USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 708 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= 1.06 K(o=2.3,f=-4.7) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -102:sc= 1.33 (180deg=0.939) USER MOD Set 1.3: A 67 ASN : amide:sc= -0.0489 K(o=2.3,f=0.74) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0861) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.994 (180deg=-0.174) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -92:sc= 0.919 USER MOD Single : A 11 ASN : amide:sc= -0.0212 K(o=-0.021,f=-9.3!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 15 MET CE :methyl -128:sc= -0.2 (180deg=-1.52) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00878 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 160:sc= -0.424 (180deg=-0.655) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 65:sc= 1.98 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.05! C(o=-1!,f=-5.2!) USER MOD Single : A 43 ASN : amide:sc= 0.758 K(o=0.76,f=-4.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -0:sc= 0.801 USER MOD Single : A 56 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-5.1!) USER MOD Single : A 58 MET CE :methyl -166:sc= -0.0275 (180deg=-0.28) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0092 X(o=-0.0092,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0.591 K(o=0.59,f=-7!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc=-0.00673 X(o=-0.0067,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.887 K(o=0.89,f=-3.5!) USER MOD Single : A 90 HIS : no HD1:sc= 1 K(o=1,f=-5!) USER MOD Single : A 91 HIS : no HE2:sc= -0.0175 X(o=-0.018,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.932 1.164 2.213 1.00 50.00 N ATOM 2 CA MET A 1 -10.673 1.299 2.937 1.00 50.00 C ATOM 3 C MET A 1 -10.202 2.746 2.959 1.00 50.00 C ATOM 4 O MET A 1 -9.628 3.238 1.987 1.00 50.00 O ATOM 5 CB MET A 1 -9.606 0.405 2.310 1.00 50.00 C ATOM 6 CG MET A 1 -9.903 -1.085 2.395 1.00 50.00 C ATOM 7 SD MET A 1 -8.576 -2.099 1.714 1.00 75.00 S ATOM 8 CE MET A 1 -8.805 -1.822 -0.039 1.00 75.00 C ATOM 0 H1 MET A 1 -12.635 0.700 2.823 1.00 50.00 H new ATOM 0 H2 MET A 1 -12.278 2.106 1.940 1.00 50.00 H new ATOM 0 H3 MET A 1 -11.782 0.589 1.359 1.00 50.00 H new ATOM 0 HA MET A 1 -10.841 0.984 3.967 1.00 50.00 H new ATOM 0 HB2 MET A 1 -9.489 0.680 1.262 1.00 50.00 H new ATOM 0 HB3 MET A 1 -8.652 0.601 2.799 1.00 50.00 H new ATOM 0 HG2 MET A 1 -10.067 -1.360 3.437 1.00 50.00 H new ATOM 0 HG3 MET A 1 -10.829 -1.298 1.860 1.00 50.00 H new ATOM 0 HE1 MET A 1 -8.166 -2.503 -0.601 1.00 75.00 H new ATOM 0 HE2 MET A 1 -9.847 -2.001 -0.303 1.00 75.00 H new ATOM 0 HE3 MET A 1 -8.541 -0.793 -0.282 1.00 75.00 H new ATOM 20 N LYS A 2 -10.447 3.428 4.073 1.00 50.00 N ATOM 21 CA LYS A 2 -9.928 4.774 4.278 1.00 50.00 C ATOM 22 C LYS A 2 -8.844 4.789 5.349 1.00 50.00 C ATOM 23 O LYS A 2 -8.805 3.918 6.218 1.00 50.00 O ATOM 24 CB LYS A 2 -11.058 5.731 4.661 1.00 50.00 C ATOM 25 CG LYS A 2 -12.083 5.967 3.559 1.00 50.00 C ATOM 26 CD LYS A 2 -13.194 6.896 4.026 1.00 50.00 C ATOM 27 CE LYS A 2 -14.206 6.160 4.891 1.00 75.00 C ATOM 28 NZ LYS A 2 -15.315 7.048 5.330 1.00 75.00 N ATOM 0 H LYS A 2 -11.003 3.069 4.849 1.00 50.00 H new ATOM 0 HA LYS A 2 -9.485 5.107 3.339 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -11.570 5.336 5.539 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -10.625 6.689 4.949 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -11.590 6.396 2.687 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -12.510 5.014 3.247 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -12.765 7.724 4.590 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.698 7.327 3.161 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -14.615 5.318 4.333 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -13.703 5.748 5.766 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -15.982 6.507 5.917 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.928 7.838 5.885 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -15.812 7.421 4.496 1.00 75.00 H new ATOM 42 N ILE A 3 -7.966 5.783 5.280 1.00 50.00 N ATOM 43 CA ILE A 3 -6.774 5.812 6.118 1.00 50.00 C ATOM 44 C ILE A 3 -7.044 6.527 7.436 1.00 50.00 C ATOM 45 O ILE A 3 -7.702 7.567 7.465 1.00 50.00 O ATOM 46 CB ILE A 3 -5.596 6.499 5.403 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.180 5.696 4.169 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.421 6.666 6.355 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.195 6.418 3.276 1.00 50.00 C ATOM 0 H ILE A 3 -8.058 6.581 4.651 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.507 4.775 6.320 1.00 50.00 H new ATOM 0 HB ILE A 3 -5.917 7.489 5.077 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.740 4.753 4.492 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.070 5.451 3.589 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.597 7.153 5.834 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.725 7.277 7.205 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.098 5.687 6.710 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -3.947 5.787 2.423 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.639 7.349 2.922 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.288 6.640 3.839 1.00 50.00 H new ATOM 61 N ILE A 4 -6.532 5.966 8.525 1.00 10.00 N ATOM 62 CA ILE A 4 -6.471 6.675 9.798 1.00 10.00 C ATOM 63 C ILE A 4 -5.108 7.325 10.002 1.00 10.00 C ATOM 64 O ILE A 4 -5.017 8.523 10.270 1.00 50.00 O ATOM 65 CB ILE A 4 -6.764 5.736 10.983 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.191 5.192 10.893 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.549 6.462 12.302 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.499 4.114 11.908 1.00 50.00 C ATOM 0 H ILE A 4 -6.152 5.020 8.552 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.237 7.449 9.763 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.073 4.895 10.938 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.893 6.015 11.027 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.355 4.793 9.892 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.760 5.784 13.129 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.515 6.801 12.366 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.217 7.321 12.357 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.528 3.779 11.782 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.822 3.272 11.761 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.368 4.513 12.914 1.00 50.00 H new ATOM 80 N SER A 5 -4.054 6.529 9.872 1.00 10.00 N ATOM 81 CA SER A 5 -2.692 7.054 9.883 1.00 10.00 C ATOM 82 C SER A 5 -1.730 6.101 9.185 1.00 10.00 C ATOM 83 O SER A 5 -1.978 4.898 9.109 1.00 50.00 O ATOM 84 CB SER A 5 -2.244 7.308 11.308 1.00 50.00 C ATOM 85 OG SER A 5 -2.108 6.119 12.038 1.00 50.00 O ATOM 0 H SER A 5 -4.115 5.517 9.758 1.00 10.00 H new ATOM 0 HA SER A 5 -2.685 7.997 9.336 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.292 7.838 11.299 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.966 7.957 11.804 1.00 50.00 H new ATOM 0 HG SER A 5 -1.816 6.327 12.950 1.00 50.00 H new ATOM 91 N ILE A 6 -0.630 6.647 8.677 1.00 10.00 N ATOM 92 CA ILE A 6 0.422 5.836 8.079 1.00 10.00 C ATOM 93 C ILE A 6 1.692 5.874 8.918 1.00 10.00 C ATOM 94 O ILE A 6 2.270 6.939 9.139 1.00 50.00 O ATOM 95 CB ILE A 6 0.749 6.298 6.647 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.491 6.193 5.756 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.893 5.479 6.071 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.296 6.761 4.368 1.00 50.00 C ATOM 0 H ILE A 6 -0.445 7.650 8.668 1.00 10.00 H new ATOM 0 HA ILE A 6 0.046 4.814 8.042 1.00 10.00 H new ATOM 0 HB ILE A 6 1.060 7.342 6.683 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.779 5.145 5.672 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.318 6.713 6.238 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.110 5.819 5.059 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.779 5.603 6.694 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.611 4.426 6.047 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.218 6.650 3.797 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.039 7.818 4.440 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.509 6.225 3.865 1.00 50.00 H new ATOM 110 N SER A 7 2.125 4.707 9.383 1.00 10.00 N ATOM 111 CA SER A 7 3.261 4.617 10.291 1.00 10.00 C ATOM 112 C SER A 7 4.486 4.051 9.584 1.00 10.00 C ATOM 113 O SER A 7 4.366 3.358 8.573 1.00 50.00 O ATOM 114 CB SER A 7 2.905 3.767 11.494 1.00 50.00 C ATOM 115 OG SER A 7 1.875 4.337 12.255 1.00 50.00 O ATOM 0 H SER A 7 1.705 3.809 9.145 1.00 10.00 H new ATOM 0 HA SER A 7 3.504 5.624 10.630 1.00 10.00 H new ATOM 0 HB2 SER A 7 2.602 2.775 11.160 1.00 50.00 H new ATOM 0 HB3 SER A 7 3.788 3.637 12.120 1.00 50.00 H new ATOM 0 HG SER A 7 1.674 3.758 13.020 1.00 50.00 H new ATOM 121 N GLU A 8 5.664 4.347 10.125 1.00 10.00 N ATOM 122 CA GLU A 8 6.908 3.800 9.594 1.00 50.00 C ATOM 123 C GLU A 8 7.223 2.445 10.214 1.00 10.00 C ATOM 124 O GLU A 8 6.606 2.045 11.200 1.00 50.00 O ATOM 125 CB GLU A 8 8.065 4.771 9.838 1.00 50.00 C ATOM 126 CG GLU A 8 7.931 6.104 9.114 1.00 50.00 C ATOM 127 CD GLU A 8 9.083 7.016 9.433 1.00 50.00 C ATOM 128 OE1 GLU A 8 9.881 6.665 10.269 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.229 8.013 8.764 1.00 50.00 O ATOM 0 H GLU A 8 5.783 4.962 10.930 1.00 10.00 H new ATOM 0 HA GLU A 8 6.781 3.662 8.520 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.146 4.959 10.909 1.00 50.00 H new ATOM 0 HB3 GLU A 8 8.995 4.295 9.527 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.886 5.933 8.038 1.00 50.00 H new ATOM 0 HG3 GLU A 8 6.995 6.583 9.400 1.00 50.00 H new ATOM 136 N THR A 9 8.187 1.743 9.628 1.00 50.00 N ATOM 137 CA THR A 9 8.572 0.421 10.109 1.00 10.00 C ATOM 138 C THR A 9 10.087 0.286 10.193 1.00 10.00 C ATOM 139 O THR A 9 10.824 1.127 9.678 1.00 50.00 O ATOM 140 CB THR A 9 8.016 -0.693 9.205 1.00 50.00 C ATOM 141 OG1 THR A 9 8.774 -0.748 7.990 1.00 50.00 O ATOM 142 CG2 THR A 9 6.555 -0.435 8.877 1.00 50.00 C ATOM 0 H THR A 9 8.716 2.068 8.819 1.00 50.00 H new ATOM 0 HA THR A 9 8.145 0.313 11.106 1.00 10.00 H new ATOM 0 HB THR A 9 8.095 -1.643 9.734 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.350 -0.179 7.314 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.179 -1.233 8.237 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.975 -0.406 9.799 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.461 0.520 8.359 1.00 50.00 H new ATOM 150 N PRO A 10 10.546 -0.776 10.844 1.00 50.00 N ATOM 151 CA PRO A 10 11.976 -1.032 10.982 1.00 50.00 C ATOM 152 C PRO A 10 12.666 -1.040 9.624 1.00 50.00 C ATOM 153 O PRO A 10 13.845 -0.707 9.516 1.00 50.00 O ATOM 154 CB PRO A 10 12.046 -2.398 11.673 1.00 50.00 C ATOM 155 CG PRO A 10 10.770 -2.493 12.438 1.00 50.00 C ATOM 156 CD PRO A 10 9.740 -1.805 11.584 1.00 50.00 C ATOM 0 HA PRO A 10 12.491 -0.260 11.554 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.135 -3.206 10.947 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.911 -2.465 12.333 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.498 -3.533 12.621 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.859 -2.011 13.412 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.251 -2.501 