USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 872 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 CYS SG : rot 39:sc= 0.0191 USER MOD Set 2.1: A 42 TYR OH : rot -56:sc= 0.106 USER MOD Set 2.2: A 45 SER OG : rot -43:sc= 1.77 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0906 F(o=-1.1,f=-0.091) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0474) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.307 (180deg=-0.232!) USER MOD Single : A 24 GLN : amide:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 29 THR OG1 : rot -35:sc= 0.613 USER MOD Single : A 30 CYS SG : rot 13:sc= 0.281 USER MOD Single : A 31 TYR OH : rot 30:sc= -0.329 USER MOD Single : A 32 THR OG1 : rot 75:sc= 0.165 USER MOD Single : A 34 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.011) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 175:sc= 1.87 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.000508 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -73:sc= 0.757 USER MOD Single : A 60 SER OG : rot 45:sc= 0.627 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= 1.33 (180deg=1.15) USER MOD Single : A 74 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-1.4) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0724 USER MOD Single : A 78 GLN : amide:sc= -0.661 X(o=-0.66,f=-1) USER MOD Single : A 79 TYR OH : rot -166:sc= 0.736 USER MOD Single : A 80 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.21) USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= 1.29 (180deg=-0.217) USER MOD Single : A 85 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 87 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.454) USER MOD Single : A 89 MET CE :methyl -117:sc= -0.011 (180deg=-0.781) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -4.52! C(o=-6.3!,f=-4.5!) USER MOD Single : A 95 SER OG : rot -146:sc= 0.105 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.36) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -175:sc= 1.39 (180deg=1.22) USER MOD Single : A 107 LYS NZ :NH3+ -146:sc= 0.544 (180deg=0.0807) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.056 -2.135 12.298 1.00 11.32 N ATOM 2 CA GLY A 1 17.313 -3.323 12.720 1.00 61.21 C ATOM 3 C GLY A 1 16.862 -4.053 11.482 1.00 0.35 C ATOM 4 O GLY A 1 17.632 -4.801 10.894 1.00 75.34 O ATOM 0 H1 GLY A 1 18.379 -1.612 13.137 1.00 11.32 H new ATOM 0 H2 GLY A 1 18.879 -2.423 11.731 1.00 11.32 H new ATOM 0 H3 GLY A 1 17.438 -1.524 11.726 1.00 11.32 H new ATOM 0 HA2 GLY A 1 17.942 -3.967 13.335 1.00 61.21 H new ATOM 0 HA3 GLY A 1 16.455 -3.039 13.329 1.00 61.21 H new ATOM 8 N ASP A 2 15.639 -3.807 11.031 1.00 34.25 N ATOM 9 CA ASP A 2 15.067 -4.524 9.895 1.00 74.24 C ATOM 10 C ASP A 2 15.441 -3.835 8.566 1.00 53.33 C ATOM 11 O ASP A 2 14.636 -3.804 7.636 1.00 52.12 O ATOM 12 CB ASP A 2 13.552 -4.680 10.120 1.00 51.50 C ATOM 13 CG ASP A 2 13.258 -5.407 11.432 1.00 33.34 C ATOM 14 OD1 ASP A 2 13.521 -6.628 11.524 1.00 24.42 O ATOM 15 OD2 ASP A 2 12.852 -4.720 12.391 1.00 4.21 O ATOM 0 H ASP A 2 15.017 -3.109 11.439 1.00 34.25 H new ATOM 0 HA ASP A 2 15.487 -5.527 9.820 1.00 74.24 H new ATOM 0 HB2 ASP A 2 13.081 -3.697 10.133 1.00 51.50 H new ATOM 0 HB3 ASP A 2 13.114 -5.233 9.289 1.00 51.50 H new ATOM 20 N GLU A 3 16.648 -3.261 8.453 1.00 12.33 N ATOM 21 CA GLU A 3 17.133 -2.512 7.298 1.00 44.13 C ATOM 22 C GLU A 3 18.335 -3.288 6.746 1.00 62.33 C ATOM 23 O GLU A 3 19.485 -3.004 7.090 1.00 11.32 O ATOM 24 CB GLU A 3 17.422 -1.024 7.635 1.00 71.22 C ATOM 25 CG GLU A 3 16.514 0.005 6.922 1.00 63.21 C ATOM 26 CD GLU A 3 16.944 0.373 5.489 1.00 0.32 C ATOM 27 OE1 GLU A 3 17.523 -0.491 4.786 1.00 12.54 O ATOM 28 OE2 GLU A 3 16.684 1.516 5.030 1.00 60.22 O ATOM 0 H GLU A 3 17.339 -3.312 9.201 1.00 12.33 H new ATOM 0 HA GLU A 3 16.370 -2.439 6.523 1.00 44.13 H new ATOM 0 HB2 GLU A 3 17.322 -0.887 8.712 1.00 71.22 H new ATOM 0 HB3 GLU A 3 18.459 -0.806 7.381 1.00 71.22 H new ATOM 0 HG2 GLU A 3 15.499 -0.390 6.890 1.00 63.21 H new ATOM 0 HG3 GLU A 3 16.483 0.915 7.521 1.00 63.21 H new ATOM 35 N ASP A 4 18.059 -4.350 5.982 1.00 13.14 N ATOM 36 CA ASP A 4 19.042 -5.190 5.292 1.00 55.32 C ATOM 37 C ASP A 4 18.306 -6.103 4.308 1.00 73.00 C ATOM 38 O ASP A 4 18.256 -7.320 4.480 1.00 61.20 O ATOM 39 CB ASP A 4 19.915 -6.032 6.242 1.00 32.23 C ATOM 40 CG ASP A 4 20.980 -6.841 5.472 1.00 21.23 C ATOM 41 OD1 ASP A 4 21.140 -6.672 4.239 1.00 53.50 O ATOM 42 OD2 ASP A 4 21.736 -7.600 6.123 1.00 13.35 O ATOM 0 H ASP A 4 17.101 -4.661 5.821 1.00 13.14 H new ATOM 0 HA ASP A 4 19.728 -4.522 4.771 1.00 55.32 H new ATOM 0 HB2 ASP A 4 20.406 -5.377 6.962 1.00 32.23 H new ATOM 0 HB3 ASP A 4 19.282 -6.713 6.811 1.00 32.23 H new ATOM 47 N ASP A 5 17.668 -5.517 3.293 1.00 0.13 N ATOM 48 CA ASP A 5 17.050 -6.304 2.205 1.00 60.03 C ATOM 49 C ASP A 5 17.254 -5.802 0.761 1.00 52.33 C ATOM 50 O ASP A 5 16.712 -6.423 -0.164 1.00 64.23 O ATOM 51 CB ASP A 5 15.542 -6.526 2.422 1.00 42.33 C ATOM 52 CG ASP A 5 15.058 -7.132 3.738 1.00 63.32 C ATOM 53 OD1 ASP A 5 15.050 -8.377 3.893 1.00 33.22 O ATOM 54 OD2 ASP A 5 14.533 -6.375 4.574 1.00 71.43 O ATOM 0 H ASP A 5 17.562 -4.507 3.195 1.00 0.13 H new ATOM 0 HA ASP A 5 17.610 -7.236 2.282 1.00 60.03 H new ATOM 0 HB2 ASP A 5 15.048 -5.561 2.304 1.00 42.33 H new ATOM 0 HB3 ASP A 5 15.186 -7.167 1.615 1.00 42.33 H new ATOM 59 N LYS A 6 18.027 -4.727 0.550 1.00 74.23 N ATOM 60 CA LYS A 6 18.103 -3.858 -0.637 1.00 4.11 C ATOM 61 C LYS A 6 16.789 -3.115 -0.909 1.00 75.00 C ATOM 62 O LYS A 6 15.786 -3.301 -0.216 1.00 64.22 O ATOM 63 CB LYS A 6 18.570 -4.637 -1.880 1.00 35.22 C ATOM 64 CG LYS A 6 20.080 -4.757 -2.090 1.00 33.41 C ATOM 65 CD LYS A 6 20.388 -5.748 -3.230 1.00 63.34 C ATOM 66 CE LYS A 6 19.753 -5.338 -4.571 1.00 61.04 C ATOM 67 NZ LYS A 6 19.727 -6.436 -5.559 1.00 24.41 N ATOM 0 H LYS A 6 18.676 -4.413 1.272 1.00 74.23 H new ATOM 0 HA LYS A 6 18.853 -3.099 -0.415 