAL A 108 -12.719 -5.658 -5.130 1.00 0.00 C ATOM 1751 O VAL A 108 -11.923 -5.768 -4.197 1.00 0.00 O ATOM 1752 CB VAL A 108 -12.263 -8.053 -5.679 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -13.151 -8.556 -4.550 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -12.164 -9.088 -6.792 1.00 0.00 C ATOM 0 H VAL A 108 -11.029 -6.322 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.827 -6.844 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 108 -11.263 -7.889 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -12.762 -9.502 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.164 -7.823 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.165 -8.703 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -11.790 -10.027 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -13.150 -9.249 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -11.481 -8.730 -7.562 1.00 0.00 H new ATOM 1764 N VAL A 109 -13.554 -4.633 -5.250 1.00 0.00 N ATOM 1765 CA VAL A 109 -13.580 -3.545 -4.278 1.00 0.00 C ATOM 1766 C VAL A 109 -15.013 -3.118 -3.976 1.00 0.00 C ATOM 1767 O VAL A 109 -15.957 -3.583 -4.615 1.00 0.00 O ATOM 1768 CB VAL A 109 -12.787 -2.323 -4.779 1.00 0.00 C ATOM 1769 CG1 VAL A 109 -11.314 -2.671 -4.937 1.00 0.00 C ATOM 1770 CG2 VAL A 109 -13.365 -1.811 -6.090 1.00 0.00 C ATOM 0 H VAL A 109 -14.224 -4.532 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.113 -3.921 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.872 -1.529 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -10.769 -1.796 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.909 -2.985 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.207 -3.482 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.792 -0.948 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.313 -2.598 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.405 -1.520 -5.940 1.00 0.00 H new ATOM 1780 N VAL A 110 -15.166 -2.227 -3.001 1.00 0.00 N ATOM 1781 CA VAL A 110 -16.483 -1.727 -2.625 1.00 0.00 C ATOM 1782 C VAL A 110 -16.743 -0.354 -3.240 1.00 0.00 C ATOM 1783 O VAL A 110 -15.834 0.469 -3.351 1.00 0.00 O ATOM 1784 CB VAL A 110 -16.634 -1.634 -1.096 1.00 0.00 C ATOM 1785 CG1 VAL A 110 -15.609 -0.677 -0.520 1.00 0.00 C ATOM 1786 CG2 VAL A 110 -18.046 -1.212 -0.718 1.00 0.00 C ATOM 0 H VAL A 110 -14.395 -1.837 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 110 -17.215 -2.438 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 110 -16.455 -2.622 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -15.729 -0.623 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -14.606 -1.033 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -15.753 0.314 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -18.130 -1.153 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -18.263 -0.236 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -18.759 -1.944 -1.098 1.00 0.00 H new ATOM 1796 N ASN A 111 -17.987 -0.119 -3.651 1.00 0.00 N ATOM 1797 CA ASN A 111 -18.347 1.126 -4.316 1.00 0.00 C ATOM 1798 C ASN A 111 -19.370 1.912 -3.501 1.00 0.00 C ATOM 1799 O ASN A 111 -19.362 3.143 -3.497 1.00 0.00 O ATOM 1800 CB ASN A 111 -18.905 0.841 -5.712 1.00 0.00 C ATOM 1801 CG ASN A 111 -17.914 0.102 -6.591 1.00 0.00 C ATOM 1802 OD1 ASN A 111 -17.116 0.715 -7.299 1.00 0.00 O ATOM 1803 ND2 ASN A 111 -17.963 -1.225 -6.550 1.00 0.00 N ATOM 0 H ASN A 111 -18.760 -0.774 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 111 -17.443 1.729 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -19.817 0.251 -5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -19.179 1.782 -6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -17.322 -1.777 -7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -18.641 -1.692 -5.948 1.00 0.00 H new ATOM 1810 N GLN A 112 -20.252 1.188 -2.814 1.00 0.00 N ATOM 1811 CA GLN A 112 -21.301 1.811 -2.010 1.00 0.00 C ATOM 1812 C GLN A 112 -22.169 2.732 -2.862 1.00 0.00 C ATOM 1813 O GLN A 112 -22.847 3.619 -2.340 1.00 0.00 O ATOM 1814 CB GLN A 112 -20.687 2.596 -0.849 1.00 0.00 C ATOM 1815 CG GLN A 112 -19.997 1.719 0.183 1.00 0.00 C ATOM 1816 CD GLN A 112 -20.956 0.773 0.879 1.00 0.00 C ATOM 1817 OE1 GLN A 112 -22.140 1.074 1.034 1.00 0.00 O ATOM 1818 NE2 GLN A 112 -20.449 -0.378 1.305 1.00 0.00 N ATOM 0 H GLN A 112 -20.261 0.168 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 112 -21.933 1.019 -1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -19.966 3.311 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -21.470 3.173 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -19.211 1.141 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -19.513 2.352 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -19.462 -0.587 1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -21.047 -1.053 1.782 1.00 0.00 H new ATOM 1827 N GLN A 113 -22.145 2.518 -4.173 1.00 0.00 N ATOM 1828 CA GLN A 113 -22.913 3.342 -5.099 1.00 0.00 C ATOM 1829 C GLN A 113 -23.320 2.542 -6.334 1.00 0.00 C ATOM 1830 O GLN A 113 -22.600 1.641 -6.765 1.00 0.00 O ATOM 1831 CB GLN A 113 -22.098 4.568 -5.519 1.00 0.00 C ATOM 1832 CG GLN A 113 -20.779 4.220 -6.187 1.00 0.00 C ATOM 1833 CD GLN A 113 -19.993 5.449 -6.603 1.00 0.00 C ATOM 1834 OE1 GLN A 113 -20.144 5.947 -7.719 1.00 0.00 O ATOM 1835 NE2 GLN A 113 -19.150 5.945 -5.705 1.00 0.00 N ATOM 0 H GLN A 113 -21.601 1.779 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 113 -23.817 3.671 -4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.693 5.173 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -21.900 5.181 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -20.176 3.622 -5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -20.972 3.603 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -19.057 5.500 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -18.595 6.771 -5.928 1.00 0.00 H new ATOM 1844 N GLU A 114 -24.477 2.879 -6.895 1.00 0.00 N ATOM 1845 CA GLU A 114 -24.979 2.197 -8.082 1.00 0.00 C ATOM 1846 C GLU A 114 -24.033 2.391 -9.263 1.00 0.00 C ATOM 1847 O GLU A 114 -23.991 3.464 -9.866 1.00 0.00 O ATOM 1848 CB GLU A 114 -26.373 2.713 -8.442 1.00 0.00 C ATOM 1849 CG GLU A 114 -27.401 2.500 -7.342 1.00 0.00 C ATOM 1850 CD GLU A 114 -28.775 3.018 -7.721 1.00 0.00 C ATOM 1851 OE1 GLU A 114 -29.061 4.203 -7.442 1.00 0.00 O ATOM 1852 OE2 GLU A 114 -29.566 2.240 -8.294 1.00 0.00 O ATOM 0 H GLU A 114 -25.084 3.620 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 114 -25.039 1.132 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -26.310 3.777 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -26.714 2.213 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -27.468 1.436 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -27.065 3.001 -6.434 1.00 0.00 H new ATOM 1859 N SER