10.902 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.957 -1.346 12.187 1.00 50.00 H new ATOM 164 N ASN A 11 11.924 -1.422 8.591 1.00 50.00 N ATOM 165 CA ASN A 11 12.409 -1.319 7.220 1.00 50.00 C ATOM 166 C ASN A 11 11.874 -0.066 6.540 1.00 50.00 C ATOM 167 O ASN A 11 10.682 0.030 6.243 1.00 50.00 O ATOM 168 CB ASN A 11 12.048 -2.550 6.409 1.00 50.00 C ATOM 169 CG ASN A 11 12.620 -2.549 5.018 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.067 -1.513 4.511 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.531 -3.680 4.369 1.00 50.00 N ATOM 0 H ASN A 11 10.983 -1.806 8.677 1.00 50.00 H new ATOM 0 HA ASN A 11 13.496 -1.250 7.268 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.400 -3.437 6.936 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.963 -2.627 6.346 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.838 -3.736 3.398 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.155 -4.506 4.834 1.00 50.00 H new ATOM 178 N HIS A 12 12.760 0.893 6.295 1.00 50.00 N ATOM 179 CA HIS A 12 12.366 2.170 5.714 1.00 50.00 C ATOM 180 C HIS A 12 11.540 1.969 4.449 1.00 50.00 C ATOM 181 O HIS A 12 10.611 2.727 4.176 1.00 50.00 O ATOM 182 CB HIS A 12 13.598 3.026 5.402 1.00 50.00 C ATOM 183 CG HIS A 12 13.273 4.338 4.759 1.00 50.00 C ATOM 184 ND1 HIS A 12 12.731 5.395 5.459 1.00 75.00 N ATOM 185 CD2 HIS A 12 13.412 4.763 3.482 1.00 50.00 C ATOM 186 CE1 HIS A 12 12.550 6.415 4.638 1.00 75.00 C ATOM 187 NE2 HIS A 12 12.957 6.058 3.434 1.00 75.00 N ATOM 0 H HIS A 12 13.758 0.809 6.490 1.00 50.00 H new ATOM 0 HA HIS A 12 11.750 2.690 6.448 1.00 50.00 H new ATOM 0 HB2 HIS A 12 14.145 3.210 6.327 1.00 50.00 H new ATOM 0 HB3 HIS A 12 14.263 2.465 4.745 1.00 50.00 H new ATOM 0 HD2 HIS A 12 13.807 4.191 2.655 1.00 50.00 H new ATOM 0 HE1 HIS A 12 12.139 7.377 4.907 1.00 75.00 H new ATOM 0 HE2 HIS A 12 12.937 6.648 2.603 1.00 75.00 H new ATOM 195 N ASN A 13 11.886 0.942 3.680 1.00 10.00 N ATOM 196 CA ASN A 13 11.330 0.763 2.344 1.00 10.00 C ATOM 197 C ASN A 13 9.931 0.162 2.406 1.00 10.00 C ATOM 198 O ASN A 13 9.309 -0.095 1.375 1.00 50.00 O ATOM 199 CB ASN A 13 12.232 -0.095 1.478 1.00 50.00 C ATOM 200 CG ASN A 13 13.501 0.593 1.058 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.587 1.826 1.042 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.460 -0.195 0.641 1.00 50.00 N ATOM 0 H ASN A 13 12.550 0.220 3.960 1.00 10.00 H new ATOM 0 HA ASN A 13 11.261 1.751 1.889 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.486 -1.004 2.023 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.683 -0.400 0.587 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.328 0.203 0.282 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.339 -1.207 0.675 1.00 50.00 H new ATOM 209 N THR A 14 9.441 -0.059 3.620 1.00 10.00 N ATOM 210 CA THR A 14 8.079 -0.541 3.821 1.00 10.00 C ATOM 211 C THR A 14 7.317 0.349 4.793 1.00 10.00 C ATOM 212 O THR A 14 7.856 0.772 5.815 1.00 50.00 O ATOM 213 CB THR A 14 8.063 -1.987 4.347 1.00 50.00 C ATOM 214 OG1 THR A 14 8.721 -2.848 3.407 1.00 50.00 O ATOM 215 CG2 THR A 14 6.634 -2.465 4.552 1.00 50.00 C ATOM 0 H THR A 14 9.967 0.088 4.481 1.00 10.00 H new ATOM 0 HA THR A 14 7.590 -0.513 2.847 1.00 10.00 H new ATOM 0 HB THR A 14 8.585 -2.015 5.303 1.00 50.00 H new ATOM 0 HG1 THR A 14 8.712 -3.768 3.744 1.00 50.00 H new ATOM 0 HG21 THR A 14 6.643 -3.489 4.924 1.00 50.00 H new ATOM 0 HG22 THR A 14 6.135 -1.820 5.276 1.00 50.00 H new ATOM 0 HG23 THR A 14 6.098 -2.428 3.603 1.00 50.00 H new ATOM 223 N MET A 15 6.060 0.633 4.468 1.00 10.00 N ATOM 224 CA MET A 15 5.222 1.478 5.310 1.00 10.00 C ATOM 225 C MET A 15 3.976 0.732 5.771 1.00 10.00 C ATOM 226 O MET A 15 3.492 -0.169 5.088 1.00 50.00 O ATOM 227 CB MET A 15 4.831 2.748 4.560 1.00 50.00 C ATOM 228 CG MET A 15 6.005 3.635 4.167 1.00 50.00 C ATOM 229 SD MET A 15 6.815 4.387 5.592 1.00 50.00 S ATOM 230 CE MET A 15 5.544 5.522 6.144 1.00 50.00 C ATOM 0 H MET A 15 5.599 0.289 3.626 1.00 10.00 H new ATOM 0 HA MET A 15 5.798 1.751 6.194 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.285 2.469 3.659 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.147 3.326 5.181 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.732 3.043 3.611 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.654 4.420 3.497 1.00 50.00 H new ATOM 0 HE1 MET A 15 5.968 6.520 6.249 1.00 50.00 H new ATOM 0 HE2 MET A 15 4.736 5.546 5.413 1.00 50.00 H new ATOM 0 HE3 MET A 15 5.153 5.191 7.106 1.00 50.00 H new ATOM 240 N LYS A 16 3.461 1.115 6.935 1.00 10.00 N ATOM 241 CA LYS A 16 2.259 0.498 7.480 1.00 10.00 C ATOM 242 C LYS A 16 1.071 1.448 7.405 1.00 10.00 C ATOM 243 O LYS A 16 1.151 2.594 7.850 1.00 50.00 O ATOM 244 CB LYS A 16 2.489 0.057 8.926 1.00 50.00 C ATOM 245 CG LYS A 16 1.277 -0.576 9.593 1.00 50.00 C ATOM 246 CD LYS A 16 1.533 -0.844 11.068 1.00 50.00 C ATOM 247 CE LYS A 16 0.300 -1.420 11.749 1.00 50.00 C ATOM 248 NZ LYS A 16 0.534 -1.683 13.195 1.00 50.00 N ATOM 0 H LYS A 16 3.859 1.851 7.519 1.00 10.00 H new ATOM 0 HA LYS A 16 2.033 -0.380 6.875 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.314 -0.655 8.948 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.799 0.922 9.511 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.415 0.083 9.485 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.029 -1.510 9.089 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.367 -1.538 11.174 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.824 0.083 11.563 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.533 -0.727 11.637 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.012 -2.347 11.254 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.330 -2.075 13.621 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.312 -2.364 13.302 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.784 -0.794 13.674 1.00 50.00 H new ATOM 262 N ILE A 17 -0.032 0.966 6.842 1.00 10.00 N ATOM 263 CA ILE A 17 -1.217 1.792 6.648 1.00 10.00 C ATOM 264 C ILE A 17 -2.386 1.284 7.482 1.00 10.00 C ATOM 265 O ILE A 17 -2.847 0.158 7.299 1.00 50.00 O ATOM 266 CB ILE A 17 -1.637 1.838 5.166 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.493 2.374 4.304 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.884 2.693 4.994 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.738 2.246 2.817 1.00 50.00 C ATOM 0 H ILE A 17 -0.129 0.006 6.512 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.955 2.799 6.973 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.868 0.824 4.839 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.329 3.424 4.547 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.423 1.841 4.559 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.168 2.715 3.942 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.699 2.270 5.581 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.680 3.707 5.336 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.116 2.647 2.272 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.872 1.195 2.559 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.635 2.803 2.547 1.00 50.00 H new ATOM 281 N THR A 18 -2.862 2.122 8.398 1.00 10.00 N ATOM 282 CA THR A 18 -4.002 1.772 9.237 1.00 10.00 C ATOM 283 C THR A 18 -5.315 2.164 8.573 1.00 10.00 C ATOM 284 O THR A 18 -5.491 3.305 8.150 1.00 50.00 O ATOM 285 CB THR A 18 -3.914 2.449 10.618 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.729 2.008 11.295 1.00 50.00 O ATOM 287 CG2 THR A 18 -5.133 2.104 11.458 1.00 50.00 C ATOM 0 H THR A 18 -2.475 3.049 8.578 1.00 10.00 H new ATOM 0 HA THR A 18 -3.975 0.690 9.370 1.00 10.00 H new ATOM 0 HB THR A 18 -3.878 3.529 10.476 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.673 2.441 12.173 1.00 50.00 H new ATOM 0 HG21 THR A 18 -5.054 2.590 12.430 1.00 50.00 H new ATOM 0 HG22 THR A 18 -6.034 2.450 10.951 1.00 50.00 H new ATOM 0 HG23 THR A 18 -5.186 1.024 11.596 1.00 50.00 H new ATOM 295 N LEU A 19 -6.234 1.208 8.485 1.00 10.00 N ATOM 296 CA LEU A 19 -7.510 1.432 7.815 1.00 50.00 C ATOM 297 C LEU A 19 -8.634 1.632 8.823 1.00 10.00 C ATOM 298 O LEU A 19 -8.599 1.080 9.923 1.00 50.00 O ATOM 299 CB LEU A 19 -7.831 0.259 6.881 1.00 50.00 C ATOM 300 CG LEU A 19 -6.769 -0.037 5.814 1.00 50.00 C ATOM 301 CD1 LEU A 19 -7.164 -1.268 5.012 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.611 1.172 4.905 1.00 50.00 C ATOM 0 H LEU A 19 -6.119 0.270 8.869 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.426 2.343 7.222 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.975 -0.637 7.485 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.778 0.462 6.381 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.813 -0.238 6.298 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.404 -1.470 4.257 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -7.249 -2.125 5.680 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -8.122 -1.092 4.524 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.856 0.961 4.147 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.562 1.389 4.419 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.301 2.034 5.496 1.00 50.00 H new ATOM 314 N SER A 20 -9.632 2.422 8.441 1.00 10.00 N ATOM 315 CA SER A 20 -10.779 2.679 9.303 1.00 10.00 C ATOM 316 C SER A 20 -11.950 1.772 8.947 1.00 50.00 C ATOM 317 O SER A 20 -12.730 1.380 9.815 1.00 50.00 O ATOM 318 CB SER A 20 -11.190 4.135 9.204 1.00 50.00 C ATOM 319 OG SER A 20 -11.637 4.469 7.919 1.00 50.00 O ATOM 0 H SER A 20 -9.669 2.896 7.539 1.00 10.00 H new ATOM 0 HA SER A 20 -10.487 2.461 10.330 1.00 10.00 H new ATOM 0 HB2 SER A 20 -11.980 4.338 9.927 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.344 4.769 9.470 1.00 50.00 H new ATOM 0 HG SER A 20 -11.894 5.415 7.897 1.00 50.00 H new ATOM 325 N GLU A 21 -12.067 1.441 7.666 1.00 50.00 N ATOM 326 CA GLU A 21 -13.201 0.667 7.174 1.00 50.00 C ATOM 327 C GLU A 21 -12.962 -0.828 7.342 1.00 75.00 C ATOM 328 O GLU A 21 -11.834 -1.304 7.206 1.00 75.00 O ATOM 329 CB GLU A 21 -13.478 0.994 5.706 1.00 50.00 C ATOM 330 CG GLU A 21 -13.968 2.414 5.460 1.00 50.00 C ATOM 331 CD GLU A 21 -15.282 2.666 6.147 1.00 75.00 C ATOM 332 OE1 GLU A 21 -16.205 1.925 5.908 1.00 75.00 O ATOM 333 OE2 GLU A 21 -15.332 3.527 6.993 1.00 75.00 O ATOM 0 H GLU A 21 -11.389 1.697 6.948 1.00 50.00 H new ATOM 0 HA GLU A 21 -14.073 0.941 7.767 1.00 50.00 H new ATOM 0 HB2 GLU A 21 -12.565 0.833 5.132 1.00 50.00 H new ATOM 0 HB3 GLU A 21 -14.222 0.295 5.325 1.00 50.00 H new ATOM 0 HG2 GLU A 21 -13.225 3.125 5.821 1.00 50.00 H new ATOM 0 HG3 GLU A 21 -14.077 2.583 4.389 1.00 50.00 H new ATOM 340 N SER A 22 -14.028 -1.563 7.635 1.00 75.00 N ATOM 341 CA SER A 22 -13.947 -3.014 7.760 1.00 75.00 C ATOM 342 C SER A 22 -14.171 -3.696 6.417 1.00 75.00 C ATOM 343 O SER A 22 -15.299 -3.774 5.929 1.00 75.00 O ATOM 344 CB SER A 22 -14.958 -3.507 8.778 1.00 75.00 C ATOM 345 OG SER A 22 -14.961 -4.905 8.882 1.00 75.00 O ATOM 0 H SER A 22 -14.960 -1.178 7.791 1.00 75.00 H new ATOM 0 HA SER A 22 -12.944 -3.270 8.102 1.00 75.00 H new ATOM 0 HB2 SER A 22 -14.733 -3.072 9.752 1.00 75.00 H new ATOM 0 HB3 SER A 22 -15.953 -3.162 8.497 1.00 75.00 H new ATOM 0 HG SER A 22 -15.624 -5.182 9.548 1.00 75.00 H new ATOM 351 N ARG A 23 -13.090 -4.187 5.822 1.00 75.00 N ATOM 352 CA ARG A 23 -13.181 -4.977 4.599 1.00 75.00 C ATOM 353 C ARG A 23 -13.914 -6.289 4.843 1.00 75.00 C ATOM 354 O ARG A 23 -13.847 -6.854 5.935 1.00 75.00 O ATOM 355 CB ARG A 23 -11.818 -5.210 3.965 1.00 75.00 C ATOM 356 CG ARG A 23 -11.850 -5.950 2.635 1.00 75.00 C ATOM 357 CD ARG A 23 -10.514 -6.159 2.019 1.00 75.00 C ATOM 358 NE ARG A 23 -10.536 -6.908 0.773 1.00 75.00 N ATOM 359 CZ ARG A 23 -9.439 -7.324 0.112 1.00 75.00 C ATOM 360 NH1 ARG A 23 -8.234 -7.038 0.551 1.00 75.00 N ATOM 361 NH2 ARG A 23 -9.607 -8.010 -1.006 1.00 75.00 N ATOM 0 H ARG A 23 -12.140 -4.052 6.167 1.00 75.00 H new ATOM 0 HA ARG A 23 -13.766 -4.397 3.886 1.00 75.00 H new ATOM 0 HB2 ARG A 23 -11.333 -4.245 3.816 1.00 75.00 H new ATOM 0 HB3 ARG A 23 -11.200 -5.774 4.664 1.00 75.00 H new ATOM 0 HG2 ARG A 23 -12.324 -6.920 2.784 1.00 75.00 H new ATOM 0 HG3 ARG A 23 -12.476 -5.393 1.938 1.00 75.00 H new ATOM 0 HD2 ARG A 23 -10.056 -5.187 1.836 1.00 75.00 H new ATOM 0 HD3 ARG A 23 -9.877 -6.682 2.732 1.00 75.00 H new ATOM 0 HE ARG A 23 -11.446 -7.134 0.371 1.00 75.00 H new ATOM 0 HH11 ARG A 23 -8.119 -6.493 1.405 1.00 75.00 H new ATOM 0 HH12 ARG A 23 -7.414 -7.361 0.038 1.00 75.00 H new ATOM 0 HH21 ARG A 23 -10.548 -8.210 -1.345 1.00 75.00 H new ATOM 0 HH22 ARG A 23 -8.796 -8.339 -1.529 1.00 75.00 H new ATOM 375 N GLU A 24 -14.615 -6.768 3.821 1.00 75.00 N ATOM 376 CA GLU A 24 -15.354 -8.022 3.921 1.00 75.00 C ATOM 377 C GLU A 24 -14.546 -9.080 4.660 1.00 75.00 C ATOM 378 O GLU A 24 -15.065 -9.770 5.538 1.00 75.00 O ATOM 379 CB GLU A 24 -15.736 -8.529 2.528 1.00 75.00 C ATOM 380 CG GLU A 24 -16.574 -9.800 2.530 1.00 75.00 C ATOM 381 CD GLU A 24 -16.972 -10.195 1.136 1.00 75.00 C ATOM 382 OE1 GLU A 24 -16.592 -9.512 0.214 1.00 75.00 O ATOM 383 OE2 GLU A 24 -17.562 -11.238 0.979 1.00 75.00 O ATOM 0 H GLU A 24 -14.687 -6.307 2.914 1.00 75.00 H new ATOM 0 HA GLU A 24 -16.263 -7.830 4.490 1.00 75.00 H new ATOM 0 HB2 GLU A 24 -16.287 -7.746 2.008 1.00 75.00 H new ATOM 0 HB3 GLU A 24 -14.825 -8.710 1.958 1.00 75.00 H new ATOM 0 HG2 GLU A 24 -16.009 -10.610 2.992 1.00 75.00 H new ATOM 0 HG3 GLU A 24 -17.467 -9.648 3.136 1.00 75.00 H new ATOM 390 N GLY A 25 -13.273 -9.204 4.299 1.00 75.00 N ATOM 391 CA GLY A 25 -12.376 -10.138 4.968 1.00 75.00 C ATOM 392 C GLY A 25 -11.261 -9.403 5.700 1.00 50.00 C ATOM 393 O GLY A 25 -10.603 -8.532 5.133 1.00 75.00 O ATOM 0 H GLY A 25 -12.840 -8.669 3.546 1.00 75.00 H new ATOM 0 HA2 GLY A 25 -12.941 -10.745 5.676 1.00 75.00 H new ATOM 0 HA3 GLY A 25 -11.945 -10.821 4.235 1.00 75.00 H new ATOM 397 N MET A 26 -11.056 -9.757 6.964 1.00 50.00 N ATOM 398 CA MET A 26 -9.895 -9.289 7.712 1.00 50.00 C ATOM 399 C MET A 26 -8.736 -10.272 7.605 1.00 50.00 C ATOM 400 O MET A 26 -7.734 -10.145 8.307 1.00 50.00 O ATOM 401 CB MET A 26 -10.266 -9.066 9.177 1.00 50.00 C ATOM 402 CG MET A 26 -11.205 -7.894 9.417 1.00 50.00 C ATOM 403 SD MET A 26 -10.380 -6.297 9.262 1.00 50.00 S ATOM 404 CE MET A 26 -10.927 -5.790 7.635 1.00 50.00 C ATOM 0 H MET A 26 -11.680 -10.367 7.493 1.00 50.00 H new ATOM 0 HA MET A 26 -9.574 -8.342 7.278 1.00 50.00 H new ATOM 0 HB2 MET A 26 -10.731 -9.973 9.563 1.00 50.00 H new ATOM 0 HB3 MET A 26 -9.353 -8.907 9.750 1.00 50.00 H new ATOM 0 HG2 MET A 26 -12.029 -7.943 8.706 1.00 50.00 H new ATOM 0 HG3 MET A 26 -11.638 -7.979 10.414 1.00 50.00 H new ATOM 0 HE1 MET A 26 -10.811 -4.711 7.532 1.00 50.00 H new ATOM 0 HE2 MET A 26 -10.328 -6.293 6.876 1.00 50.00 H new ATOM 0 HE3 MET A 26 -11.976 -6.056 7.504 1.00 50.00 H new ATOM 414 N THR A 27 -8.880 -11.254 6.721 1.00 50.00 N ATOM 415 CA THR A 27 -7.867 -12.289 6.554 1.00 50.00 C ATOM 416 C THR A 27 -6.675 -11.769 5.760 1.00 50.00 C ATOM 417 O THR A 27 -6.752 -10.722 5.120 1.00 50.00 O ATOM 418 CB THR A 27 -8.439 -13.531 5.846 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.863 -13.177 4.523 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.623 -14.088 6.621 1.00 75.00 C ATOM 0 H THR A 27 -9.690 -11.354 6.109 1.00 50.00 H new ATOM 0 HA THR A 27 -7.539 -12.571 7.554 1.00 50.00 H new ATOM 0 HB THR A 27 -7.661 -14.292 5.794 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.225 -13.969 4.073 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.015 -14.965 6.106 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.302 -14.369 7.624 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.403 -13.329 6.689 1.00 75.00 H new ATOM 428 N SER A 28 -5.573 -12.509 5.807 1.00 10.00 N ATOM 429 CA SER A 28 -4.350 -12.107 5.120 1.00 10.00 C ATOM 430 C SER A 28 -4.464 -12.329 3.618 1.00 10.00 C ATOM 431 O SER A 28 -5.155 -13.242 3.167 1.00 50.00 O ATOM 432 CB SER A 28 -3.163 -12.868 5.680 1.00 50.00 C ATOM 433 OG SER A 28 -3.235 -14.238 5.396 1.00 50.00 O ATOM 0 H SER A 28 -5.501 -13.391 6.314 1.00 10.00 H new ATOM 0 HA SER A 28 -4.199 -11.041 5.289 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.242 -12.460 5.264 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.117 -12.724 6.759 1.00 50.00 H new ATOM 0 HG SER A 28 -2.452 -14.692 5.772 1.00 50.00 H new ATOM 439 N ASP A 29 -3.781 -11.490 2.848 1.00 10.00 N ATOM 440 CA ASP A 29 -3.709 -11.661 1.401 1.00 10.00 C ATOM 441 C ASP A 29 -2.510 -10.928 0.817 1.00 10.00 C ATOM 442 O ASP A 29 -2.011 -9.966 1.404 1.00 50.00 O ATOM 443 CB ASP A 29 -4.999 -11.170 0.738 1.00 50.00 C ATOM 444 CG ASP A 29 -5.265 -11.766 -0.636 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.459 -12.540 -1.093 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.340 -11.566 -1.149 1.00 50.00 O ATOM 0 H ASP A 29 -3.268 -10.683 3.202 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.589 -12.725 1.198 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.840 -11.403 1.391 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.957 -10.085 0.648 1.00 50.00 H new ATOM 451 N THR A 30 -2.048 -11.386 -0.341 1.00 10.00 N ATOM 452 CA THR A 30 -0.864 -10.818 -0.973 1.00 10.00 C ATOM 453 C THR A 30 -1.185 -10.285 -2.362 1.00 10.00 C ATOM 454 O THR A 30 -1.805 -10.971 -3.173 1.00 50.00 O ATOM 455 CB THR A 30 0.272 -11.852 -1.078 1.00 50.00 C ATOM 456 OG1 THR A 30 0.627 -12.312 0.230 1.00 50.00 O ATOM 457 CG2 THR A 30 1.493 -11.236 -1.745 1.00 50.00 C ATOM 0 H THR A 30 -2.477 -12.151 -0.862 1.00 10.00 H new ATOM 0 HA THR A 30 -0.533 -9.995 -0.340 1.00 10.00 H new ATOM 0 HB THR A 30 -0.075 -12.690 -1.682 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.349 -12.971 0.160 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.286 -11.981 -1.811 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.229 -10.898 -2.747 1.00 50.00 H new ATOM 0 HG23 THR A 30 1.840 -10.387 -1.156 1.00 50.00 H new ATOM 465 N TYR A 31 -0.756 -9.056 -2.633 1.00 10.00 N ATOM 466 CA TYR A 31 -1.059 -8.401 -3.900 1.00 10.00 C ATOM 467 C TYR A 31 0.208 -7.884 -4.570 1.00 10.00 C ATOM 468 O TYR A 31 0.835 -6.941 -4.088 1.00 50.00 O ATOM 469 CB TYR A 31 -2.045 -7.251 -3.685 1.00 50.00 C ATOM 470 CG TYR A 31 -3.345 -7.671 -3.034 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.262 -8.457 -3.715 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.649 -7.282 -1.739 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.450 -8.845 -3.127 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.834 -7.664 -1.139 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.732 -8.445 -1.836 1.00 50.00 C ATOM 476 OH TYR A 31 -6.914 -8.828 -1.244 1.00 50.00 O ATOM 0 H TYR A 31 -0.197 -8.494 -1.991 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.515 -9.141 -4.557 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.570 -6.489 -3.067 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -2.265 -6.789 -4.648 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -4.043 -8.772 -4.725 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.949 -6.670 -1.190 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -6.153 -9.457 -3.673 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -5.056 -7.352 -0.129 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.923 -9.801 -1.131 1.00 50.00 H new ATOM 486 N THR A 32 0.579 -8.507 -5.683 1.00 10.00 N ATOM 487 CA THR A 32 1.809 -8.158 -6.382 1.00 10.00 C ATOM 488 C THR A 32 1.524 -7.711 -7.810 1.00 10.00 C ATOM 489 O THR A 32 2.219 -6.853 -8.354 1.00 50.00 O ATOM 490 CB THR A 32 2.796 -9.340 -6.413 1.00 50.00 C ATOM 491 OG1 THR A 32 2.204 -10.442 -7.110 1.00 50.00 O ATOM 492 CG2 THR A 32 3.155 -9.772 -5.000 1.00 50.00 C ATOM 0 H THR A 32 0.044 -9.257 -6.121 1.00 10.00 H new ATOM 0 HA THR A 32 2.260 -7.334 -5.830 1.00 10.00 H new ATOM 0 HB THR A 32 3.704 -9.022 -6.926 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.834 -11.193 -7.130 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.853 -10.608 -5.041 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.618 -8.939 -4.471 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.252 -10.079 -4.473 1.00 50.00 H new ATOM 500 N LYS A 33 0.496 -8.297 -8.414 1.00 10.00 N ATOM 501 CA LYS A 33 0.146 -7.997 -9.797 1.00 50.00 C ATOM 502 C LYS A 33 -1.291 -7.505 -9.908 1.00 50.00 C ATOM 503 O LYS A 33 -2.187 -8.021 -9.240 1.00 50.00 O ATOM 504 CB LYS A 33 0.349 -9.229 -10.680 1.00 50.00 C ATOM 505 CG LYS A 33 1.800 -9.669 -10.824 1.00 50.00 C ATOM 506 CD LYS A 33 1.928 -10.863 -11.758 1.00 50.00 C ATOM 507 CE LYS A 33 3.373 -11.317 -11.883 1.00 75.00 C ATOM 508 NZ LYS A 33 3.514 -12.483 -12.799 1.00 75.00 N ATOM 0 H LYS A 33 -0.111 -8.984 -7.966 1.00 10.00 H new ATOM 0 HA LYS A 33 0.806 -7.201 -10.142 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.229 -10.056 -10.267 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.055 -9.021 -11.671 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.397 -8.841 -11.206 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.203 -9.927 -9.844 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.318 -11.686 -11.385 1.00 50.00 H new ATOM 0 HD3 LYS A 33 1.541 -10.600 -12.743 1.00 50.00 H new ATOM 0 HE2 LYS A 33 3.982 -10.491 -12.251 1.00 75.00 H new ATOM 0 HE3 LYS A 33 3.756 -11.582 -10.898 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 4.515 -12.761 -12.856 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 2.954 -13.280 -12.435 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.172 -12.224 -13.746 1.00 75.00 H new ATOM 522 N VAL A 34 -1.504 -6.503 -10.754 1.00 50.00 N ATOM 523 CA VAL A 34 -2.830 -5.927 -10.942 1.00 50.00 C ATOM 524 C VAL A 34 -3.823 -6.975 -11.433 1.00 50.00 C ATOM 525 O VAL A 34 -3.529 -7.738 -12.355 1.00 50.00 O ATOM 526 CB VAL A 34 -2.802 -4.756 -11.940 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.217 -4.295 -12.262 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.982 -3.601 -11.384 1.00 50.00 C ATOM 0 H VAL A 34 -0.774 -6.072 -11.321 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.150 -5.555 -9.969 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.333 -5.101 -12.861 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.178 -3.466 -12.969 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.778 -5.120 -12.701 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.710 -3.968 -11.347 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.973 -2.782 -12.103 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.424 -3.258 -10.449 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.960 -3.935 -11.202 1.00 50.00 H new ATOM 538 N ASP A 35 -4.995 -7.009 -10.812 1.00 50.00 N ATOM 539 CA ASP A 35 -6.004 -8.011 -11.136 1.00 50.00 C ATOM 540 C ASP A 35 -7.388 -7.566 -10.678 1.00 50.00 C ATOM 541 O ASP A 35 -7.519 -6.698 -9.814 1.00 50.00 O ATOM 542 CB ASP A 35 -5.649 -9.357 -10.499 1.00 50.00 C ATOM 543 CG ASP A 35 -6.306 -10.559 -11.163 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.020 -10.370 -12.119 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.969 -11.664 -10.810 1.00 50.00 O ATOM 0 H ASP A 35 -5.271 -6.354 -10.080 1.00 50.00 H new ATOM 0 HA ASP A 35 -6.022 -8.126 -12.220 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.567 -9.486 -10.530 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.937 -9.335 -9.448 1.00 50.00 H new ATOM 550 N ASP A 36 -8.420 -8.166 -11.262 1.00 50.00 N ATOM 551 CA ASP A 36 -9.796 -7.821 -10.928 1.00 50.00 C ATOM 552 C ASP A 36 -10.194 -8.395 -9.573 1.00 50.00 C ATOM 553 O ASP A 36 -11.122 -7.905 -8.929 1.00 50.00 O ATOM 554 CB ASP A 36 -10.754 -8.320 -12.012 1.00 50.00 C ATOM 555 CG ASP A 36 -10.698 -7.532 -13.313 1.00 50.00 C ATOM 556 OD1 ASP A 36 -10.124 -6.468 -13.316 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.088 -8.064 -14.324 1.00 50.00 O ATOM 0 H ASP A 36 -8.329 -8.895 -11.970 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.862 -6.734 -10.872 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.530 -9.365 -12.225 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.772 -8.285 -11.624 1.00 50.00 H new ATOM 562 N SER A 37 -9.487 -9.436 -9.147 1.00 50.00 N ATOM 563 CA SER A 37 -9.737 -10.052 -7.849 1.00 50.00 C ATOM 564 C SER A 37 -9.317 -9.130 -6.712 1.00 50.00 C ATOM 565 O SER A 37 -9.692 -9.341 -5.558 1.00 50.00 O ATOM 566 CB SER A 37 -9.007 -11.378 -7.752 1.00 50.00 C ATOM 567 OG SER A 37 -7.615 -11.214 -7.755 1.00 50.00 O ATOM 0 H SER A 37 -8.736 -9.871 -9.682 1.00 50.00 H new ATOM 0 HA SER A 37 -10.809 -10.229 -7.757 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.309 -11.892 -6.840 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.299 -12.014 -8.588 1.00 50.00 H new ATOM 0 HG SER A 37 -7.182 -12.091 -7.689 1.00 50.00 H new ATOM 573 N GLN A 38 -8.537 -8.107 -7.043 1.00 50.00 N ATOM 574 CA GLN A 38 -7.991 -7.202 -6.038 1.00 50.00 C ATOM 575 C GLN A 38 -8.804 -5.918 -5.953 1.00 50.00 C ATOM 576 O GLN A 38 -9.416 -5.493 -6.933 1.00 50.00 O ATOM 577 CB GLN A 38 -6.530 -6.870 -6.355 1.00 50.00 C ATOM 578 CG GLN A 38 -5.672 -8.079 -6.684 1.00 50.00 C ATOM 579 CD GLN A 38 -4.250 -7.698 -7.047 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.927 -6.517 -7.197 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.390 -8.700 -7.194 1.00 50.00 N ATOM 0 H GLN A 38 -8.268 -7.883 -8.001 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.043 -7.707 -5.073 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.501 -6.179 -7.197 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.094 -6.351 -5.501 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.657 -8.754 -5.828 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.122 -8.625 -7.513 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.701 -9.662 -7.060 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.419 -8.507 -7.441 1.00 50.00 H new ATOM 590 N PRO A 39 -8.807 -5.303 -4.775 1.00 50.00 N ATOM 591 CA PRO A 39 -9.421 -3.992 -4.598 1.00 50.00 C ATOM 592 C PRO A 39 -8.940 -3.010 -5.658 1.00 50.00 C ATOM 593 O PRO A 39 -7.758 -2.982 -6.002 1.00 50.00 O ATOM 594 CB PRO A 39 -8.999 -3.570 -3.187 1.00 50.00 C ATOM 595 CG PRO A 39 -8.745 -4.855 -2.475 1.00 50.00 C ATOM 596 CD PRO A 39 -8.175 -5.781 -3.516 1.00 50.00 C ATOM 0 HA PRO A 39 -10.505 -4.015 -4.709 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.106 -2.945 -3.210 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.781 -2.991 -2.695 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -8.048 -4.716 -1.649 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.665 -5.258 -2.051 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.088 -5.717 -3.561 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.424 -6.822 -3.310 1.00 50.00 H new ATOM 604 N ALA A 40 -9.864 -2.205 -6.174 1.00 50.00 N ATOM 605 CA ALA A 40 -9.513 -1.125 -7.088 1.00 50.00 C ATOM 606 C ALA A 40 -8.362 -0.292 -6.541 1.00 50.00 C ATOM 607 O ALA A 40 -7.421 0.035 -7.264 1.00 50.00 O ATOM 608 CB ALA A 40 -10.726 -0.246 -7.358 1.00 50.00 C ATOM 0 H ALA A 40 -10.861 -2.281 -5.974 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.186 -1.571 -8.027 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.449 0.556 -8.042 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.518 -0.847 -7.805 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.081 0.183 -6.421 1.00 50.00 H new ATOM 614 N PHE A 41 -8.440 0.047 -5.259 1.00 50.00 N ATOM 615 CA PHE A 41 -7.371 0.782 -4.593 1.00 50.00 C ATOM 616 C PHE A 41 -6.036 0.064 -4.738 1.00 50.00 C ATOM 617 O PHE A 41 -5.023 0.677 -5.071 1.00 50.00 O ATOM 618 CB PHE A 41 -7.702 0.984 -3.113 1.00 50.00 C ATOM 619 CG PHE A 41 -8.790 1.990 -2.868 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.264 2.788 -3.899 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.342 2.143 -1.605 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.265 3.714 -3.675 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.344 3.067 -1.379 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.805 3.853 -2.414 1.00 75.00 C ATOM 0 H PHE A 41 -9.234 -0.176 -4.659 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.287 1.757 -5.073 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.000 0.028 -2.683 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.801 1.302 -2.589 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.845 2.684 -4.889 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.985 1.533 -0.789 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.624 4.329 -4.487 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.767 3.174 -0.391 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.588 4.576 -2.237 1.00 75.00 H new ATOM 634 N ILE A 42 -6.042 -1.241 -4.486 1.00 50.00 N ATOM 635 CA ILE A 42 -4.830 -2.045 -4.579 1.00 50.00 C ATOM 636 C ILE A 42 -4.270 -2.035 -5.996 1.00 10.00 C ATOM 637 O ILE A 42 -3.056 -1.999 -6.193 1.00 50.00 O ATOM 638 CB ILE A 42 -5.082 -3.501 -4.148 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.397 -3.567 -2.650 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.881 -4.371 -4.482 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.261 -3.102 -1.768 1.00 50.00 C ATOM 0 H ILE A 42 -6.875 -1.764 -4.215 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.104 -1.597 -3.901 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.943 -3.881 -4.698 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.277 -2.957 -2.446 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.653 -4.593 -2.387 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -4.077 -5.397 -4.170 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.702 -4.346 -5.557 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.002 -3.994 -3.959 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.558 -3.177 -0.722 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.385 -3.727 -1.943 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.019 -2.065 -2.003 1.00 50.00 H new ATOM 653 N ASN A 43 -5.162 -2.065 -6.979 1.00 10.00 N ATOM 654 CA ASN A 43 -4.760 -2.047 -8.380 1.00 10.00 C ATOM 655 C ASN A 43 -4.080 -0.731 -8.741 1.00 10.00 C ATOM 656 O ASN A 43 -3.006 -0.722 -9.343 1.00 50.00 O ATOM 657 CB ASN A 43 -5.941 -2.295 -9.302 1.00 50.00 C ATOM 658 CG ASN A 43 -6.406 -3.725 -9.315 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.635 -4.652 -9.048 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.642 -3.913 -9.704 1.00 50.00 N ATOM 0 H ASN A 43 -6.171 -2.102 -6.831 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.044 -2.857 -8.518 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.769 -1.655 -8.997 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.668 -2.002 -10.316 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -8.008 -4.860 -9.799 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.238 -3.112 -9.912 1.00 50.00 H new ATOM 667 N ASP A 44 -4.711 0.375 -8.368 1.00 10.00 N ATOM 668 CA ASP A 44 -4.139 1.697 -8.598 1.00 10.00 C ATOM 669 C ASP A 44 -2.756 1.816 -7.968 1.00 10.00 C ATOM 670 O ASP A 44 -1.813 2.289 -8.603 1.00 50.00 O ATOM 671 CB ASP A 44 -5.063 2.785 -8.047 1.00 50.00 C ATOM 672 CG ASP A 44 -6.328 3.009 -8.863 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.399 2.511 -9.962 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.273 3.539 -8.327 1.00 50.00 O ATOM 0 H ASP A 44 -5.620 0.384 -7.905 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.036 1.832 -9.675 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.345 2.523 -7.027 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.509 3.722 -7.994 1.00 50.00 H new ATOM 679 N ILE A 45 -2.642 1.384 -6.717 1.00 10.00 N ATOM 680 CA ILE A 45 -1.390 1.491 -5.980 1.00 10.00 C ATOM 681 C ILE A 45 -0.284 0.690 -6.655 1.00 10.00 C ATOM 682 O ILE A 45 0.845 1.162 -6.792 1.00 50.00 O ATOM 683 CB ILE A 45 -1.545 1.010 -4.526 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.454 1.961 -3.744 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.184 0.896 -3.854 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.921 1.405 -2.417 1.00 50.00 C ATOM 0 H ILE A 45 -3.404 0.955 -6.192 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.119 2.547 -5.975 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.006 0.022 -4.535 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.921 2.896 -3.569 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.325 2.200 -4.354 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.313 0.555 -2.827 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.432 0.181 -4.399 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.305 1.870 -3.854 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.560 2.135 -1.921 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.482 0.486 -2.585 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.057 1.192 -1.787 1.00 50.00 H new ATOM 698 N LEU A 46 -0.615 -0.526 -7.076 1.00 10.00 N ATOM 699 CA LEU A 46 0.315 -1.353 -7.834 1.00 10.00 C ATOM 700 C LEU A 46 0.772 -0.648 -9.105 1.00 10.00 C ATOM 701 O LEU A 46 1.929 -0.764 -9.510 1.00 50.00 O ATOM 702 CB LEU A 46 -0.332 -2.700 -8.177 1.00 50.00 C ATOM 703 CG LEU A 46 -0.506 -3.661 -6.993 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.326 -4.871 -7.420 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.860 -4.089 -6.479 1.00 50.00 C ATOM 0 H LEU A 46 -1.522 -0.961 -6.905 1.00 10.00 H new ATOM 0 HA LEU A 46 1.193 -1.528 -7.213 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.310 -2.513 -8.619 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.273 -3.192 -8.938 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.039 -3.154 -6.189 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.444 -5.547 -6.574 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.307 -4.543 -7.762 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.814 -5.390 -8.230 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.735 -4.771 -5.638 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.408 -4.592 -7.276 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.418 -3.211 -6.154 1.00 50.00 H new ATOM 717 N LYS A 47 -0.143 0.085 -9.730 1.00 10.00 N ATOM 718 CA LYS A 47 0.154 0.781 -10.977 1.00 10.00 C ATOM 719 C LYS A 47 1.051 1.987 -10.733 1.00 10.00 C ATOM 720 O LYS A 47 1.757 2.440 -11.634 1.00 50.00 O ATOM 721 CB LYS A 47 -1.140 1.217 -11.667 1.00 50.00 C ATOM 722 CG LYS A 47 -1.945 0.075 -12.273 1.00 50.00 C ATOM 723 CD LYS A 47 -3.237 0.580 -12.898 1.00 50.00 C ATOM 724 CE LYS A 47 -4.042 -0.559 -13.503 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.297 -0.077 -14.141 1.00 50.00 N ATOM 0 H LYS A 47 -1.097 0.213 -9.393 1.00 10.00 H new ATOM 0 HA LYS A 47 0.686 0.088 -11.629 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.764 1.742 -10.944 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.895 1.931 -12.454 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.347 -0.433 -13.030 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.175 -0.660 -11.502 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.835 1.088 -12.141 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -3.007 1.315 -13.669 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.435 -1.078 -14.244 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.285 -1.284 -12.726 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.816 -0.885 -14.541 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.889 0.396 -13.429 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.065 0.595 -14.900 1.00 50.00 H new ATOM 739 N VAL A 48 1.017 2.507 -9.511 1.00 10.00 N ATOM 740 CA VAL A 48 1.903 3.597 -9.118 1.00 10.00 C ATOM 741 C VAL A 48 3.363 3.178 -9.203 1.00 10.00 C ATOM 742 O VAL A 48 3.788 2.230 -8.542 1.00 50.00 O ATOM 743 CB VAL A 48 1.601 4.080 -7.686 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.636 5.101 -7.240 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.204 4.675 -7.608 1.00 50.00 C ATOM 0 H VAL A 48 0.385 2.191 -8.775 1.00 10.00 H new ATOM 0 HA VAL A 48 1.723 4.416 -9.815 1.00 10.00 H new ATOM 0 HB VAL A 48 1.649 3.221 -7.016 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.408 5.432 -6.227 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.627 4.647 -7.259 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.616 5.957 -7.914 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.008 5.011 -6.590 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.131 5.522 -8.290 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.530 3.919 -7.888 1.00 50.00 H new ATOM 755 N GLU A 49 4.130 3.889 -10.023 1.00 10.00 N ATOM 756 CA GLU A 49 5.540 3.574 -10.220 1.00 10.00 C ATOM 757 C GLU A 49 6.310 3.655 -8.908 1.00 10.00 C ATOM 758 O GLU A 49 6.272 4.673 -8.217 1.00 50.00 O ATOM 759 CB GLU A 49 6.160 4.516 -11.254 1.00 50.00 C ATOM 760 CG GLU A 49 7.610 4.203 -11.597 1.00 50.00 C ATOM 761 CD GLU A 49 8.138 5.145 -12.643 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.384 5.963 -13.115 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.321 5.124 -12.892 1.00 50.00 O ATOM 0 H GLU A 49 3.798 4.688 -10.563 1.00 10.00 H new ATOM 0 HA GLU A 49 5.605 2.551 -10.591 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.566 4.476 -12.167 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.100 5.538 -10.879 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.222 4.274 -10.698 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.688 3.177 -11.956 1.00 50.00 H new ATOM 770 N GLY A 50 7.009 2.577 -8.570 1.00 10.00 N ATOM 771 CA GLY A 50 7.864 2.556 -7.389 1.00 10.00 C ATOM 772 C GLY A 50 7.392 1.513 -6.385 1.00 10.00 C ATOM 773 O GLY A 50 8.181 0.996 -5.595 1.00 50.00 O ATOM 0 H GLY A 50 7.000 1.705 -9.098 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.891 2.341 -7.684 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.866 3.540 -6.921 1.00 10.00 H new ATOM 777 N VAL A 51 6.100 1.206 -6.422 1.00 10.00 N ATOM 778 CA VAL A 51 5.522 0.212 -5.526 1.00 10.00 C ATOM 779 C VAL A 51 5.959 -1.195 -5.910 1.00 10.00 C ATOM 780 O VAL A 51 5.826 -1.603 -7.065 1.00 50.00 O ATOM 781 CB VAL A 51 3.984 0.278 -5.522 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.404 -0.840 -4.671 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.510 1.632 -5.015 1.00 50.00 C ATOM 0 H VAL A 51 5.432 1.632 -7.064 1.00 10.00 H new ATOM 0 HA VAL A 51 5.887 0.443 -4.525 1.00 10.00 H new ATOM 0 HB VAL A 51 3.632 0.150 -6.546 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.316 -0.777 -4.680 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.715 -1.803 -5.075 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.764 -0.742 -3.647 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.420 1.661 -5.019 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.873 1.788 -3.999 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.896 2.419 -5.663 1.00 50.00 H new ATOM 793 N LYS A 52 6.481 -1.935 -4.937 1.00 10.00 N ATOM 794 CA LYS A 52 7.022 -3.264 -5.191 1.00 10.00 C ATOM 795 C LYS A 52 5.968 -4.340 -4.972 1.00 10.00 C ATOM 796 O LYS A 52 5.650 -5.106 -5.881 1.00 50.00 O ATOM 797 CB LYS A 52 8.237 -3.526 -4.299 1.00 50.00 C ATOM 798 CG LYS A 52 8.898 -4.881 -4.519 1.00 50.00 C ATOM 799 CD LYS A 52 10.131 -5.044 -3.644 1.00 50.00 C ATOM 800 CE LYS A 52 10.813 -6.382 -3.890 1.00 50.00 C ATOM 801 NZ LYS A 52 12.074 -6.516 -3.111 1.00 50.00 N ATOM 0 H LYS A 52 6.540 -1.635 -3.964 1.00 10.00 H new ATOM 0 HA LYS A 52 7.334 -3.303 -6.235 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.975 -2.743 -4.472 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.930 -3.450 -3.256 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.185 -5.676 -4.298 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.177 -4.986 -5.567 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.832 -4.234 -3.846 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.847 -4.966 -2.594 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.133 -7.190 -3.621 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.030 -6.488 -4.953 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.507 -7.441 -3.307 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.734 -5.760 -3.385 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.864 -6.441 -2.095 1.00 50.00 H new ATOM 815 N SER A 53 5.429 -4.394 -3.758 1.00 10.00 N ATOM 816 CA SER A 53 4.411 -5.380 -3.415 1.00 10.00 C ATOM 817 C SER A 53 3.531 -4.888 -2.273 1.00 10.00 C ATOM 818 O SER A 53 3.929 -4.017 -1.499 1.00 50.00 O ATOM 819 CB SER A 53 5.066 -6.697 -3.047 1.00 50.00 C ATOM 820 OG SER A 53 5.839 -6.595 -1.884 1.00 50.00 O ATOM 0 H SER A 53 5.681 -3.766 -2.995 1.00 10.00 H new ATOM 0 HA SER A 53 3.775 -5.530 -4.287 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.297 -7.456 -2.905 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.695 -7.031 -3.872 1.00 50.00 H new ATOM 0 HG SER A 53 5.800 -5.676 -1.545 1.00 50.00 H new ATOM 826 N ILE A 54 2.332 -5.451 -2.174 1.00 10.00 N ATOM 827 CA ILE A 54 1.398 -5.083 -1.117 1.00 10.00 C ATOM 828 C ILE A 54 0.952 -6.305 -0.325 1.00 10.00 C ATOM 829 O ILE A 54 0.701 -7.368 -0.895 1.00 50.00 O ATOM 830 CB ILE A 54 0.157 -4.367 -1.683 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.572 -3.134 -2.489 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.791 -3.978 -0.558 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.533 -2.568 -3.350 1.00 50.00 C ATOM 0 H ILE A 54 1.984 -6.165 -2.814 1.00 10.00 H new ATOM 0 HA ILE A 54 1.928 -4.400 -0.454 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.365 -5.053 -2.350 1.00 50.00 H new ATOM 0 HG12 ILE A 54 0.916 -2.361 -1.802 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.418 -3.395 -3.125 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.663 -3.473 -0.975 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.111 -4.874 -0.025 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.280 -3.308 0.133 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.163 -1.697 -3.890 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.863 -3.324 -4.063 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.372 -2.274 -2.719 1.00 50.00 H new ATOM 845 N PHE A 55 0.854 -6.149 0.989 1.00 10.00 N ATOM 846 CA PHE A 55 0.310 -7.195 1.847 1.00 10.00 C ATOM 847 C PHE A 55 -0.799 -6.654 2.739 1.00 10.00 C ATOM 848 O PHE A 55 -0.633 -5.631 3.402 1.00 50.00 O ATOM 849 CB PHE A 55 1.417 -7.815 2.702 1.00 50.00 C ATOM 850 CG PHE A 55 0.935 -8.894 3.629 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.568 -10.139 3.136 1.00 50.00 C ATOM 852 CD2 PHE A 55 0.846 -8.669 4.995 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.124 -11.132 3.987 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.404 -9.661 5.847 1.00 50.00 C ATOM 855 CZ PHE A 55 0.041 -10.894 5.342 1.00 50.00 C ATOM 0 H PHE A 55 1.145 -5.307 1.485 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.115 -7.966 1.204 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.182 -8.229 2.045 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.892 -7.030 3.290 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.630 -10.333 2.075 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.126 -7.706 5.397 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.158 -12.096 3.590 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.342 -9.473 6.909 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.307 -11.670 6.007 1.00 50.00 H new ATOM 865 N HIS A 56 -1.934 -7.347 2.750 1.00 10.00 N ATOM 866 CA HIS A 56 -3.074 -6.938 3.559 1.00 10.00 C ATOM 867 C HIS A 56 -3.444 -8.010 4.576 1.00 10.00 C ATOM 868 O HIS A 56 -3.753 -9.144 4.210 1.00 50.00 O ATOM 869 CB HIS A 56 -4.282 -6.620 2.672 1.00 50.00 C ATOM 870 CG HIS A 56 -5.461 -6.088 3.427 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.680 -5.848 2.829 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.607 -5.750 4.730 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.525 -5.384 3.733 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.899 -5.316 4.892 1.00 50.00 N ATOM 0 H HIS A 56 -2.087 -8.196 2.206 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.786 -6.037 4.100 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.986 -5.891 1.918 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.580 -7.524 2.141 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -4.849 -5.811 5.497 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.553 -5.107 3.553 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.309 -4.993 5.768 1.00 50.00 H new ATOM 882 N VAL A 57 -3.408 -7.645 5.853 1.00 10.00 N ATOM 883 CA VAL A 57 -3.906 -8.515 6.912 1.00 10.00 C ATOM 884 C VAL A 57 -4.681 -7.722 7.957 1.00 10.00 C ATOM 885 O VAL A 57 -4.292 -6.613 8.322 1.00 50.00 O ATOM 886 CB VAL A 57 -2.761 -9.277 7.603 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.856 -8.311 8.353 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.317 -10.329 8.551 1.00 50.00 C ATOM 0 H VAL A 57 -3.039 -6.752 6.180 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.574 -9.235 6.439 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.171 -9.780 6.837 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -1.052 -8.866 8.836 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.431 -7.592 7.652 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.436 -7.782 9.109 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.494 -10.858 9.031 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.930 -9.846 9.312 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.926 -11.038 7.991 1.00 50.00 H new ATOM 898 N MET A 58 -5.778 -8.298 8.437 1.00 10.00 N ATOM 899 CA MET A 58 -6.701 -7.580 9.308 1.00 10.00 C ATOM 900 C MET A 58 -7.059 -6.218 8.726 1.00 10.00 C ATOM 901 O MET A 58 -7.447 -6.110 7.563 1.00 50.00 O ATOM 902 CB MET A 58 -6.097 -7.419 10.700 1.00 50.00 C ATOM 903 CG MET A 58 -5.811 -8.730 11.418 1.00 50.00 C ATOM 904 SD MET A 58 -7.284 -9.751 11.614 1.00 75.00 S ATOM 905 CE MET A 58 -8.240 -8.751 12.753 1.00 75.00 C ATOM 0 H MET A 58 -6.050 -9.261 8.237 1.00 10.00 H new ATOM 0 HA MET A 58 -7.617 -8.165 9.385 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.168 -6.855 10.616 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.777 -6.825 11.311 1.00 50.00 H new ATOM 0 HG2 MET A 58 -5.058 -9.288 10.861 1.00 50.00 H new ATOM 0 HG3 MET A 58 -5.388 -8.517 12.400 1.00 50.00 H new ATOM 0 HE1 MET A 58 -9.055 -9.347 13.165 1.00 75.00 H new ATOM 0 HE2 MET A 58 -7.597 -8.407 13.563 1.00 75.00 H new ATOM 0 HE3 MET A 58 -8.651 -7.890 12.225 1.00 75.00 H new ATOM 915 N ASP A 59 -6.928 -5.179 9.545 1.00 10.00 N ATOM 916 CA ASP A 59 -7.426 -3.855 9.188 1.00 10.00 C ATOM 917 C ASP A 59 -6.279 -2.890 8.918 1.00 10.00 C ATOM 918 O ASP A 59 -6.396 -1.689 9.161 1.00 50.00 O ATOM 919 CB ASP A 59 -8.326 -3.304 10.296 1.00 50.00 C ATOM 920 CG ASP A 59 -7.637 -3.142 11.644 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.513 -3.568 11.771 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.175 -2.462 12.485 1.00 50.00 O ATOM 0 H ASP A 59 -6.481 -5.228 10.461 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.011 -3.955 8.274 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.716 -2.336 9.982 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.182 -3.969 10.417 1.00 50.00 H new ATOM 927 N PHE A 60 -5.171 -3.422 8.413 1.00 10.00 N ATOM 928 CA PHE A 60 -4.031 -2.597 8.027 1.00 10.00 C ATOM 929 C PHE A 60 -3.282 -3.210 6.852 1.00 10.00 C ATOM 930 O PHE A 60 -3.326 -4.421 6.637 1.00 50.00 O ATOM 931 CB PHE A 60 -3.084 -2.407 9.213 1.00 50.00 C ATOM 932 CG PHE A 60 -2.419 -3.675 9.669 1.00 50.00 C ATOM 933 CD1 PHE A 60 -3.030 -4.501 10.600 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.180 -4.045 9.164 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.419 -5.667 11.019 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.568 -5.210 9.582 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.187 -6.021 10.509 1.00 50.00 C ATOM 0 H PHE A 60 -5.038 -4.422 8.261 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.412 -1.624 7.718 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.316 -1.683 8.940 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.642 -1.981 10.047 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -3.995 -4.230 11.002 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.690 -3.415 8.437 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -2.906 -6.301 11.745 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.397 -5.486 9.182 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.708 -6.932 10.836 1.00 50.00 H new ATOM 947 N ILE A 61 -2.592 -2.365 6.092 1.00 10.00 N ATOM 948 CA ILE A 61 -1.896 -2.809 4.891 1.00 10.00 C ATOM 949 C ILE A 61 -0.417 -2.451 4.947 1.00 10.00 C ATOM 950 O ILE A 61 -0.052 -1.333 5.311 1.00 50.00 O ATOM 951 CB ILE A 61 -2.515 -2.196 3.620 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.964 -2.658 3.457 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.692 -2.569 2.395 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.691 -1.994 2.308 1.00 50.00 C ATOM 0 H ILE A 61 -2.500 -1.368 6.288 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.002 -3.893 4.849 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.509 -1.111 3.719 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.977 -3.738 3.307 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.506 -2.458 4.382 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.143 -2.128 1.506 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.676 -2.193 2.511 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.668 -3.654 2.290 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.712 -2.372 2.256 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.711 -0.916 2.465 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.174 -2.215 1.374 1.00 50.00 H new ATOM 966 N SER A 62 0.432 -3.406 4.586 1.00 10.00 N ATOM 967 CA SER A 62 1.863 -3.152 4.460 1.00 10.00 C ATOM 968 C SER A 62 2.257 -2.926 3.005 1.00 10.00 C ATOM 969 O SER A 62 2.141 -3.826 2.174 1.00 50.00 O ATOM 970 CB SER A 62 2.650 -4.308 5.046 1.00 50.00 C ATOM 971 OG SER A 62 4.031 -4.145 4.873 1.00 50.00 O ATOM 0 H SER A 62 0.154 -4.365 4.375 1.00 10.00 H new ATOM 0 HA SER A 62 2.097 -2.244 5.015 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.426 -4.397 6.109 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.333 -5.238 4.574 1.00 50.00 H new ATOM 0 HG SER A 62 4.502 -4.909 5.265 1.00 50.00 H new ATOM 977 N VAL A 63 2.720 -1.718 2.705 1.00 10.00 N ATOM 978 CA VAL A 63 3.122 -1.368 1.348 1.00 10.00 C ATOM 979 C VAL A 63 4.610 -1.049 1.280 1.00 10.00 C ATOM 980 O VAL A 63 5.101 -0.171 1.988 1.00 50.00 O ATOM 981 CB VAL A 63 2.325 -0.164 0.815 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.758 0.176 -0.602 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.832 -0.451 0.859 1.00 50.00 C ATOM 0 H VAL A 63 2.826 -0.964 3.384 1.00 10.00 H new ATOM 0 HA VAL A 63 2.910 -2.236 0.724 1.00 10.00 H new ATOM 0 HB VAL A 63 2.531 0.694 1.455 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.184 1.030 -0.963 1.00 50.00 H new ATOM 0 HG12 VAL A 63 3.820 0.423 -0.609 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.581 -0.681 -1.252 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.284 0.411 0.478 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.611 -1.322 0.243 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.529 -0.648 1.888 1.00 50.00 H new ATOM 993 N ASP A 64 5.325 -1.770 0.421 1.00 10.00 N ATOM 994 CA ASP A 64 6.773 -1.628 0.323 1.00 10.00 C ATOM 995 C ASP A 64 7.202 -1.322 -1.105 1.00 10.00 C ATOM 996 O ASP A 64 6.595 -1.803 -2.061 1.00 50.00 O ATOM 997 CB ASP A 64 7.471 -2.896 0.822 1.00 50.00 C ATOM 998 CG ASP A 64 7.215 -4.131 -0.032 1.00 50.00 C ATOM 999 OD1 ASP A 64 6.096 -4.586 -0.064 1.00 50.00 O ATOM 1000 OD2 ASP A 64 8.095 -4.514 -0.764 1.00 50.00 O ATOM 0 H ASP A 64 4.925 -2.458 -0.217 1.00 10.00 H new ATOM 0 HA ASP A 64 7.068 -0.790 0.954 1.00 10.00 H new ATOM 0 HB2 ASP A 64 8.545 -2.713 0.863 1.00 50.00 H new ATOM 0 HB3 ASP A 64 7.143 -3.100 1.841 1.00 50.00 H new ATOM 1005 N LYS A 65 8.251 -0.518 -1.242 1.00 10.00 N ATOM 1006 CA LYS A 65 8.655 -0.006 -2.546 1.00 10.00 C ATOM 1007 C LYS A 65 9.912 -0.705 -3.047 1.00 10.00 C ATOM 1008 O LYS A 65 10.455 -1.582 -2.376 1.00 50.00 O ATOM 1009 CB LYS A 65 8.887 1.504 -2.479 1.00 50.00 C ATOM 1010 CG LYS A 65 10.037 1.925 -1.574 1.00 50.00 C ATOM 1011 CD LYS A 65 10.239 3.433 -1.599 1.00 50.00 C ATOM 1012 CE LYS A 65 11.266 3.872 -0.568 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.639 3.418 -0.921 1.00 50.00 N ATOM 0 H LYS A 65 8.836 -0.207 -0.467 1.00 10.00 H new ATOM 0 HA LYS A 65 7.847 -0.211 -3.249 1.00 10.00 H new ATOM 0 HB2 LYS A 65 9.079 1.875 -3.486 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.973 1.985 -2.131 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.836 1.600 -0.553 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.953 1.428 -1.892 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.564 3.742 -2.593 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.290 3.932 -1.405 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.254 4.959 -0.484 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.992 3.474 0.409 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 12.889 2.588 -0.346 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.672 3.164 -1.929 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 13.317 4.185 -0.735 1.00 50.00 H new ATOM 1027 N GLU A 66 10.369 -0.314 -4.232 1.00 10.00 N ATOM 1028 CA GLU A 66 11.657 -0.765 -4.744 1.00 10.00 C ATOM 1029 C GLU A 66 12.794 0.097 -4.212 1.00 10.00 C ATOM 1030 O GLU A 66 12.574 1.222 -3.763 1.00 50.00 O ATOM 1031 CB GLU A 66 11.659 -0.755 -6.274 1.00 50.00 C ATOM 1032 CG GLU A 66 10.685 -1.737 -6.910 1.00 50.00 C ATOM 1033 CD GLU A 66 10.832 -1.760 -8.406 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.583 -0.967 -8.923 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.283 -2.641 -9.024 1.00 50.00 O ATOM 0 H GLU A 66 9.865 0.316 -4.857 1.00 10.00 H new ATOM 0 HA GLU A 66 11.814 -1.786 -4.397 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.419 0.251 -6.619 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.666 -0.981 -6.626 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.859 -2.736 -6.510 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.664 -1.462 -6.647 1.00 50.00 H new ATOM 1042 N ASN A 67 14.011 -0.434 -4.268 1.00 10.00 N ATOM 1043 CA ASN A 67 15.172 0.248 -3.711 1.00 10.00 C ATOM 1044 C ASN A 67 15.415 1.580 -4.408 1.00 10.00 C ATOM 1045 O ASN A 67 15.784 2.567 -3.770 1.00 50.00 O ATOM 1046 CB ASN A 67 16.415 -0.619 -3.788 1.00 50.00 C ATOM 1047 CG ASN A 67 16.420 -1.758 -2.807 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.701 -1.741 -1.801 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.283 -2.711 -3.052 1.00 50.00 N ATOM 0 H ASN A 67 14.218 -1.337 -4.695 1.00 10.00 H new ATOM 0 HA ASN A 67 14.957 0.442 -2.660 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.505 -1.020 -4.797 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.293 0.003 -3.613 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.386 -3.487 -2.398 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.853 -2.678 -3.897 1.00 50.00 H new ATOM 1056 N ASP A 68 15.208 1.601 -5.721 1.00 10.00 N ATOM 1057 CA ASP A 68 15.401 2.814 -6.506 1.00 10.00 C ATOM 1058 C ASP A 68 14.342 3.858 -6.177 1.00 10.00 C ATOM 1059 O ASP A 68 14.637 5.048 -6.079 1.00 50.00 O ATOM 1060 CB ASP A 68 15.375 2.493 -8.003 1.00 50.00 C ATOM 1061 CG ASP A 68 16.613 1.768 -8.513 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.585 1.719 -7.796 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.527 1.138 -9.540 1.00 50.00 O ATOM 0 H ASP A 68 14.907 0.791 -6.263 1.00 10.00 H new ATOM 0 HA ASP A 68 16.377 3.226 -6.248 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.498 1.882 -8.216 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.259 3.423 -8.560 1.00 50.00 H new ATOM 1068 N ALA A 69 13.103 3.403 -6.008 1.00 10.00 N ATOM 1069 CA ALA A 69 11.985 4.303 -5.753 1.00 10.00 C ATOM 1070 C ALA A 69 12.145 5.018 -4.417 1.00 10.00 C ATOM 1071 O ALA A 69 12.895 4.568 -3.548 1.00 50.00 O ATOM 1072 CB ALA A 69 10.670 3.541 -5.796 1.00 50.00 C ATOM 0 H ALA A 69 12.849 2.416 -6.043 1.00 10.00 H new ATOM 0 HA ALA A 69 11.977 5.059 -6.538 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.845 4.227 -5.604 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.544 3.089 -6.780 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.677 2.760 -5.036 1.00 50.00 H new ATOM 1078 N ASN A 70 11.437 