1.00 4.11 H new ATOM 0 HB2 LYS A 6 18.153 -5.643 -1.827 1.00 35.22 H new ATOM 0 HB3 LYS A 6 18.141 -4.160 -2.761 1.00 35.22 H new ATOM 0 HG2 LYS A 6 20.499 -3.779 -2.327 1.00 33.41 H new ATOM 0 HG3 LYS A 6 20.556 -5.093 -1.169 1.00 33.41 H new ATOM 0 HD2 LYS A 6 21.468 -5.826 -3.354 1.00 63.34 H new ATOM 0 HD3 LYS A 6 20.027 -6.738 -2.951 1.00 63.34 H new ATOM 0 HE2 LYS A 6 18.735 -4.993 -4.393 1.00 61.04 H new ATOM 0 HE3 LYS A 6 20.307 -4.496 -4.986 1.00 61.04 H new ATOM 0 HZ1 LYS A 6 19.289 -6.100 -6.440 1.00 24.41 H new ATOM 0 HZ2 LYS A 6 20.699 -6.751 -5.754 1.00 24.41 H new ATOM 0 HZ3 LYS A 6 19.175 -7.232 -5.179 1.00 24.41 H new ATOM 81 N VAL A 7 16.820 -2.234 -1.907 1.00 42.14 N ATOM 82 CA VAL A 7 15.679 -1.482 -2.407 1.00 52.23 C ATOM 83 C VAL A 7 15.754 -1.385 -3.944 1.00 51.22 C ATOM 84 O VAL A 7 16.850 -1.314 -4.512 1.00 75.10 O ATOM 85 CB VAL A 7 15.622 -0.137 -1.651 1.00 62.01 C ATOM 86 CG1 VAL A 7 16.732 0.838 -2.057 1.00 63.11 C ATOM 87 CG2 VAL A 7 14.262 0.551 -1.781 1.00 31.34 C ATOM 0 H VAL A 7 17.681 -2.018 -2.409 1.00 42.14 H new ATOM 0 HA VAL A 7 14.729 -1.980 -2.212 1.00 52.23 H new ATOM 0 HB VAL A 7 15.781 -0.404 -0.606 1.00 62.01 H new ATOM 0 HG11 VAL A 7 16.631 1.762 -1.487 1.00 63.11 H new ATOM 0 HG12 VAL A 7 17.704 0.389 -1.852 1.00 63.11 H new ATOM 0 HG13 VAL A 7 16.652 1.058 -3.122 1.00 63.11 H new ATOM 0 HG21 VAL A 7 14.276 1.492 -1.231 1.00 31.34 H new ATOM 0 HG22 VAL A 7 14.053 0.748 -2.832 1.00 31.34 H new ATOM 0 HG23 VAL A 7 13.486 -0.096 -1.372 1.00 31.34 H new ATOM 97 N GLU A 8 14.602 -1.359 -4.624 1.00 23.14 N ATOM 98 CA GLU A 8 14.423 -1.145 -6.057 1.00 71.21 C ATOM 99 C GLU A 8 13.221 -0.212 -6.237 1.00 43.23 C ATOM 100 O GLU A 8 12.263 -0.300 -5.467 1.00 11.24 O ATOM 101 CB GLU A 8 14.146 -2.494 -6.760 1.00 74.42 C ATOM 102 CG GLU A 8 15.378 -3.091 -7.450 1.00 4.41 C ATOM 103 CD GLU A 8 15.169 -3.298 -8.963 1.00 35.15 C ATOM 104 OE1 GLU A 8 14.859 -2.305 -9.660 1.00 75.22 O ATOM 105 OE2 GLU A 8 15.294 -4.447 -9.449 1.00 20.42 O ATOM 0 H GLU A 8 13.710 -1.497 -4.150 1.00 23.14 H new ATOM 0 HA GLU A 8 15.321 -0.707 -6.494 1.00 71.21 H new ATOM 0 HB2 GLU A 8 13.770 -3.206 -6.026 1.00 74.42 H new ATOM 0 HB3 GLU A 8 13.358 -2.354 -7.500 1.00 74.42 H new ATOM 0 HG2 GLU A 8 16.233 -2.433 -7.292 1.00 4.41 H new ATOM 0 HG3 GLU A 8 15.622 -4.047 -6.987 1.00 4.41 H new ATOM 112 N ILE A 9 13.244 0.647 -7.262 1.00 54.13 N ATOM 113 CA ILE A 9 12.128 1.510 -7.664 1.00 32.35 C ATOM 114 C ILE A 9 11.012 0.646 -8.288 1.00 20.41 C ATOM 115 O ILE A 9 9.969 0.494 -7.649 1.00 53.24 O ATOM 116 CB ILE A 9 12.633 2.704 -8.528 1.00 75.00 C ATOM 117 CG1 ILE A 9 13.304 3.783 -7.641 1.00 23.44 C ATOM 118 CG2 ILE A 9 11.506 3.402 -9.314 1.00 34.41 C ATOM 119 CD1 ILE A 9 14.774 3.518 -7.304 1.00 41.32 C ATOM 0 H ILE A 9 14.067 0.764 -7.854 1.00 54.13 H new ATOM 0 HA ILE A 9 11.671 1.992 -6.799 1.00 32.35 H new ATOM 0 HB ILE A 9 13.342 2.268 -9.231 1.00 75.00 H new ATOM 0 HG12 ILE A 9 13.230 4.746 -8.147 1.00 23.44 H new ATOM 0 HG13 ILE A 9 12.743 3.868 -6.711 1.00 23.44 H new ATOM 0 HG21 ILE A 9 11.923 4.224 -9.895 1.00 34.41 H new ATOM 0 HG22 ILE A 9 11.033 2.686 -9.986 1.00 34.41 H new ATOM 0 HG23 ILE A 9 10.763 3.790 -8.617 1.00 34.41 H new ATOM 0 HD11 ILE A 9 15.156 4.326 -6.680 1.00 41.32 H new ATOM 0 HD12 ILE A 9 14.860 2.574 -6.766 1.00 41.32 H new ATOM 0 HD13 ILE A 9 15.355 3.465 -8.225 1.00 41.32 H new ATOM 131 N PRO A 10 11.187 0.009 -9.466 1.00 23.02 N ATOM 132 CA PRO A 10 10.099 -0.693 -10.160 1.00 23.35 C ATOM 133 C PRO A 10 9.563 -1.926 -9.411 1.00 12.42 C ATOM 134 O PRO A 10 8.556 -2.515 -9.812 1.00 72.14 O ATOM 135 CB PRO A 10 10.664 -1.066 -11.532 1.00 71.04 C ATOM 136 CG PRO A 10 12.154 -1.200 -11.245 1.00 21.13 C ATOM 137 CD PRO A 10 12.391 -0.040 -10.288 1.00 2.14 C ATOM 0 HA PRO A 10 9.227 -0.043 -10.231 1.00 23.35 H new ATOM 0 HB2 PRO A 10 10.237 -1.996 -11.908 1.00 71.04 H new ATOM 0 HB3 PRO A 10 10.461 -0.297 -12.278 1.00 71.04 H new ATOM 0 HG2 PRO A 10 12.399 -2.161 -10.792 1.00 21.13 H new ATOM 0 HG3 PRO A 10 12.755 -1.113 -12.150 1.00 21.13 H new ATOM 0 HD2 PRO A 10 13.280 -0.203 -9.679 1.00 2.14 H new ATOM 0 HD3 PRO A 10 12.541 0.895 -10.828 1.00 2.14 H new ATOM 145 N GLN A 11 10.181 -2.320 -8.295 1.00 20.21 N ATOM 146 CA GLN A 11 9.639 -3.340 -7.412 1.00 75.24 C ATOM 147 C GLN A 11 8.256 -2.953 -6.909 1.00 34.13 C ATOM 148 O GLN A 11 7.348 -3.787 -6.931 1.00 42.41 O ATOM 149 CB GLN A 11 10.607 -3.604 -6.251 1.00 1.53 C ATOM 150 CG GLN A 11 10.986 -5.078 -6.111 1.00 11.42 C ATOM 151 CD GLN A 11 11.879 -5.608 -7.226 1.00 21.34 C ATOM 152 OE1 GLN A 11 11.321 -5.937 -8.377 1.00 61.01 O flip ATOM 153 NE2 GLN A 11 13.078 -5.765 -7.033 1.00 61.14 N flip ATOM 0 H GLN A 11 11.073 -1.936 -7.983 1.00 20.21 H new ATOM 0 HA GLN A 11 9.527 -4.265 -7.978 1.00 75.24 H new ATOM 0 HB2 GLN A 11 11.512 -3.015 -6.399 1.00 1.53 H new ATOM 0 HB3 GLN A 11 10.152 -3.262 -5.321 1.00 1.53 H new ATOM 0 HG2 GLN A 11 11.494 -5.221 -5.157 1.00 11.42 H new ATOM 0 HG3 GLN A 11 10.074 -5.674 -6.079 1.00 11.42 H new ATOM 0 HE21 GLN A 11 13.489 -5.504 -6.137 1.00 61.14 H new ATOM 0 HE22 GLN A 11 13.666 -6.157 -7.769 1.00 61.14 H new ATOM 162 N LEU A 12 8.085 -1.697 -6.487 1.00 24.43 N ATOM 163 CA LEU A 12 6.812 -1.212 -5.977 1.00 64.10 C ATOM 164 C LEU A 12 5.717 -1.327 -7.032 1.00 51.42 C ATOM 165 O LEU A 12 4.584 -1.638 -6.700 1.00 43.42 O ATOM 166 CB LEU A 12 6.988 0.236 -5.502 1.00 40.31 C ATOM 167 CG LEU A 12 5.705 0.960 -5.042 1.00 15.44 C ATOM 168 CD1 LEU A 12 5.083 1.762 -6.186 1.00 4.21 C ATOM 169 CD2 LEU A 12 4.812 0.150 -4.091 1.00 20.03 C ATOM 0 H LEU A 12 8.825 -0.995 -6.492 1.00 24.43 H new ATOM 0 HA LEU A 12 6.499 -1.828 -5.134 1.00 64.10 H new ATOM 0 HB2 LEU A 12 7.700 0.242 -4.677 1.00 40.31 H new ATOM 0 HB3 LEU A 12 7.435 0.811 -6.313 1.00 40.31 H new ATOM 0 HG LEU A 12 5.966 1.745 -4.332 1.00 15.44 H new ATOM 0 HD11 LEU A 12 