A 115 -23.272 1.347 -9.583 1.00 0.00 N ATOM 1860 CA SER A 115 -22.311 1.407 -10.678 1.00 0.00 C ATOM 1861 C SER A 115 -23.014 1.682 -12.005 1.00 0.00 C ATOM 1862 O SER A 115 -23.688 0.810 -12.555 1.00 0.00 O ATOM 1863 CB SER A 115 -21.526 0.097 -10.765 1.00 0.00 C ATOM 1864 OG SER A 115 -20.583 0.137 -11.823 1.00 0.00 O ATOM 0 H SER A 115 -23.303 0.450 -9.099 1.00 0.00 H new ATOM 0 HA SER A 115 -21.619 2.225 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 115 -21.011 -0.086 -9.822 1.00 0.00 H new ATOM 0 HB3 SER A 115 -22.215 -0.734 -10.919 1.00 0.00 H new ATOM 0 HG SER A 115 -20.093 -0.711 -11.857 1.00 0.00 H new ATOM 1870 N SER A 116 -22.846 2.899 -12.514 1.00 0.00 N ATOM 1871 CA SER A 116 -23.450 3.286 -13.784 1.00 0.00 C ATOM 1872 C SER A 116 -22.429 3.982 -14.679 1.00 0.00 C ATOM 1873 O SER A 116 -22.792 4.657 -15.644 1.00 0.00 O ATOM 1874 CB SER A 116 -24.647 4.208 -13.545 1.00 0.00 C ATOM 1875 OG SER A 116 -25.639 3.562 -12.767 1.00 0.00 O ATOM 0 H SER A 116 -22.297 3.633 -12.067 1.00 0.00 H new ATOM 0 HA SER A 116 -23.793 2.381 -14.286 1.00 0.00 H new ATOM 0 HB2 SER A 116 -24.316 5.115 -13.039 1.00 0.00 H new ATOM 0 HB3 SER A 116 -25.072 4.513 -14.501 1.00 0.00 H new ATOM 0 HG SER A 116 -25.312 3.446 -11.851 1.00 0.00 H new ATOM 1881 N ASP A 117 -21.152 3.815 -14.351 1.00 0.00 N ATOM 1882 CA ASP A 117 -20.077 4.429 -15.122 1.00 0.00 C ATOM 1883 C ASP A 117 -19.075 3.379 -15.590 1.00 0.00 C ATOM 1884 O ASP A 117 -19.213 2.196 -15.278 1.00 0.00 O ATOM 1885 CB ASP A 117 -19.365 5.492 -14.284 1.00 0.00 C ATOM 1886 CG ASP A 117 -18.748 4.919 -13.024 1.00 0.00 C ATOM 1887 OD1 ASP A 117 -17.573 4.499 -13.077 1.00 0.00 O ATOM 1888 OD2 ASP A 117 -19.439 4.891 -11.984 1.00 0.00 O ATOM 0 H ASP A 117 -20.836 3.259 -13.556 1.00 0.00 H new ATOM 0 HA ASP A 117 -20.517 4.902 -16.000 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -18.587 5.962 -14.885 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -20.075 6.273 -14.014 1.00 0.00 H new ATOM 1893 N SER A 118 -18.067 3.823 -16.340 1.00 0.00 N ATOM 1894 CA SER A 118 -17.026 2.933 -16.851 1.00 0.00 C ATOM 1895 C SER A 118 -17.631 1.717 -17.550 1.00 0.00 C ATOM 1896 O SER A 118 -18.822 1.696 -17.861 1.00 0.00 O ATOM 1897 CB SER A 118 -16.102 2.480 -15.714 1.00 0.00 C ATOM 1898 OG SER A 118 -16.795 1.674 -14.778 1.00 0.00 O ATOM 0 H SER A 118 -17.949 4.800 -16.608 1.00 0.00 H new ATOM 0 HA SER A 118 -16.442 3.491 -17.583 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.262 1.922 -16.126 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.688 3.353 -15.209 1.00 0.00 H new ATOM 0 HG SER A 118 -17.720 1.548 -15.076 1.00 0.00 H new ATOM 1904 N SER A 119 -16.799 0.710 -17.800 1.00 0.00 N ATOM 1905 CA SER A 119 -17.251 -0.507 -18.466 1.00 0.00 C ATOM 1906 C SER A 119 -17.754 -1.529 -17.450 1.00 0.00 C ATOM 1907 O SER A 119 -18.969 -1.526 -17.162 1.00 0.00 O ATOM 1908 CB SER A 119 -16.115 -1.111 -19.295 1.00 0.00 C ATOM 1909 OG SER A 119 -16.536 -2.294 -19.950 1.00 0.00 O ATOM 1910 OXT SER A 119 -16.928 -2.324 -16.951 1.00 0.00 O ATOM 0 H SER A 119 -15.810 0.713 -17.552 1.00 0.00 H new ATOM 0 HA SER A 119 -18.076 -0.244 -19.129 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.773 -0.385 -20.033 1.00 0.00 H new ATOM 0 HB3 SER A 119 -15.266 -1.332 -18.648 1.00 0.00 H new ATOM 0 HG SER A 119 -15.793 -2.660 -20.474 1.00 0.00 H new TER 1916 SER A 119