6.130 -4.257 1.00 10.00 N ATOM 1079 CA ASN A 70 11.400 6.838 -2.983 1.00 10.00 C ATOM 1080 C ASN A 70 9.967 7.066 -2.521 1.00 10.00 C ATOM 1081 O ASN A 70 9.052 7.178 -3.338 1.00 50.00 O ATOM 1082 CB ASN A 70 12.144 8.159 -3.059 1.00 50.00 C ATOM 1083 CG ASN A 70 13.610 8.012 -3.358 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.394 7.560 -2.515 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.997 8.467 -4.522 1.00 50.00 N ATOM 0 H ASN A 70 10.880 6.561 -4.995 1.00 10.00 H new ATOM 0 HA ASN A 70 11.903 6.207 -2.250 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.686 8.780 -3.829 1.00 50.00 H new ATOM 0 HB3 ASN A 70 12.027 8.687 -2.112 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.987 8.459 -4.769 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.309 8.829 -5.182 1.00 50.00 H new ATOM 1092 N TRP A 71 9.777 7.137 -1.208 1.00 10.00 N ATOM 1093 CA TRP A 71 8.457 7.377 -0.636 1.00 10.00 C ATOM 1094 C TRP A 71 7.991 8.802 -0.906 1.00 10.00 C ATOM 1095 O TRP A 71 6.793 9.081 -0.921 1.00 50.00 O ATOM 1096 CB TRP A 71 8.472 7.105 0.867 1.00 50.00 C ATOM 1097 CG TRP A 71 8.454 5.647 1.212 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.329 4.991 2.025 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.516 4.664 0.756 1.00 50.00 C ATOM 1100 NE1 TRP A 71 8.996 3.661 2.104 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.884 3.436 1.332 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.398 4.706 -0.085 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.182 2.263 1.096 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.693 3.532 -0.321 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.075 2.346 0.254 1.00 50.00 C ATOM 0 H TRP A 71 10.522 7.032 -0.519 1.00 10.00 H new ATOM 0 HA TRP A 71 7.755 6.694 -1.114 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.361 7.562 1.302 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.609 7.589 1.324 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.164 5.451 2.534 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.494 2.956 2.648 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.089 5.634 -0.542 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.480 1.327 1.545 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.829 3.553 -0.969 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.503 1.454 0.048 1.00 50.00 H new ATOM 1116 N GLU A 72 8.947 9.702 -1.117 1.00 10.00 N ATOM 1117 CA GLU A 72 8.635 11.095 -1.409 1.00 10.00 C ATOM 1118 C GLU A 72 7.660 11.208 -2.574 1.00 10.00 C ATOM 1119 O GLU A 72 6.745 12.031 -2.551 1.00 50.00 O ATOM 1120 CB GLU A 72 9.914 11.876 -1.719 1.00 50.00 C ATOM 1121 CG GLU A 72 9.695 13.358 -1.994 1.00 50.00 C ATOM 1122 CD GLU A 72 11.000 14.067 -2.232 1.00 50.00 C ATOM 1123 OE1 GLU A 72 12.023 13.430 -2.157 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.968 15.218 -2.599 1.00 75.00 O ATOM 0 H GLU A 72 9.944 9.490 -1.091 1.00 10.00 H new ATOM 0 HA GLU A 72 8.163 11.523 -0.525 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.601 11.772 -0.879 1.00 50.00 H new ATOM 0 HB3 GLU A 72 10.399 11.426 -2.585 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.050 13.477 -2.864 1.00 50.00 H new ATOM 0 HG3 GLU A 72 9.179 13.815 -1.149 1.00 50.00 H new ATOM 1131 N THR A 73 7.860 10.377 -3.592 1.00 10.00 N ATOM 1132 CA THR A 73 6.948 10.324 -4.727 1.00 10.00 C ATOM 1133 C THR A 73 5.791 9.371 -4.461 1.00 10.00 C ATOM 1134 O THR A 73 4.627 9.728 -4.643 1.00 50.00 O ATOM 1135 CB THR A 73 7.675 9.887 -6.014 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.704 10.833 -6.330 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.697 9.799 -7.176 1.00 50.00 C ATOM 0 H THR A 73 8.647 9.731 -3.653 1.00 10.00 H new ATOM 0 HA THR A 73 6.558 11.333 -4.864 1.00 10.00 H new ATOM 0 HB THR A 73 8.115 8.904 -5.848 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.166 10.553 -7.147 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.228 9.489 -8.076 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.921 9.070 -6.944 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.240 10.775 -7.342 1.00 50.00 H new ATOM 1145 N VAL A 74 6.118 8.157 -4.028 1.00 10.00 N ATOM 1146 CA VAL A 74 5.154 7.064 -4.017 1.00 10.00 C ATOM 1147 C VAL A 74 4.073 7.294 -2.970 1.00 10.00 C ATOM 1148 O VAL A 74 2.881 7.186 -3.260 1.00 50.00 O ATOM 1149 CB VAL A 74 5.838 5.711 -3.744 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.798 4.616 -3.555 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.786 5.354 -4.879 1.00 50.00 C ATOM 0 H VAL A 74 7.044 7.906 -3.680 1.00 10.00 H new ATOM 0 HA VAL A 74 4.698 7.038 -5.007 1.00 10.00 H new ATOM 0 HB VAL A 74 6.418 5.798 -2.825 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.299 3.667 -3.363 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.157 4.865 -2.709 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.192 4.530 -4.457 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.260 4.395 -4.669 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.227 5.286 -5.812 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.551 6.125 -4.970 1.00 50.00 H new ATOM 1161 N LEU A 75 4.493 7.613 -1.751 1.00 10.00 N ATOM 1162 CA LEU A 75 3.625 7.495 -0.586 1.00 10.00 C ATOM 1163 C LEU A 75 2.429 8.431 -0.692 1.00 50.00 C ATOM 1164 O LEU A 75 1.294 8.034 -0.432 1.00 50.00 O ATOM 1165 CB LEU A 75 4.418 7.786 0.695 1.00 50.00 C ATOM 1166 CG LEU A 75 3.638 7.589 2.002 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.178 6.145 2.125 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.518 7.977 3.182 1.00 50.00 C ATOM 0 H LEU A 75 5.431 7.956 -1.544 1.00 10.00 H new ATOM 0 HA LEU A 75 3.248 6.473 -0.547 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.297 7.142 0.714 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.777 8.814 0.656 1.00 50.00 H new ATOM 0 HG LEU A 75 2.755 8.227 1.997 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.626 6.017 3.056 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.532 5.896 1.283 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.046 5.485 2.124 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.964 7.837 4.110 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.409 7.350 3.193 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.812 9.023 3.089 1.00 50.00 H new ATOM 1180 N PRO A 76 2.690 9.676 -1.076 1.00 50.00 N ATOM 1181 CA PRO A 76 1.627 10.648 -1.301 1.00 50.00 C ATOM 1182 C PRO A 76 0.541 10.077 -2.204 1.00 50.00 C ATOM 1183 O PRO A 76 -0.649 10.260 -1.952 1.00 50.00 O ATOM 1184 CB PRO A 76 2.340 11.842 -1.942 1.00 50.00 C ATOM 1185 CG PRO A 76 3.728 11.778 -1.404 1.00 50.00 C ATOM 1186 CD PRO A 76 4.061 10.311 -1.331 1.00 50.00 C ATOM 0 HA PRO A 76 1.111 10.928 -0.383 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.332 11.772 -3.030 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.855 12.782 -1.679 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.426 12.307 -2.053 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.790 12.244 -0.421 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.511 9.950 -2.256 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.765 10.094 -0.528 1.00 50.00 H new ATOM 1194 N LYS A 77 0.959 9.382 -3.257 1.00 50.00 N ATOM 1195 CA LYS A 77 0.023 8.802 -4.212 1.00 50.00 C ATOM 1196 C LYS A 77 -0.777 7.670 -3.581 1.00 50.00 C ATOM 1197 O LYS A 77 -1.994 7.591 -3.742 1.00 50.00 O ATOM 1198 CB LYS A 77 0.766 8.295 -5.449 1.00 50.00 C ATOM 1199 CG LYS A 77 1.368 9.393 -6.315 1.00 50.00 C ATOM 1200 CD LYS A 77 2.109 8.813 -7.511 1.00 50.00 C ATOM 1201 CE LYS A 77 2.749 9.906 -8.350 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.480 9.352 -9.522 1.00 50.00 N ATOM 0 H LYS A 77 1.941 9.207 -3.470 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.674 9.584 -4.513 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.563 7.623 -5.129 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.077 7.707 -6.056 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.578 10.059 -6.662 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.053 9.995 -5.718 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.877 8.121 -7.165 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.417 8.238 -8.126 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.979 10.596 -8.696 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.438 10.481 -7.732 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.902 10.130 -10.068 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.232 8.714 -9.192 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.818 8.824 -10.126 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.085 6.793 -2.861 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.737 5.696 -2.155 1.00 50.00 C ATOM 1218 C VAL A 78 -1.802 6.213 -1.197 1.00 50.00 C ATOM 1219 O VAL A 78 -2.934 5.729 -1.194 1.00 50.00 O ATOM 1220 CB VAL A 78 0.280 4.846 -1.368 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.440 3.814 -0.513 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.254 4.165 -2.317 1.00 50.00 C ATOM 0 H VAL A 78 0.929 6.821 -2.751 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.208 5.071 -2.913 1.00 50.00 H new ATOM 0 HB VAL A 78 0.846 5.506 -0.710 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.292 3.222 0.036 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.099 4.321 0.192 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.030 3.158 -1.154 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.964 3.569 -1.744 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.704 3.517 -2.999 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.793 4.920 -2.889 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.433 7.197 -0.385 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.371 7.817 0.541 1.00 50.00 C ATOM 1234 C GLU A 79 -3.601 8.342 -0.188 1.00 50.00 C ATOM 1235 O GLU A 79 -4.729 8.172 0.274 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.691 8.953 1.312 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.588 9.646 2.329 1.00 50.00 C ATOM 1238 CD GLU A 79 -1.847 10.732 3.057 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.681 10.910 2.795 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.471 11.458 3.794 1.00 50.00 O ATOM 0 H GLU A 79 -0.489 7.582 -0.350 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.695 7.053 1.248 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.818 8.554 1.828 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.329 9.694 0.599 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.455 10.070 1.823 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -2.963 8.915 3.045 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.376 8.984 -1.329 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.466 9.518 -2.137 1.00 50.00 C ATOM 1249 C ALA A 80 -5.464 8.427 -2.504 1.00 50.00 C ATOM 1250 O ALA A 80 -6.675 8.634 -2.447 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.921 10.185 -3.390 1.00 50.00 C ATOM 0 H ALA A 80 -2.446 9.147 -1.716 1.00 50.00 H new ATOM 0 HA ALA A 80 -4.990 10.267 -1.543 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.748 10.578 -3.982 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.256 11.001 -3.108 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.368 9.454 -3.980 