4.181 2.261 -5.832 1.00 4.21 H new ATOM 0 HD12 LEU A 12 5.796 2.508 -6.537 1.00 4.21 H new ATOM 0 HD13 LEU A 12 4.828 1.090 -7.005 1.00 4.21 H new ATOM 0 HD21 LEU A 12 3.936 0.741 -3.823 1.00 20.03 H new ATOM 0 HD22 LEU A 12 4.494 -0.768 -4.585 1.00 20.03 H new ATOM 0 HD23 LEU A 12 5.372 -0.098 -3.189 1.00 20.03 H new ATOM 181 N VAL A 13 6.046 -1.143 -8.302 1.00 2.43 N ATOM 182 CA VAL A 13 5.075 -1.060 -9.385 1.00 62.44 C ATOM 183 C VAL A 13 4.439 -2.444 -9.712 1.00 43.32 C ATOM 184 O VAL A 13 3.572 -2.597 -10.575 1.00 54.50 O ATOM 185 CB VAL A 13 5.829 -0.416 -10.567 1.00 61.33 C ATOM 186 CG1 VAL A 13 4.873 -0.162 -11.718 1.00 62.40 C ATOM 187 CG2 VAL A 13 6.503 0.911 -10.158 1.00 53.43 C ATOM 0 H VAL A 13 7.012 -1.045 -8.615 1.00 2.43 H new ATOM 0 HA VAL A 13 4.212 -0.450 -9.116 1.00 62.44 H new ATOM 0 HB VAL A 13 6.608 -1.112 -10.878 1.00 61.33 H new ATOM 0 HG11 VAL A 13 5.415 0.293 -12.547 1.00 62.40 H new ATOM 0 HG12 VAL A 13 4.437 -1.106 -12.044 1.00 62.40 H new ATOM 0 HG13 VAL A 13 4.080 0.510 -11.391 1.00 62.40 H new ATOM 0 HG21 VAL A 13 7.024 1.334 -11.017 1.00 53.43 H new ATOM 0 HG22 VAL A 13 5.744 1.613 -9.812 1.00 53.43 H new ATOM 0 HG23 VAL A 13 7.217 0.724 -9.356 1.00 53.43 H new ATOM 197 N GLY A 14 4.893 -3.493 -9.032 1.00 43.54 N ATOM 198 CA GLY A 14 4.226 -4.784 -8.931 1.00 15.15 C ATOM 199 C GLY A 14 2.893 -4.710 -8.168 1.00 64.12 C ATOM 200 O GLY A 14 2.434 -3.652 -7.741 1.00 23.22 O ATOM 0 H GLY A 14 5.772 -3.464 -8.516 1.00 43.54 H new ATOM 0 HA2 GLY A 14 4.044 -5.173 -9.933 1.00 15.15 H new ATOM 0 HA3 GLY A 14 4.887 -5.491 -8.430 1.00 15.15 H new ATOM 204 N LYS A 15 2.261 -5.872 -7.987 1.00 64.43 N ATOM 205 CA LYS A 15 1.041 -6.038 -7.198 1.00 13.44 C ATOM 206 C LYS A 15 1.412 -6.624 -5.841 1.00 73.43 C ATOM 207 O LYS A 15 2.435 -7.320 -5.729 1.00 35.02 O ATOM 208 CB LYS A 15 0.061 -6.968 -7.922 1.00 20.45 C ATOM 209 CG LYS A 15 -0.446 -6.452 -9.266 1.00 15.41 C ATOM 210 CD LYS A 15 -0.955 -7.602 -10.149 1.00 41.43 C ATOM 211 CE LYS A 15 0.116 -8.117 -11.127 1.00 35.14 C ATOM 212 NZ LYS A 15 1.089 -9.065 -10.543 1.00 53.34 N ATOM 0 H LYS A 15 2.593 -6.745 -8.396 1.00 64.43 H new ATOM 0 HA LYS A 15 0.558 -5.070 -7.064 1.00 13.44 H new ATOM 0 HB2 LYS A 15 0.547 -7.931 -8.080 1.00 20.45 H new ATOM 0 HB3 LYS A 15 -0.796 -7.146 -7.272 1.00 20.45 H new ATOM 0 HG2 LYS A 15 -1.249 -5.733 -9.103 1.00 15.41 H new ATOM 0 HG3 LYS A 15 0.356 -5.923 -9.781 1.00 15.41 H new ATOM 0 HD2 LYS A 15 -1.286 -8.423 -9.514 1.00 41.43 H new ATOM 0 HD3 LYS A 15 -1.824 -7.264 -10.713 1.00 41.43 H new ATOM 0 HE2 LYS A 15 -0.383 -8.602 -11.966 1.00 35.14 H new ATOM 0 HE3 LYS A 15 0.660 -7.263 -11.530 1.00 35.14 H new ATOM 0 HZ1 LYS A 15 1.717 -9.422 -11.291 1.00 53.34 H new ATOM 0 HZ2 LYS A 15 1.655 -8.579 -9.818 1.00 53.34 H new ATOM 0 HZ3 LYS A 15 0.580 -9.861 -10.109 1.00 53.34 H new ATOM 226 N TRP A 16 0.575 -6.369 -4.840 1.00 11.53 N ATOM 227 CA TRP A 16 0.954 -6.442 -3.444 1.00 74.02 C ATOM 228 C TRP A 16 -0.281 -6.682 -2.586 1.00 34.01 C ATOM 229 O TRP A 16 -1.200 -5.856 -2.565 1.00 21.32 O ATOM 230 CB TRP A 16 1.544 -5.090 -3.061 1.00 12.13 C ATOM 231 CG TRP A 16 2.856 -4.748 -3.645 1.00 41.12 C ATOM 232 CD1 TRP A 16 3.041 -3.919 -4.690 1.00 62.42 C ATOM 233 CD2 TRP A 16 4.171 -5.131 -3.175 1.00 11.24 C ATOM 234 NE1 TRP A 16 4.386 -3.767 -4.915 1.00 54.22 N ATOM 235 CE2 TRP A 16 5.135 -4.489 -4.012 1.00 40.50 C ATOM 236 CE3 TRP A 16 4.637 -5.919 -2.100 1.00 31.34 C ATOM 237 CZ2 TRP A 16 6.512 -4.643 -3.816 1.00 35.21 C ATOM 238 CZ3 TRP A 16 6.017 -5.960 -1.844 1.00 14.25 C ATOM 239 CH2 TRP A 16 6.950 -5.369 -2.702 1.00 44.50 C ATOM 0 H TRP A 16 -0.399 -6.102 -4.984 1.00 11.53 H new ATOM 0 HA TRP A 16 1.666 -7.252 -3.289 1.00 74.02 H new ATOM 0 HB2 TRP A 16 0.832 -4.315 -3.347 1.00 12.13 H new ATOM 0 HB3 TRP A 16 1.635 -5.054 -1.975 1.00 12.13 H new ATOM 0 HD1 TRP A 16 2.255 -3.448 -5.261 1.00 62.42 H new ATOM 0 HE1 TRP A 16 4.782 -3.191 -5.658 1.00 54.22 H new ATOM 0 HE3 TRP A 16 3.946 -6.479 -1.487 1.00 31.34 H new ATOM 0 HZ2 TRP A 16 7.220 -4.212 -4.508 1.00 35.21 H new ATOM 0 HZ3 TRP A 16 6.369 -6.464 -0.956 1.00 14.25 H new ATOM 0 HH2 TRP A 16 8.007 -5.473 -2.505 1.00 44.50 H new ATOM 250 N ILE A 17 -0.297 -7.789 -1.857 1.00 63.42 N ATOM 251 CA ILE A 17 -1.465 -8.280 -1.167 1.00 51.10 C ATOM 252 C ILE A 17 -1.258 -7.846 0.292 1.00 72.04 C ATOM 253 O ILE A 17 -0.140 -7.968 0.801 1.00 54.54 O ATOM 254 CB ILE A 17 -1.497 -9.805 -1.422 1.00 23.05 C ATOM 255 CG1 ILE A 17 -2.909 -10.374 -1.406 1.00 12.13 C ATOM 256 CG2 ILE A 17 -0.662 -10.633 -0.430 1.00 74.10 C ATOM 257 CD1 ILE A 17 -3.418 -10.334 -2.858 1.00 11.55 C ATOM 0 H ILE A 17 0.525 -8.379 -1.731 1.00 63.42 H new ATOM 0 HA ILE A 17 -2.434 -7.899 -1.489 1.00 51.10 H new ATOM 0 HB ILE A 17 -1.056 -9.895 -2.415 1.00 23.05 H new ATOM 0 HG12 ILE A 17 -2.911 -11.395 -1.023 1.00 12.13 H new ATOM 0 HG13 ILE A 17 -3.555 -9.788 -0.753 1.00 12.13 H new ATOM 0 HG21 ILE A 17 -0.741 -11.691 -0.682 1.00 74.10 H new ATOM 0 HG22 ILE A 17 0.382 -10.324 -0.486 1.00 74.10 H new ATOM 0 HG23 ILE A 17 -1.034 -10.472 0.582 1.00 74.10 H new ATOM 0 HD11 ILE A 17 -4.431 -10.733 -2.899 1.00 11.55 H new ATOM 0 HD12 ILE A 17 -3.419 -9.304 -3.215 1.00 11.55 H new ATOM 0 HD13 ILE A 17 -2.765 -10.936 -3.489 1.00 11.55 H new ATOM 269 N VAL A 18 -2.271 -7.234 0.925 1.00 54.20 N ATOM 270 CA VAL A 18 -2.167 -6.770 2.340 1.00 4.11 C ATOM 271 C VAL A 18 -2.534 -7.925 3.243 1.00 62.41 C ATOM 272 O VAL A 18 -2.593 -7.743 4.449 1.00 74.40 O ATOM 273 CB VAL A 18 -3.130 -5.630 2.800 1.00 60.10 C ATOM 274 CG1 VAL A 18 -2.451 -4.839 3.946 1.00 34.41 C ATOM 275 CG2 VAL A 18 -3.590 -4.680 1.712 1.00 73.10 C ATOM 0 H VAL A 18 -3.174 -7.044 0.491 1.00 54.20 H new ATOM 0 HA VAL A 18 -1.147 -6.391 2.401 1.00 4.11 H new ATOM 0 HB VAL A 18 -4.043 -6.125 3.131 1.00 60.10 H new ATOM 0 HG11 VAL A 18 -3.113 -4.039 4.278 1.00 34.41 H new ATOM 0 HG12 VAL A 18 -2.247 -5.510 4.780 1.00 34.41 H new ATOM 0 HG13 VAL A 18 -1.515 -4.411 3.588 1.00 34.41 H new ATOM 0 HG21 VAL A 18 -4.254 -3.929 2.141 1.00 73.10 H new ATOM 0 HG22 VAL A 18 -2.724 -4.188 1.269 1.00 73.10 H new ATOM 0 HG23 VAL A 18 -4.123 -5.239 0.943 1.00 73.10 H new ATOM 285 N LYS A 19 -2.949 -9.051 2.678 1.00 3.54 N ATOM 286 CA LYS A 19 -3.526 -10.146 3.470 1.00 53.51 C ATOM 287 C LYS A 19 -2.664 -10.752 4.615 1.00 65.34 C ATOM 288 O LYS A 19 -2.900 -11.866 5.079 1.00 63.01 O ATOM 289 CB LYS A 19 -4.024 -11.210 2.491 1.00 41.43 C ATOM 290 CG LYS A 19 -5.179 -12.052 3.039 1.00 64.44 C ATOM 291 CD LYS A 19 -5.641 -13.018 1.953 1.00 41.52 C ATOM 292 CE LYS A 19 -6.950 -13.661 2.372 1.00 54.24 C ATOM 293 NZ LYS A 19 -7.547 -14.444 1.279 1.00 31.42 N ATOM 0 H LYS A 19 -2.900 -9.237 1.676 1.00 3.54 H new ATOM 0 HA LYS A 19 -4.336 -9.702 4.048 1.00 53.51 H new ATOM 0 HB2 LYS A 19 -4.345 -10.723 1.570 1.00 41.43 H new ATOM 0 HB3 LYS A 19 -3.196 -11.869 2.231 1.00 41.43 H new ATOM 0 HG2 LYS A 19 -4.858 -12.603 3.923 1.00 64.44 H new ATOM 0 HG3 LYS A 19 -6.003 -11.408 3.347 1.00 64.44 H new ATOM 0 HD2 LYS A 19 -5.770 -12.487 1.010 1.00 41.52 H new ATOM 0 HD3 LYS A 19 -4.884 -13.784 1.787 1.00 41.52 H new ATOM 0 HE2 LYS A 19 -6.778 -14.309 3.232 1.00 54.24 H new ATOM 0 HE3 LYS A 19 -7.650 -12.888 2.690 1.00 54.24 H new ATOM 0 HZ1 LYS A 19 -8.564 -14.567 1.456 1.00 31.42 H new ATOM 0 HZ2 LYS A 19 -7.410 -13.943 0.378 1.00 31.42 H new ATOM 0 HZ3 LYS A 19 -7.089 -15.376 1.229 1.00 31.42 H new ATOM 307 N GLU A 20 -1.629 -10.066 5.072 1.00 64.00 N ATOM 308 CA GLU A 20 -0.644 -10.486 6.028 1.00 22.43 C ATOM 309 C GLU A 20 -0.018 -9.238 6.721 1.00 4.24 C ATOM 310 O GLU A 20 0.824 -8.556 6.124 1.00 60.03 O ATOM 311 CB GLU A 20 0.353 -11.329 5.220 1.00 12.15 C ATOM 312 CG GLU A 20 0.348 -12.783 5.683 1.00 10.54 C ATOM 313 CD GLU A 20 0.829 -12.911 7.129 1.00 73.11 C ATOM 314 OE1 GLU A 20 1.380 -11.932 7.689 1.00 41.53 O ATOM 315 OE2 GLU A 20 0.719 -14.030 7.682 1.00 11.31 O ATOM 0 H GLU A 20 -1.450 -9.116 4.747 1.00 64.00 H new ATOM 0 HA GLU A 20 -1.044 -11.083 6.848 1.00 22.43 H new ATOM 0 HB2 GLU A 20 0.100 -11.281 4.161 1.00 12.15 H new ATOM 0 HB3 GLU A 20 1.355 -10.914 5.327 1.00 12.15 H new ATOM 0 HG2 GLU A 20 -0.659 -13.190 5.596 1.00 10.54 H new ATOM 0 HG3 GLU A 20 0.989 -13.376 5.031 1.00 10.54 H new ATOM 322 N PRO A 21 -0.404 -8.893 7.964 1.00 72.04 N ATOM 323 CA PRO A 21 -1.597 -9.381 8.621 1.00 71.11 C ATOM 324 C PRO A 21 -2.842 -8.895 7.883 1.00 64.03 C ATOM 325 O PRO A 21 -2.939 -7.721 7.511 1.00 33.04 O ATOM 326 CB PRO A 21 -1.609 -8.785 10.034 1.00 63.43 C ATOM 327 CG PRO A 21 -0.184 -8.290 10.228 1.00 33.43 C ATOM 328 CD PRO A 21 0.235 -7.907 8.815 1.00 72.32 C ATOM 0 HA PRO A 21 -1.598 -10.471 8.638 1.00 71.11 H new ATOM 0 HB2 PRO A 21 -2.330 -7.972 10.120 1.00 63.43 H new ATOM 0 HB3 PRO A 21 -1.879 -9.531 10.781 1.00 63.43 H new ATOM 0 HG2 PRO A 21 -0.140 -7.439 10.908 1.00 33.43 H new ATOM 0 HG3 PRO A 21 0.460 -9.064 10.645 1.00 33.43 H new ATOM 0 HD2 PRO A 21 -0.090 -6.897 8.565 1.00 72.32 H new ATOM 0 HD3 PRO A 21 1.319 -7.930 8.703 1.00 72.32 H new ATOM 336 N VAL A 22 -3.811 -9.783 7.729 1.00 20.23 N ATOM 337 CA VAL A 22 -5.106 -9.459 7.162 1.00 61.04 C ATOM 338 C VAL A 22 -5.935 -8.642 8.169 1.00 33.34 C ATOM 339 O VAL A 22 -5.665 -8.605 9.377 1.00 75.33 O ATOM 340 CB VAL A 22 -5.754 -10.746 6.584 1.00 53.41 C ATOM 341 CG1 VAL A 22 -5.665 -11.983 7.482 1.00 45.20 C ATOM 342 CG2 VAL A 22 -7.207 -10.619 6.108 1.00 32.44 C ATOM 0 H VAL A 22 -3.717 -10.762 7.999 1.00 20.23 H new ATOM 0 HA VAL A 22 -5.025 -8.793 6.303 1.00 61.04 H new ATOM 0 HB VAL A 22 -5.118 -10.886 5.710 1.00 53.41 H new ATOM 0 HG11 VAL A 22 -6.146 -12.827 6.988 1.00 45.20 H new ATOM 0 HG12 VAL A 22 -4.618 -12.222 7.670 1.00 45.20 H new ATOM 0 HG13 VAL A 22 -6.167 -11.782 8.428 1.00 45.20 H new ATOM 0 HG21 VAL A 22 -7.550 -11.580 5.726 1.00 32.44 H new ATOM 0 HG22 VAL A 22 -7.838 -10.314 6.943 1.00 32.44 H new ATOM 0 HG23 VAL A 22 -7.267 -9.872 5.317 1.00 32.44 H new ATOM 352 N LEU A 23 -6.923 -7.919 7.641 1.00 62.31 N ATOM 353 CA LEU A 23 -7.940 -7.176 8.378 1.00 32.05 C ATOM 354 C LEU A 23 -9.150 -8.089 8.576 1.00 40.41 C ATOM 355 O LEU A 23 -9.033 -9.311 8.692 1.00 2.42 O ATOM 356 CB LEU A 23 -8.281 -5.833 7.685 1.00 75.41 C ATOM 357 CG LEU A 23 -7.084 -4.926 7.347 1.00 44.52 C ATOM 358 CD1 LEU A 23 -7.564 -3.501 7.024 1.00 23.01 C ATOM 359 CD2 LEU A 23 -6.096 -4.825 8.511 1.00 71.13 C ATOM 0 H LEU A 23 -7.040 -7.833 6.631 1.00 62.31 H new ATOM 0 HA LEU A 23 -7.564 -6.890 9.360 1.00 32.05 H new ATOM 0 HB2 LEU A 23 -8.820 -6.049 6.762 1.00 75.41 H new ATOM 0 HB3 LEU A 23 -8.962 -5.277 8.329 1.00 75.41 H new ATOM 0 HG LEU A 23 -6.588 -5.376 6.487 1.00 44.52 H new ATOM 0 HD11 LEU A 23 -6.705 -2.873 6.787 1.00 23.01 H new ATOM 0 HD12 LEU A 23 -8.239 -3.530 6.169 1.00 23.01 H new ATOM 0 HD13 LEU A 23 -8.088 -3.089 7.887 1.00 23.01 H new ATOM 0 HD21 LEU A 23 -5.267 -4.176 8.229 1.00 71.13 H new ATOM 0 HD22 LEU A 23 -6.602 -4.410 9.383 1.00 71.13 H new ATOM 0 HD23 LEU A 23 -5.714 -5.817 8.751 1.00 71.13 H new ATOM 371 N GLN A 24 -10.319 -7.485 8.726 1.00 21.33 N ATOM 372 CA GLN A 24 -11.607 -8.134 8.590 1.00 52.34 C ATOM 373 C GLN A 24 -12.402 -7.550 7.417 1.00 31.14 C ATOM 374 O GLN A 24 -12.048 -6.497 6.883 1.00 2.15 O ATOM 375 CB GLN A 24 -12.359 -7.999 9.908 1.00 14.43 C ATOM 376 CG GLN A 24 -12.517 -6.538 10.343 1.00 13.54 C ATOM 377 CD GLN A 24 -13.913 -6.289 10.886 1.00 15.31 C ATOM 378 OE1 GLN A 24 -14.338 -6.943 11.834 1.00 3.23 O ATOM 379 NE2 GLN A 24 -14.682 -5.429 10.243 1.00 35.45 N ATOM 0 H GLN A 24 -10.396 -6.494 8.954 1.00 21.33 H new ATOM 0 HA GLN A 24 -11.465 -9.191 8.367 1.00 52.34 H new ATOM 0 HB2 GLN A 24 -13.344 -8.455 9.809 1.00 14.43 H new ATOM 0 HB3 GLN A 24 -11.829 -8.551 10.684 1.00 14.43 H new ATOM 0 HG2 GLN A 24 -11.776 -6.298 11.106 1.00 13.54 H new