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.947 7.263 -2.883 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.780 6.192 -3.418 1.00 50.00 C ATOM 1259 C VAL A 81 -6.902 5.833 -2.452 1.00 50.00 C ATOM 1260 O VAL A 81 -8.067 5.755 -2.841 1.00 50.00 O ATOM 1261 CB VAL A 81 -4.952 4.929 -3.720 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.867 3.752 -4.025 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.003 5.179 -4.882 1.00 50.00 C ATOM 0 H VAL A 81 -3.954 7.037 -2.829 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.210 6.563 -4.348 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.360 4.687 -2.837 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.265 2.868 -4.236 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.508 3.557 -3.165 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.484 3.986 -4.892 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.426 4.276 -5.081 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.577 5.446 -5.769 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.325 5.994 -4.629 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.544 5.614 -1.192 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.505 5.174 -0.187 1.00 50.00 C ATOM 1275 C PHE A 82 -8.540 6.257 0.094 1.00 50.00 C ATOM 1276 O PHE A 82 -9.631 5.971 0.587 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.787 4.784 1.105 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.943 3.548 0.980 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.527 2.289 0.990 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.565 3.639 0.852 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.753 1.150 0.877 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.789 2.502 0.738 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.383 1.258 0.750 1.00 50.00 C ATOM 0 H PHE A 82 -5.594 5.734 -0.841 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.024 4.300 -0.580 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.155 5.613 1.423 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.528 4.629 1.889 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.599 2.199 1.087 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.093 4.610 0.841 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.220 0.176 0.888 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.717 2.588 0.639 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.777 0.369 0.660 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.193 7.499 -0.223 1.00 50.00 N ATOM 1294 CA GLU A 83 -9.051 8.637 0.083 1.00 50.00 C ATOM 1295 C GLU A 83 -9.881 9.042 -1.127 1.00 50.00 C ATOM 1296 O GLU A 83 -10.598 10.042 -1.094 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.215 9.822 0.568 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.407 9.548 1.828 1.00 50.00 C ATOM 1299 CD GLU A 83 -8.295 9.138 2.969 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -9.238 9.841 3.245 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -8.100 8.067 3.493 1.00 75.00 O ATOM 0 H GLU A 83 -7.321 7.744 -0.693 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.733 8.336 0.878 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.533 10.120 -0.228 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.878 10.667 0.753 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -6.678 8.762 1.631 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.846 10.441 2.104 1.00 50.00 H new ATOM 1308 N LEU A 84 -9.779 8.260 -2.197 1.00 50.00 N ATOM 1309 CA LEU A 84 -10.523 8.535 -3.420 1.00 75.00 C ATOM 1310 C LEU A 84 -12.021 8.362 -3.206 1.00 75.00 C ATOM 1311 O LEU A 84 -12.831 9.032 -3.847 1.00 75.00 O ATOM 1312 CB LEU A 84 -10.038 7.619 -4.552 1.00 75.00 C ATOM 1313 CG LEU A 84 -8.625 7.916 -5.071 1.00 75.00 C ATOM 1314 CD1 LEU A 84 -8.229 6.888 -6.124 1.00 75.00 C ATOM 1315 CD2 LEU A 84 -8.579 9.323 -5.649 1.00 75.00 C ATOM 0 H LEU A 84 -9.188 7.430 -2.241 1.00 50.00 H new ATOM 0 HA LEU A 84 -10.342 9.573 -3.699 1.00 75.00 H new ATOM 0 HB2 LEU A 84 -10.070 6.587 -4.202 1.00 75.00 H new ATOM 0 HB3 LEU A 84 -10.737 7.695 -5.385 1.00 75.00 H new ATOM 0 HG LEU A 84 -7.915 7.852 -4.246 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -7.225 7.107 -6.487 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -8.247 5.891 -5.684 1.00 75.00 H new ATOM 0 HD13 LEU A 84 -8.932 6.930 -6.956 1.00 75.00 H new ATOM 0 HD21 LEU A 84 -7.575 9.532 -6.017 1.00 75.00 H new ATOM 0 HD22 LEU A 84 -9.291 9.402 -6.471 1.00 75.00 H new ATOM 0 HD23 LEU A 84 -8.839 10.044 -4.874 1.00 75.00 H new ATOM 1327 N GLU A 85 -12.383 7.462 -2.298 1.00 75.00 N ATOM 1328 CA GLU A 85 -13.784 7.216 -1.979 1.00 75.00 C ATOM 1329 C GLU A 85 -14.296 8.210 -0.945 1.00 75.00 C ATOM 1330 O GLU A 85 -15.497 8.283 -0.681 1.00 75.00 O ATOM 1331 CB GLU A 85 -13.976 5.785 -1.472 1.00 75.00 C ATOM 1332 CG GLU A 85 -13.307 5.497 -0.135 1.00 75.00 C ATOM 1333 CD GLU A 85 -13.485 4.059 0.266 1.00 75.00 C ATOM 1334 OE1 GLU A 85 -14.013 3.305 -0.515 1.00 75.00 O ATOM 1335 OE2 GLU A 85 -12.993 3.688 1.304 1.00 75.00 O ATOM 0 H GLU A 85 -11.724 6.890 -1.769 1.00 75.00 H new ATOM 0 HA GLU A 85 -14.361 7.347 -2.894 1.00 75.00 H new ATOM 0 HB2 GLU A 85 -15.044 5.585 -1.381 1.00 75.00 H new ATOM 0 HB3 GLU A 85 -13.584 5.093 -2.217 1.00 75.00 H new ATOM 0 HG2 GLU A 85 -12.244 5.730 -0.200 1.00 75.00 H new ATOM 0 HG3 GLU A 85 -13.729 6.146 0.633 1.00 75.00 H new ATOM 1342 N HIS A 86 -13.379 8.975 -0.362 1.00 75.00 N ATOM 1343 CA HIS A 86 -13.738 9.972 0.638 1.00 75.00 C ATOM 1344 C HIS A 86 -14.481 11.143 0.009 1.00 75.00 C ATOM 1345 O HIS A 86 -14.287 11.453 -1.166 1.00 75.00 O ATOM 1346 CB HIS A 86 -12.490 10.476 1.371 1.00 75.00 C ATOM 1347 CG HIS A 86 -12.796 11.304 2.581 1.00 75.00 C ATOM 1348 ND1 HIS A 86 -13.118 12.643 2.503 1.00 75.00 N ATOM 1349 CD2 HIS A 86 -12.828 10.984 3.894 1.00 75.00 C ATOM 1350 CE1 HIS A 86 -13.335 13.111 3.720 1.00 75.00 C ATOM 1351 NE2 HIS A 86 -13.166 12.125 4.581 1.00 75.00 N ATOM 0 H HIS A 86 -12.381 8.923 -0.566 1.00 75.00 H new ATOM 0 HA HIS A 86 -14.402 9.493 1.358 1.00 75.00 H new ATOM 0 HB2 HIS A 86 -11.885 9.620 1.671 1.00 75.00 H new ATOM 0 HB3 HIS A 86 -11.887 11.066 0.681 1.00 75.00 H new ATOM 0 HD2 HIS A 86 -12.626 10.014 4.323 1.00 75.00 H new ATOM 0 HE1 HIS A 86 -13.605 14.127 3.968 1.00 75.00 H new ATOM 0 HE2 HIS A 86 -13.270 12.198 5.593 1.00 75.00 H new ATOM 1359 N HIS A 87 -15.331 11.791 0.797 1.00 75.00 N ATOM 1360 CA HIS A 87 -16.094 12.938 0.322 1.00 75.00 C ATOM 1361 C HIS A 87 -15.191 13.956 -0.362 1.00 75.00 C ATOM 1362 O HIS A 87 -15.557 14.539 -1.382 1.00 75.00 O ATOM 1363 CB HIS A 87 -16.850 13.602 1.477 1.00 75.00 C ATOM 1364 CG HIS A 87 -17.617 14.824 1.072 1.00 75.00 C ATOM 1365 ND1 HIS A 87 -18.800 14.757 0.366 1.00 75.00 N ATOM 1366 CD2 HIS A 87 -17.371 16.138 1.275 1.00 75.00 C ATOM 1367 CE1 HIS A 87 -19.247 15.982 0.150 1.00 75.00 C ATOM 1368 NE2 HIS A 87 -18.400 16.838 0.692 1.00 75.00 N ATOM 0 H HIS A 87 -15.509 11.541 1.770 1.00 75.00 H new ATOM 0 HA HIS A 87 -16.816 12.573 -0.409 1.00 75.00 H new ATOM 0 HB2 HIS A 87 -17.540 12.878 1.912 1.00 75.00 H new ATOM 0 HB3 HIS A 87 -16.139 13.873 2.257 1.00 75.00 H new ATOM 0 HD2 HIS A 87 -16.524 16.559 1.797 1.00 75.00 H new ATOM 0 HE1 HIS A 87 -20.152 16.239 -0.380 1.00 75.00 H new ATOM 0 HE2 HIS A 87 -18.494 17.854 0.680 1.00 75.00 H new ATOM 1376 N HIS A 88 -14.009 14.166 0.207 1.00 75.00 N ATOM 1377 CA HIS A 88 -13.042 15.100 -0.357 1.00 75.00 C ATOM 1378 C HIS A 88 -12.416 14.543 -1.631 1.00 75.00 C ATOM 1379 O HIS A 88 -12.036 15.296 -2.527 1.00 75.00 O ATOM 1380 CB HIS A 88 -11.948 15.430 0.661 1.00 75.00 C ATOM 1381 CG HIS A 88 -12.435 16.234 1.826 1.00 75.00 C ATOM 1382 ND1 HIS A 88 -11.718 16.357 2.998 1.00 75.00 N ATOM 1383 CD2 HIS A 88 -13.566 16.957 2.001 1.00 75.00 C ATOM 1384 CE1 HIS A 88 -12.388 17.122 3.843 1.00 75.00 C ATOM 1385 NE2 HIS A 88 -13.513 17.498 3.262 1.00 75.00 N ATOM 0 H HIS A 88 -13.697 13.701 1.060 1.00 75.00 H new ATOM 0 HA HIS A 88 -13.577 16.016 -0.608 1.00 75.00 H new ATOM 0 HB2 HIS A 88 -11.513 14.500 1.028 1.00 75.00 H new ATOM 0 HB3 HIS A 88 -11.151 15.979 0.160 1.00 75.00 H new ATOM 0 HD2 HIS A 88 -14.362 17.085 1.282 1.00 75.00 H new ATOM 0 HE1 HIS A 88 -12.070 17.393 4.839 1.00 75.00 H new ATOM 0 HE2 HIS A 88 -14.227 18.094 3.682 1.00 75.00 H new ATOM 1393 N HIS A 89 -12.311 13.221 -1.702 1.00 75.00 N ATOM 1394 CA HIS A 89 -11.670 12.563 -2.834 1.00 75.00 C ATOM 1395 C HIS A 89 -10.188 12.908 -2.904 1.00 75.00 C ATOM 1396 O HIS A 89 -9.571 13.245 -1.893 1.00 75.00 O ATOM 1397 CB HIS A 89 -12.361 12.950 -4.147 1.00 75.00 C ATOM 1398 CG HIS A 89 -13.838 12.710 -4.142 1.00 75.00 C ATOM 1399 ND1 HIS A 89 -14.387 11.449 -4.040 1.00 75.00 N ATOM 1400 CD2 HIS A 89 -14.881 13.568 -4.229 1.00 75.00 C ATOM 1401 CE1 HIS A 89 -15.705 11.543 -4.063 1.00 75.00 C ATOM 1402 NE2 HIS A 89 -16.029 12.818 -4.178 1.00 75.00 N ATOM 0 H HIS A 89 -12.662 12.583 -0.988 1.00 75.00 H new ATOM 0 HA HIS A 89 -11.766 11.487 -2.689 1.00 75.00 H new ATOM 0 HB2 HIS A 89 -12.174 14.005 -4.349 1.00 75.00 H new ATOM 0 HB3 HIS A 89 -11.913 12.385 -4.964 1.00 75.00 H new ATOM 0 HD1 HIS A 89 -13.859 10.580 -3.959 1.00 75.00 H new ATOM 0 HD2 HIS A 89 -14.821 14.642 -4.321 1.00 75.00 H new ATOM 0 HE1 HIS A 89 -16.399 10.718 -3.999 1.00 75.00 H new ATOM 1410 N HIS A 90 -9.621 12.820 -4.103 1.00 75.00 N ATOM 1411 CA HIS A 90 -8.228 13.190 -4.321 1.00 75.00 C ATOM 1412 C HIS A 90 -7.895 13.229 -5.806 1.00 75.00 C ATOM 1413 O HIS A 90 -8.762 13.016 -6.654 1.00 75.00 O ATOM 1414 CB HIS A 90 -7.290 12.217 -3.599 1.00 75.00 C ATOM 1415 CG HIS A 90 -6.096 12.878 -2.985 1.00 75.00 C ATOM 1416 ND1 HIS A 90 -5.084 13.435 -3.740 1.00 75.00 N ATOM 1417 CD2 HIS A 90 -5.748 13.068 -1.691 1.00 75.00 C ATOM 1418 CE1 HIS A 90 -4.167 13.944 -2.935 1.00 75.00 C ATOM 1419 NE2 HIS A 90 -4.546 13.732 -1.687 1.00 75.00 N ATOM 0 H HIS A 90 -10.106 12.495 -4.939 1.00 75.00 H new ATOM 0 HA HIS A 90 -8.084 14.189 -3.910 1.00 75.00 H new ATOM 0 HB2 HIS A 90 -7.848 11.698 -2.820 1.00 75.00 H new ATOM 0 HB3 HIS A 90 -6.952 11.460 -4.306 1.00 75.00 H new ATOM 0 HD2 HIS A 90 -6.311 12.756 -0.824 1.00 75.00 H new ATOM 0 HE1 HIS A 90 -3.263 14.447 -3.244 1.00 75.00 H new ATOM 0 HE2 HIS A 90 -4.029 14.016 -0.855 1.00 75.00 H new ATOM 1427 N HIS A 91 -6.633 13.504 -6.117 1.00 75.00 N ATOM 1428 CA HIS A 91 -6.186 13.590 -7.503 1.00 75.00 C ATOM 1429 C HIS A 91 -6.843 14.763 -8.220 1.00 75.00 C ATOM 1430 O HIS A 91 -6.421 15.875 -8.065 1.00 75.00 O ATOM 1431 CB HIS A 91 -6.482 12.286 -8.249 1.00 75.00 C ATOM 1432 CG HIS A 91 -5.706 11.111 -7.737 1.00 75.00 C ATOM 1433 ND1 HIS A 91 -5.916 9.828 -8.194 1.00 75.00 N ATOM 1434 CD2 HIS A 91 -4.725 11.026 -6.808 1.00 75.00 C ATOM 1435 CE1 HIS A 91 -5.094 9.001 -7.568 1.00 75.00 C ATOM 1436 NE2 HIS A 91 -4.363 9.704 -6.722 1.00 75.00 N ATOM 1437 OXT HIS A 91 -7.784 14.573 -8.941 1.00 75.00 O ATOM 0 H HIS A 91 -5.900 13.671 -5.427 1.00 75.00 H new ATOM 0 HA HIS A 91 -5.108 13.753 -7.494 1.00 75.00 H new ATOM 0 HB2 HIS A 91 -7.547 12.068 -8.173 1.00 75.00 H new ATOM 0 HB3 HIS A 91 -6.260 12.424 -9.307 1.00 75.00 H new ATOM 0 HD1 HIS A 91 -6.598 9.558 -8.903 1.00 75.00 H new ATOM 0 HD2 HIS A 91 -4.306 11.844 -6.241 1.00 75.00 H new ATOM 0 HE1 HIS A 91 -5.032 7.934 -7.723 1.00 75.00 H new TER 1445 HIS A 91