ATOM 0 HG3 GLN A 24 -12.328 -5.878 9.496 1.00 13.54 H new ATOM 0 HE21 GLN A 24 -14.306 -4.897 9.458 1.00 35.45 H new ATOM 0 HE22 GLN A 24 -15.651 -5.297 10.531 1.00 35.45 H new ATOM 388 N ASP A 25 -13.536 -8.192 7.110 1.00 40.11 N ATOM 389 CA ASP A 25 -14.620 -7.682 6.255 1.00 4.25 C ATOM 390 C ASP A 25 -14.182 -7.394 4.807 1.00 23.22 C ATOM 391 O ASP A 25 -14.856 -6.690 4.063 1.00 51.22 O ATOM 392 CB ASP A 25 -15.247 -6.463 6.930 1.00 62.24 C ATOM 393 CG ASP A 25 -16.638 -6.130 6.396 1.00 73.34 C ATOM 394 OD1 ASP A 25 -17.535 -7.000 6.486 1.00 14.45 O ATOM 395 OD2 ASP A 25 -16.838 -4.949 6.023 1.00 74.30 O ATOM 0 H ASP A 25 -13.734 -9.127 7.467 1.00 40.11 H new ATOM 0 HA ASP A 25 -15.370 -8.466 6.154 1.00 4.25 H new ATOM 0 HB2 ASP A 25 -15.310 -6.642 8.003 1.00 62.24 H new ATOM 0 HB3 ASP A 25 -14.594 -5.601 6.788 1.00 62.24 H new ATOM 400 N ASP A 26 -13.023 -7.931 4.414 1.00 11.15 N ATOM 401 CA ASP A 26 -12.335 -7.771 3.123 1.00 35.01 C ATOM 402 C ASP A 26 -11.853 -6.338 2.897 1.00 43.42 C ATOM 403 O ASP A 26 -11.548 -5.924 1.773 1.00 34.25 O ATOM 404 CB ASP A 26 -13.151 -8.297 1.927 1.00 14.45 C ATOM 405 CG ASP A 26 -13.600 -9.748 2.055 1.00 55.33 C ATOM 406 OD1 ASP A 26 -12.960 -10.556 2.771 1.00 55.30 O ATOM 407 OD2 ASP A 26 -14.650 -10.094 1.475 1.00 42.44 O ATOM 0 H ASP A 26 -12.496 -8.540 5.040 1.00 11.15 H new ATOM 0 HA ASP A 26 -11.449 -8.404 3.184 1.00 35.01 H new ATOM 0 HB2 ASP A 26 -14.032 -7.668 1.800 1.00 14.45 H new ATOM 0 HB3 ASP A 26 -12.552 -8.194 1.022 1.00 14.45 H new ATOM 412 N PHE A 27 -11.752 -5.527 3.951 1.00 64.30 N ATOM 413 CA PHE A 27 -11.091 -4.239 3.838 1.00 31.31 C ATOM 414 C PHE A 27 -9.610 -4.445 3.477 1.00 64.42 C ATOM 415 O PHE A 27 -8.812 -4.864 4.312 1.00 64.12 O ATOM 416 CB PHE A 27 -11.346 -3.378 5.082 1.00 41.23 C ATOM 417 CG PHE A 27 -12.538 -2.449 4.909 1.00 21.43 C ATOM 418 CD1 PHE A 27 -13.847 -2.963 4.823 1.00 75.23 C ATOM 419 CD2 PHE A 27 -12.329 -1.062 4.787 1.00 44.21 C ATOM 420 CE1 PHE A 27 -14.937 -2.091 4.652 1.00 1.53 C ATOM 421 CE2 PHE A 27 -13.419 -0.187 4.631 1.00 51.11 C ATOM 422 CZ PHE A 27 -14.727 -0.702 4.578 1.00 61.10 C ATOM 0 H PHE A 27 -12.117 -5.741 4.879 1.00 64.30 H new ATOM 0 HA PHE A 27 -11.519 -3.663 3.018 1.00 31.31 H new ATOM 0 HB2 PHE A 27 -11.516 -4.027 5.941 1.00 41.23 H new ATOM 0 HB3 PHE A 27 -10.457 -2.787 5.300 1.00 41.23 H new ATOM 0 HD1 PHE A 27 -14.014 -4.028 4.888 1.00 75.23 H new ATOM 0 HD2 PHE A 27 -11.324 -0.667 4.813 1.00 44.21 H new ATOM 0 HE1 PHE A 27 -15.938 -2.489 4.577 1.00 1.53 H new ATOM 0 HE2 PHE A 27 -13.252 0.877 4.552 1.00 51.11 H new ATOM 0 HZ PHE A 27 -15.569 -0.032 4.481 1.00 61.10 H new ATOM 432 N VAL A 28 -9.285 -4.127 2.216 1.00 0.34 N ATOM 433 CA VAL A 28 -7.981 -3.785 1.632 1.00 72.33 C ATOM 434 C VAL A 28 -7.046 -4.998 1.505 1.00 42.42 C ATOM 435 O VAL A 28 -6.676 -5.548 2.538 1.00 22.41 O ATOM 436 CB VAL A 28 -7.332 -2.642 2.454 1.00 53.24 C ATOM 437 CG1 VAL A 28 -6.178 -2.000 1.696 1.00 71.02 C ATOM 438 CG2 VAL A 28 -8.293 -1.481 2.755 1.00 11.54 C ATOM 0 H VAL A 28 -10.012 -4.100 1.501 1.00 0.34 H new ATOM 0 HA VAL A 28 -8.149 -3.441 0.611 1.00 72.33 H new ATOM 0 HB VAL A 28 -7.015 -3.129 3.376 1.00 53.24 H new ATOM 0 HG11 VAL A 28 -5.745 -1.203 2.300 1.00 71.02 H new ATOM 0 HG12 VAL A 28 -5.417 -2.752 1.488 1.00 71.02 H new ATOM 0 HG13 VAL A 28 -6.545 -1.586 0.757 1.00 71.02 H new ATOM 0 HG21 VAL A 28 -7.772 -0.718 3.333 1.00 11.54 H new ATOM 0 HG22 VAL A 28 -8.646 -1.049 1.819 1.00 11.54 H new ATOM 0 HG23 VAL A 28 -9.143 -1.852 3.327 1.00 11.54 H new ATOM 448 N THR A 29 -6.505 -5.333 0.306 1.00 31.14 N ATOM 449 CA THR A 29 -5.758 -6.573 0.040 1.00 73.04 C ATOM 450 C THR A 29 -5.315 -6.853 -1.358 1.00 23.43 C ATOM 451 O THR A 29 -4.661 -7.859 -1.582 1.00 60.22 O ATOM 452 CB THR A 29 -6.675 -7.707 0.446 1.00 11.22 C ATOM 453 OG1 THR A 29 -6.154 -9.024 0.404 1.00 3.35 O ATOM 454 CG2 THR A 29 -7.966 -7.530 -0.468 1.00 22.24 C ATOM 0 H THR A 29 -6.582 -4.732 -0.514 1.00 31.14 H new ATOM 0 HA THR A 29 -4.827 -6.466 0.596 1.00 73.04 H new ATOM 0 HB THR A 29 -6.874 -7.622 1.514 1.00 11.22 H new ATOM 0 HG1 THR A 29 -5.535 -9.107 -0.351 1.00 3.35 H new ATOM 0 HG21 THR A 29 -8.686 -8.315 -0.237 1.00 22.24 H new ATOM 0 HG22 THR A 29 -8.417 -6.556 -0.276 1.00 22.24 H new ATOM 0 HG23 THR A 29 -7.680 -7.597 -1.518 1.00 22.24 H new ATOM 462 N CYS A 30 -5.421 -5.883 -2.220 1.00 71.42 N ATOM 463 CA CYS A 30 -4.834 -6.035 -3.532 1.00 42.32 C ATOM 464 C CYS A 30 -4.425 -4.723 -4.119 1.00 41.13 C ATOM 465 O CYS A 30 -5.041 -4.235 -5.062 1.00 0.42 O ATOM 466 CB CYS A 30 -5.801 -6.774 -4.490 1.00 63.21 C ATOM 467 SG CYS A 30 -6.095 -8.539 -4.197 1.00 61.32 S ATOM 0 H CYS A 30 -5.895 -4.996 -2.051 1.00 71.42 H new ATOM 0 HA CYS A 30 -3.934 -6.637 -3.409 1.00 42.32 H new ATOM 0 HB2 CYS A 30 -6.763 -6.264 -4.454 1.00 63.21 H new ATOM 0 HB3 CYS A 30 -5.418 -6.662 -5.504 1.00 63.21 H new ATOM 0 HG CYS A 30 -5.632 -8.868 -3.028 1.00 61.32 H new ATOM 473 N TYR A 31 -3.359 -4.166 -3.560 1.00 34.34 N ATOM 474 CA TYR A 31 -2.865 -2.926 -4.091 1.00 13.43 C ATOM 475 C TYR A 31 -2.031 -3.210 -5.325 1.00 73.31 C ATOM 476 O TYR A 31 -1.011 -3.905 -5.282 1.00 75.23 O ATOM 477 CB TYR A 31 -2.053 -2.069 -3.115 1.00 72.20 C ATOM 478 CG TYR A 31 -2.742 -1.419 -1.927 1.00 23.22 C ATOM 479 CD1 TYR A 31 -3.583 -0.348 -2.182 1.00 73.31 C ATOM 480 CD2 TYR A 31 -2.519 -1.803 -0.597 1.00 61.13 C ATOM 481 CE1 TYR A 31 -4.235 0.360 -1.164 1.00 1.22 C ATOM 482 CE2 TYR A 31 -3.111 -1.074 0.468 1.00 33.13 C ATOM 483 CZ TYR A 31 -3.996 -0.004 0.175 1.00 75.12 C ATOM 484 OH TYR A 31 -4.704 0.612 1.152 1.00 24.32 O ATOM 0 H TYR A 31 -2.842 -4.545 -2.767 1.00 34.34 H new ATOM 0 HA TYR A 31 -3.751 -2.335 -4.323 1.00 13.43 H new ATOM 0 HB2 TYR A 31 -1.251 -2.694 -2.723 1.00 72.20 H new ATOM 0 HB3 TYR A 31 -1.584 -1.274 -3.694 1.00 72.20 H new ATOM 0 HD1 TYR A 31 -3.742 -0.047 -3.207 1.00 73.31 H new ATOM 0 HD2 TYR A 31 -1.894 -2.657 -0.382 1.00 61.13 H new ATOM 0 HE1 TYR A 31 -4.909 1.170 -1.402 1.00 1.22 H new ATOM 0 HE2 TYR A 31 -2.889 -1.332 1.493 1.00 33.13 H new ATOM 0 HH TYR A 31 -5.584 0.870 0.805 1.00 24.32 H new ATOM 494 N THR A 32 -2.417 -2.546 -6.399 1.00 55.20 N ATOM 495 CA THR A 32 -1.564 -2.263 -7.522 1.00 34.03 C ATOM 496 C THR A 32 -1.046 -0.840 -7.328 1.00 2.41 C ATOM 497 O THR A 32 -1.842 0.097 -7.415 1.00 20.02 O ATOM 498 CB THR A 32 -2.367 -2.422 -8.825 1.00 2.21 C ATOM 499 OG1 THR A 32 -3.316 -3.471 -8.734 1.00 14.44 O ATOM 500 CG2 THR A 32 -1.345 -2.754 -9.903 1.00 35.02 C ATOM 0 H THR A 32 -3.363 -2.181 -6.510 1.00 55.20 H new ATOM 0 HA THR A 32 -0.721 -2.950 -7.588 1.00 34.03 H new ATOM 0 HB THR A 32 -2.925 -1.511 -9.041 1.00 2.21 H new ATOM 0 HG1 THR A 32 -4.074 -3.180 -8.185 1.00 14.44 H new ATOM 0 HG21 THR A 32 -1.853 -2.880 -10.859 1.00 35.02 H new ATOM 0 HG22 THR A 32 -0.622 -1.942 -9.981 1.00 35.02 H new ATOM 0 HG23 THR A 32 -0.828 -3.677 -9.642 1.00 35.02 H new ATOM 508 N PHE A 33 0.248 -0.650 -7.042 1.00 44.53 N ATOM 509 CA PHE A 33 0.864 0.663 -7.245 1.00 54.53 C ATOM 510 C PHE A 33 1.361 0.684 -8.693 1.00 40.52 C ATOM 511 O PHE A 33 1.772 -0.356 -9.201 1.00 31.45 O ATOM 512 CB PHE A 33 1.948 0.988 -6.197 1.00 55.32 C ATOM 513 CG PHE A 33 1.425 1.004 -4.770 1.00 34.02 C ATOM 514 CD1 PHE A 33 0.917 2.185 -4.197 1.00 33.14 C ATOM 515 CD2 PHE A 33 1.443 -0.183 -4.010 1.00 34.04 C ATOM 516 CE1 PHE A 33 0.439 2.173 -2.873 1.00 24.04 C ATOM 517 CE2 PHE A 33 0.961 -0.193 -2.689 1.00 21.44 C ATOM 518 CZ PHE A 33 0.453 0.987 -2.120 1.00 20.41 C ATOM 0 H PHE A 33 0.873 -1.369 -6.679 1.00 44.53 H new ATOM 0 HA PHE A 33 0.141 1.464 -7.093 1.00 54.53 H new ATOM 0 HB2 PHE A 33 2.749 0.253 -6.274 1.00 55.32 H new ATOM 0 HB3 PHE A 33 2.385 1.960 -6.427 1.00 55.32 H new ATOM 0 HD1 PHE A 33 0.894 3.099 -4.772 1.00 33.14 H new ATOM 0 HD2 PHE A 33 1.830 -1.092 -4.446 1.00 34.04 H new ATOM 0 HE1 PHE A 33 0.058 3.083 -2.433 1.00 24.04 H new ATOM 0 HE2 PHE A 33 0.981 -1.106 -2.113 1.00 21.44 H new ATOM 0 HZ PHE A 33 0.075 0.982 -1.108 1.00 20.41 H new ATOM 528 N ASN A 34 1.251 1.814 -9.402 1.00 71.11 N ATOM 529 CA ASN A 34 1.623 1.894 -10.821 1.00 41.54 C ATOM 530 C ASN A 34 2.972 2.590 -10.978 1.00 33.04 C ATOM 531 O ASN A 34 3.680 2.808 -9.996 1.00 41.41 O ATOM 532 CB ASN A 34 0.492 2.520 -11.663 1.00 63.11 C ATOM 533 CG ASN A 34 -0.523 1.488 -12.165 1.00 71.12 C ATOM 534 OD1 ASN A 34 -0.969 1.580 -13.305 1.00 55.21 O ATOM 535 ND2 ASN A 34 -0.907 0.494 -11.385 1.00 11.14 N ATOM 0 H ASN A 34 0.905 2.691 -9.013 1.00 71.11 H new ATOM 0 HA ASN A 34 1.751 0.886 -11.217 1.00 41.54 H new ATOM 0 HB2 ASN A 34 -0.026 3.270 -11.065 1.00 63.11 H new ATOM 0 HB3 ASN A 34 0.927 3.039 -12.517 1.00 63.11 H new ATOM 0 HD21 ASN A 34 -1.574 -0.197 -11.730 1.00 11.14 H new ATOM 0 HD22 ASN A 34 -0.537 0.417 -10.438 1.00 11.14 H new ATOM 542 N ALA A 35 3.357 2.866 -12.227 1.00 33.21 N ATOM 543 CA ALA A 35 4.600 3.521 -12.588 1.00 60.00 C ATOM 544 C ALA A 35 4.728 4.849 -11.846 1.00 33.15 C ATOM 545 O ALA A 35 5.745 5.107 -11.195 1.00 1.32 O ATOM 546 CB ALA A 35 4.609 3.745 -14.104 1.00 51.13 C ATOM 0 H ALA A 35 2.786 2.628 -13.038 1.00 33.21 H new ATOM 0 HA ALA A 35 5.448 2.897 -12.307 1.00 60.00 H new ATOM 0 HB1 ALA A 35 5.537 4.237 -14.394 1.00 51.13 H new ATOM 0 HB2 ALA A 35 4.533 2.785 -14.614 1.00 51.13 H new ATOM 0 HB3 ALA A 35 3.763 4.373 -14.384 1.00 51.13 H new ATOM 552 N ASP A 36 3.679 5.666 -11.960 1.00 23.44 N ATOM 553 CA ASP A 36 3.636 7.068 -11.541 1.00 21.01 C ATOM 554 C ASP A 36 2.215 7.666 -11.564 1.00 24.31 C ATOM 555 O ASP A 36 2.060 8.865 -11.331 1.00 24.34 O ATOM 556 CB ASP A 36 4.587 7.911 -12.409 1.00 34.25 C ATOM 557 CG ASP A 36 4.123 8.111 -13.851 1.00 34.22 C ATOM 558 OD1 ASP A 36 3.886 7.105 -14.562 1.00 43.10 O ATOM 559 OD2 ASP A 36 4.069 9.280 -14.291 1.00 22.02 O ATOM 0 H ASP A 36 2.797 5.354 -12.365 1.00 23.44 H new ATOM 0 HA ASP A 36 3.965 7.095 -10.502 1.00 21.01 H new ATOM 0 HB2 ASP A 36 4.713 8.888 -11.943 1.00 34.25 H new ATOM 0 HB3 ASP A 36 5.567 7.434 -12.419 1.00 34.25 H new ATOM 564 N LYS A 37 1.159 6.890 -11.867 1.00 33.14 N ATOM 565 CA LYS A 37 -0.117 7.437 -12.311 1.00 15.31 C ATOM 566 C LYS A 37 -1.272 7.133 -11.356 1.00 61.32 C ATOM 567 O LYS A 37 -1.637 7.987 -10.556 1.00 51.51 O ATOM 568 CB LYS A 37 -0.338 6.966 -13.759 1.00 71.33 C ATOM 569 CG LYS A 37 -1.548 7.565 -14.483 1.00 21.43 C ATOM 570 CD LYS A 37 -1.629 9.081 -14.293 1.00 62.20 C ATOM 571 CE LYS A 37 -2.671 9.679 -15.232 1.00 54.01 C ATOM 572 NZ LYS A 37 -2.856 11.122 -15.003 1.00 32.14 N ATOM 0 H LYS A 37 1.175 5.872 -11.808 1.00 33.14 H new ATOM 0 HA LYS A 37 -0.088 8.527 -12.296 1.00 15.31 H new ATOM 0 HB2 LYS A 37 0.557 7.198 -14.336 1.00 71.33 H new ATOM 0 HB3 LYS A 37 -0.442 5.881 -13.755 1.00 71.33 H new ATOM 0 HG2 LYS A 37 -1.486 7.335 -15.547 1.00 21.43 H new ATOM 0 HG3 LYS A 37 -2.461 7.102 -14.109 1.00 21.43 H new ATOM 0 HD2 LYS A 37 -1.887 9.311 -13.259 1.00 62.20 H new ATOM 0 HD3 LYS A 37 -0.655 9.531 -14.486 1.00 62.20 H new ATOM 0 HE2 LYS A 37 -2.366 9.512 -16.265 1.00 54.01 H new ATOM 0 HE3 LYS A 37 -3.622 9.165 -15.093 1.00 54.01 H new ATOM 0 HZ1 LYS A 37 -3.572 11.489 -15.662 1.00 32.14 H new ATOM 0 HZ2 LYS A 37 -3.171 11.281 -14.025 1.00 32.14 H new ATOM 0 HZ3 LYS A 37 -1.955 11.617 -15.161 1.00 32.14 H new ATOM 586 N THR A 38 -1.889 5.958 -11.441 1.00 74.31 N ATOM 587 CA THR A 38 -3.165 5.670 -10.793 1.00 63.01 C ATOM 588 C THR A 38 -3.054 4.269 -10.202 1.00 62.43 C ATOM 589 O THR A 38 -2.595 3.347 -10.879 1.00 13.43 O ATOM 590 CB THR A 38 -4.329 5.845 -11.795 1.00 22.45 C ATOM 591 OG1 THR A 38 -4.025 5.241 -13.034 1.00 14.12 O ATOM 592 CG2 THR A 38 -4.617 7.323 -12.074 1.00 3.12 C ATOM 0 H THR A 38 -1.513 5.170 -11.968 1.00 74.31 H new ATOM 0 HA THR A 38 -3.387 6.368 -9.985 1.00 63.01 H new ATOM 0 HB THR A 38 -5.198 5.373 -11.336 1.00 22.45 H new ATOM 0 HG1 THR A 38 -4.777 5.363 -13.651 1.00 14.12 H new ATOM 0 HG21 THR A 38 -5.441 7.406 -12.783 1.00 3.12 H new ATOM 0 HG22 THR A 38 -4.887 7.823 -11.144 1.00 3.12 H new ATOM 0 HG23 THR A 38 -3.728 7.794 -12.495 1.00 3.12 H new ATOM 600 N TYR A 39 -3.369 4.132 -8.915 1.00 72.11 N ATOM 601 CA TYR A 39 -3.336 2.858 -8.196 1.00 2.14 C ATOM 602 C TYR A 39 -4.698 2.183 -8.355 1.00 74.13 C ATOM 603 O TYR A 39 -5.665 2.866 -8.697 1.00 22.11 O ATOM 604 CB TYR A 39 -3.011 3.099 -6.712 1.00 15.33 C ATOM 605 CG TYR A 39 -4.202 3.446 -5.854 1.00 15.32 C ATOM 606 CD1 TYR A 39 -4.804 4.690 -6.058 1.00 20.21 C ATOM 607 CD2 TYR A 39 -4.690 2.591 -4.845 1.00 15.11 C ATOM 608 CE1 TYR A 39 -5.869 5.087 -5.252 1.00 1.24 C ATOM 609 CE2 TYR A 39 -5.727 3.025 -4.002 1.00 24.23 C ATOM 610 CZ TYR A 39 -6.328 4.277 -4.209 1.00 12.11 C ATOM 611 OH TYR A 39 -7.306 4.743 -3.401 1.00 43.40 O ATOM 0 H TYR A 39 -3.660 4.917 -8.332 1.00 72.11 H new ATOM 0 HA TYR A 39 -2.560 2.211 -8.604 1.00 2.14 H new ATOM 0 HB2 TYR A 39 -2.538 2.204 -6.308 1.00 15.33 H new ATOM 0 HB3 TYR A 39 -2.281 3.906 -6.640 1.00 15.33 H new ATOM 0 HD1 TYR A 39 -4.444 5.343 -6.839 1.00 20.21 H new ATOM 0 HD2 TYR A 39 -4.268 1.605 -4.720 1.00 15.11 H new ATOM 0 HE1 TYR A 39 -6.348 6.037 -5.436 1.00 1.24 H new ATOM 0 HE2 TYR A 39 -6.063 2.394 -3.193 1.00 24.23 H new ATOM 0 HH TYR A 39 -7.577 4.039 -2.776 1.00 43.40 H new ATOM 621 N GLU A 40 -4.798 0.889 -8.054 1.00 21.15 N ATOM 622 CA GLU A 40 -5.985 0.064 -8.292 1.00 43.42 C ATOM 623 C GLU A 40 -6.028 -1.003 -7.201 1.00 40.30 C ATOM 624 O GLU A 40 -5.007 -1.647 -6.956 1.00 21.14 O ATOM 625 CB GLU A 40 -5.904 -0.590 -9.684 1.00 23.15 C ATOM 626 CG GLU A 40 -6.450 0.319 -10.803 1.00 61.42 C ATOM 627 CD GLU A 40 -7.853 -0.010 -11.334 1.00 14.21 C ATOM 628 OE1 GLU A 40 -8.358 -1.148 -11.152 1.00 4.35 O ATOM 629 OE2 GLU A 40 -8.439 0.915 -11.947 1.00 72.20 O ATOM 0 H GLU A 40 -4.033 0.369 -7.625 1.00 21.15 H new ATOM 0 HA GLU A 40 -6.890 0.671 -8.263 1.00 43.42 H new ATOM 0 HB2 GLU A 40 -4.866 -0.843 -9.902 1.00 23.15 H new ATOM 0 HB3 GLU A 40 -6.465 -1.524 -9.675 1.00 23.15 H new ATOM 0 HG2 GLU A 40 -6.457 1.345 -10.435 1.00 61.42 H new ATOM 0 HG3 GLU A 40 -5.753 0.285 -11.640 1.00 61.42 H new ATOM 636 N VAL A 41 -7.150 -1.133 -6.491 1.00 11.22 N ATOM 637 CA VAL A 41 -7.314 -2.006 -5.320 1.00 72.11 C ATOM 638 C VAL A 41 -8.779 -2.391 -5.207 1.00 72.01 C ATOM 639 O VAL A 41 -9.567 -2.247 -6.143 1.00 55.11 O ATOM 640 CB VAL A 41 -6.718 -1.427 -3.977 1.00 15.43 C ATOM 641 CG1 VAL A 41 -6.312 -2.397 -2.817 1.00 71.24 C ATOM 642 CG2 VAL A 41 -5.908 -0.182 -4.247 1.00 72.01 C ATOM 0 H VAL A 41 -8.000 -0.618 -6.720 1.00 11.22 H new ATOM 0 HA VAL A 41 -6.713 -2.900 -5.482 1.00 72.11 H new ATOM 0 HB VAL A 41 -7.573 -1.097 -3.388 1.00 15.43 H new ATOM 0 HG11 VAL A 41 -5.924 -1.819 -1.978 1.00 71.24 H new ATOM 0 HG12 VAL A 41 -7.185 -2.963 -2.494 1.00 71.24 H new ATOM 0 HG13 VAL A 41 -5.544 -3.085 -3.170 1.00 71.24 H new ATOM 0 HG21 VAL A 41 -5.506 0.201 -3.309 1.00 72.01 H new ATOM 0 HG22 VAL A 41 -5.087 -0.422 -4.923 1.00 72.01 H new ATOM 0 HG23 VAL A 41 -6.545 0.575 -4.705 1.00 72.01 H new ATOM 652 N TYR A 42 -9.126 -2.902 -4.042 1.00 20.14 N ATOM 653 CA TYR A 42 -10.416 -3.405 -3.667 1.00 23.03 C ATOM 654 C TYR A 42 -10.454 -3.362 -2.135 1.00 60.02 C ATOM 655 O TYR A 42 -9.405 -3.515 -1.500 1.00 74.30 O ATOM 656 CB TYR A 42 -10.501 -4.807 -4.264 1.00 31.22 C ATOM 657 CG TYR A 42 -11.514 -5.693 -3.612 1.00 55.13 C ATOM 658 CD1 TYR A 42 -12.865 -5.527 -3.950 1.00 42.53 C ATOM 659 CD2 TYR A 42 -11.102 -6.683 -2.701 1.00 74.40 C ATOM 660 CE1 TYR A 42 -13.814 -6.407 -3.425 1.00 71.04 C ATOM 661 CE2 TYR A 42 -12.055 -7.593 -2.204 1.00 54.33 C ATOM 662 CZ TYR A 42 -13.414 -7.472 -2.593 1.00 24.01 C ATOM 663 OH TYR A 42 -14.357 -8.390 -2.258 1.00 11.43 O ATOM 0 H TYR A 42 -8.454 -2.978 -3.279 1.00 20.14 H new ATOM 0 HA TYR A 42 -11.274 -2.839 -4.030 1.00 23.03 H new ATOM 0 HB2 TYR A 42 -10.737 -4.724 -5.325 1.00 31.22 H new ATOM 0 HB3 TYR A 42 -9.522 -5.280 -4.192 1.00 31.22 H new ATOM 0 HD1 TYR A 42 -13.168 -4.727 -4.609 1.00 42.53 H new ATOM 0 HD2 TYR A 42 -10.070 -6.744 -2.388 1.00 74.40 H new ATOM 0 HE1 TYR A 42 -14.860 -6.271 -3.658 1.00 71.04 H new ATOM 0 HE2 TYR A 42 -11.752 -8.380 -1.529 1.00 54.33 H new ATOM 0 HH TYR A 42 -15.116 -7.939 -1.834 1.00 11.43 H new ATOM 673 N THR A 43 -11.630 -3.088 -1.564 1.00 64.11 N ATOM 674 CA THR A 43 -11.840 -2.813 -0.146 1.00 35.11 C ATOM 675 C THR A 43 -13.305 -3.132 0.171 1.00 42.50 C ATOM 676 O THR A 43 -14.185 -2.612 -0.525 1.00 53.53 O ATOM 677 CB THR A 43 -11.578 -1.316 0.165 1.00 43.41 C ATOM 678 OG1 THR A 43 -10.309 -0.880 -0.292 1.00 75.23 O ATOM 679 CG2 THR A 43 -11.690 -0.990 1.653 1.00 23.02 C ATOM 0 H THR A 43 -12.496 -3.051 -2.102 1.00 64.11 H new ATOM 0 HA THR A 43 -11.157 -3.416 0.453 1.00 35.11 H new ATOM 0 HB THR A 43 -12.361 -0.784 -0.376 1.00 43.41 H new ATOM 0 HG1 THR A 43 -10.191 0.068 -0.075 1.00 75.23 H new ATOM 0 HG21 THR A 43 -11.496 0.071 1.809 1.00 23.02 H new ATOM 0 HG22 THR A 43 -12.693 -1.231 2.004 1.00 23.02 H new ATOM 0 HG23 THR A 43 -10.960 -1.577 2.210 1.00 23.02 H new ATOM 687 N GLY A 44 -13.584 -3.892 1.233 1.00 44.41 N ATOM 688 CA GLY A 44 -14.954 -4.207 1.608 1.00 73.11 C ATOM 689 C GLY A 44 -15.551 -5.115 0.540 1.00 33.43 C ATOM 690 O GLY A 44 -14.824 -5.905 -0.056 1.00 13.12 O ATOM 0 H GLY A 44 -12.876 -4.298 1.845 1.00 44.41 H new ATOM 0 HA2 GLY A 44 -14.977 -4.700 2.580 1.00 73.11 H new ATOM 0 HA3 GLY A 44 -15.541 -3.293 1.700 1.00 73.11 H new ATOM 694 N SER A 45 -16.851 -4.976 0.259 1.00 35.23 N ATOM 695 CA SER A 45 -17.583 -5.901 -0.602 1.00 24.05 C ATOM 696 C SER A 45 -17.511 -7.350 -0.068 1.00 74.32 C ATOM 697 O SER A 45 -17.117 -8.240 -0.824 1.00 0.55 O ATOM 698 CB SER A 45 -17.097 -5.688 -2.055 1.00 21.21 C ATOM 699 OG SER A 45 -17.501 -6.713 -2.943 1.00 33.55 O ATOM 0 H SER A 45 -17.424 -4.215 0.625 1.00 35.23 H new ATOM 0 HA SER A 45 -18.653 -5.695 -0.597 1.00 24.05 H new ATOM 0 HB2 SER A 45 -17.475 -4.733 -2.420 1.00 21.21 H new ATOM 0 HB3 SER A 45 -16.009 -5.623 -2.060 1.00 21.21 H new ATOM 0 HG SER A 45 -17.385 -7.585 -2.511 1.00 33.55 H new ATOM 705 N PRO A 46 -18.027 -7.649 1.145 1.00 60.20 N ATOM 706 CA PRO A 46 -18.095 -9.016 1.679 1.00 21.03 C ATOM 707 C PRO A 46 -18.935 -10.022 0.865 1.00 54.24 C ATOM 708 O PRO A 46 -19.125 -11.147 1.319 1.00 14.34 O ATOM 709 CB PRO A 46 -18.673 -8.887 3.094 1.00 20.41 C ATOM 710 CG PRO A 46 -18.448 -7.429 3.466 1.00 32.23 C ATOM 711 CD PRO A 46 -18.593 -6.726 2.125 1.00 42.33 C ATOM 0 HA PRO A 46 -17.089 -9.433 1.643 1.00 21.03 H new ATOM 0 HB2 PRO A 46 -19.732 -9.143 3.115 1.00 20.41 H new ATOM 0 HB3 PRO A 46 -18.169 -9.557 3.791 1.00 20.41 H new ATOM 0 HG2 PRO A 46 -19.181 -7.077 4.191 1.00 32.23 H new ATOM 0 HG3 PRO A 46 -17.463 -7.269 3.905 1.00 32.23 H new ATOM 0 HD2 PRO A 46 -19.638 -6.510 1.905 1.00 42.33 H new ATOM 0 HD3 PRO A 46 -18.063 -5.773 2.121 1.00 42.33 H new ATOM 719 N LEU A 47 -19.497 -9.622 -0.285 1.00 14.23 N ATOM 720 CA LEU A 47 -20.005 -10.533 -1.304 1.00 43.41 C ATOM 721 C LEU A 47 -18.796 -10.975 -2.135 1.00 42.43 C ATOM 722 O LEU A 47 -18.203 -12.025 -1.883 1.00 50.12 O ATOM 723 CB LEU A 47 -21.081 -9.846 -2.194 1.00 43.14 C ATOM 724 CG LEU A 47 -22.555 -10.154 -1.880 1.00 73.24 C ATOM 725 CD1 LEU A 47 -23.435 -9.421 -2.903 1.00 74.53 C ATOM 726 CD2 LEU A 47 -22.887 -11.645 -1.995 1.00 54.21 C ATOM 0 H LEU A 47 -19.610 -8.639 -0.531 1.00 14.23 H new ATOM 0 HA LEU A 47 -20.497 -11.391 -0.846 1.00 43.41 H new ATOM 0 HB2 LEU A 47 -20.939 -8.768 -2.124 1.00 43.14 H new ATOM 0 HB3 LEU A 47 -20.891 -10.126 -3.230 1.00 43.14 H new ATOM 0 HG LEU A 47 -22.738 -9.833 -0.854 1.00 73.24 H new ATOM 0 HD11 LEU A 47 -24.485 -9.629 -2.695 1.00 74.53 H new ATOM 0 HD12 LEU A 47 -23.257 -8.348 -2.834 1.00 74.53 H new ATOM 0 HD13 LEU A 47 -23.189 -9.766 -3.907 1.00 74.53 H new ATOM 0 HD21 LEU A 47 -23.940 -11.802 -1.762 1.00 54.21 H new ATOM 0 HD22 LEU A 47 -22.685 -11.985 -3.011 1.00 54.21 H new ATOM 0 HD23 LEU A 47 -22.272 -12.210 -1.294 1.00 54.21 H new ATOM 738 N SER A 48 -18.432 -10.171 -3.138 1.00 12.34 N ATOM 739 CA SER A 48 -17.472 -10.537 -4.158 1.00 11.01 C ATOM 740 C SER A 48 -17.233 -9.352 -5.084 1.00 44.31 C ATOM 741 O SER A 48 -18.128 -8.984 -5.848 1.00 31.12 O ATOM 742 CB SER A 48 -17.940 -11.754 -4.975 1.00 34.11 C ATOM 743 OG SER A 48 -19.348 -11.933 -5.079 1.00 45.03 O ATOM 0 H SER A 48 -18.810 -9.231 -3.257 1.00 12.34 H new ATOM 0 HA SER A 48 -16.543 -10.812 -3.660 1.00 11.01 H new ATOM 0 HB2 SER A 48 -17.529 -11.670 -5.981 1.00 34.11 H new ATOM 0 HB3 SER A 48 -17.512 -12.652 -4.529 1.00 34.11 H new ATOM 0 HG SER A 48 -19.538 -12.730 -5.617 1.00 45.03 H new ATOM 749 N ASN A 49 -16.027 -8.778 -5.028 1.00 41.24 N ATOM 750 CA ASN A 49 -15.413 -7.926 -6.059 1.00 0.05 C ATOM 751 C ASN A 49 -16.320 -6.829 -6.636 1.00 11.43 C ATOM 752 O ASN A 49 -16.258 -6.454 -7.809 1.00 74.13 O ATOM 753 CB ASN A 49 -14.777 -8.786 -7.141 1.00 4.34 C ATOM 754 CG ASN A 49 -13.780 -9.790 -6.565 1.00 44.32 C ATOM 755 OD1 ASN A 49 -14.083 -10.978 -6.475 1.00 21.21 O ATOM 756 ND2 ASN A 49 -12.639 -9.338 -6.060 1.00 74.12 N ATOM 0 H ASN A 49 -15.417 -8.900 -4.219 1.00 41.24 H new ATOM 0 HA ASN A 49 -14.635 -7.358 -5.549 1.00 0.05 H new ATOM 0 HB2 ASN A 49 -15.557 -9.321 -7.684 1.00 4.34 H new ATOM 0 HB3 ASN A 49 -14.270 -8.145 -7.862 1.00 4.34 H new ATOM 0 HD21 ASN A 49 -12.000 -9.979 -5.590 1.00 74.12 H new ATOM 0 HD22 ASN A 49 -12.401 -8.350 -6.142 1.00 74.12 H new ATOM 763 N GLY A 50 -17.174 -6.304 -5.776 1.00 0.34 N ATOM 764 CA GLY A 50 -18.264 -5.391 -6.081 1.00 40.20 C ATOM 765 C GLY A 50 -17.805 -3.943 -6.082 1.00 53.10 C ATOM 766 O GLY A 50 -18.220 -3.166 -6.944 1.00 12.14 O ATOM 0 H GLY A 50 -17.122 -6.517 -4.780 1.00 0.34 H new ATOM 0 HA2 GLY A 50 -18.684 -5.640 -7.056 1.00 40.20 H new ATOM 0 HA3 GLY A 50 -19.061 -5.519 -5.348 1.00 40.20 H new ATOM 770 N VAL A 51 -16.918 -3.585 -5.156 1.00 55.13 N ATOM 771 CA VAL A 51 -16.437 -2.219 -4.969 1.00 33.25 C ATOM 772 C VAL A 51 -14.912 -2.195 -5.034 1.00 60.41 C ATOM 773 O VAL A 51 -14.243 -2.343 -4.007 1.00 20.21 O ATOM 774 CB VAL A 51 -17.033 -1.572 -3.706 1.00 60.44 C ATOM 775 CG1 VAL A 51 -16.497 -0.147 -3.503 1.00 72.52 C ATOM 776 CG2 VAL A 51 -18.553 -1.476 -3.859 1.00 13.42 C ATOM 0 H VAL A 51 -16.506 -4.250 -4.502 1.00 55.13 H new ATOM 0 HA VAL A 51 -16.792 -1.591 -5.786 1.00 33.25 H new ATOM 0 HB VAL A 51 -16.755 -2.190 -2.852 1.00 60.44 H new ATOM 0 HG11 VAL A 51 -16.937 0.282 -2.603 1.00 72.52 H new ATOM 0 HG12 VAL A 51 -15.413 -0.178 -3.398 1.00 72.52 H new ATOM 0 HG13 VAL A 51 -16.761 0.467 -4.364 1.00 72.52 H new ATOM 0 HG21 VAL A 51 -18.980 -1.018 -2.967 1.00 13.42 H new ATOM 0 HG22 VAL A 51 -18.793 -0.866 -4.730 1.00 13.42 H new ATOM 0 HG23 VAL A 51 -18.969 -2.475 -3.989 1.00 13.42 H new ATOM 786 N PRO A 52 -14.336 -2.089 -6.239 1.00 12.23 N ATOM 787 CA PRO A 52 -12.928 -1.802 -6.400 1.00 44.43 C ATOM 788 C PRO A 52 -12.592 -0.332 -6.086 1.00 63.53 C ATOM 789 O PRO A 52 -13.423 0.591 -6.102 1.00 63.51 O ATOM 790 CB PRO A 52 -12.597 -2.201 -7.837 1.00 3.24 C ATOM 791 CG PRO A 52 -13.914 -1.969 -8.576 1.00 40.00 C ATOM 792 CD PRO A 52 -14.980 -2.280 -7.528 1.00 24.23 C ATOM 0 HA PRO A 52 -12.318 -2.362 -5.692 1.00 44.43 H new ATOM 0 HB2 PRO A 52 -11.792 -1.592 -8.249 1.00 3.24 H new ATOM 0 HB3 PRO A 52 -12.276 -3.241 -7.903 1.00 3.24 H new ATOM 0 HG2 PRO A 52 -13.995 -0.944 -8.937 1.00 40.00 H new ATOM 0 HG3 PRO A 52 -14.005 -2.621 -9.445 1.00 40.00 H new ATOM 0 HD2 PRO A 52 -15.840 -1.619 -7.637 1.00 24.23 H new ATOM 0 HD3 PRO A 52 -15.347 -3.301 -7.634 1.00 24.23 H new ATOM 800 N PHE A 53 -11.308 -0.129 -5.836 1.00 64.13 N ATOM 801 CA PHE A 53 -10.641 1.108 -5.507 1.00 23.11 C ATOM 802 C PHE A 53 -9.742 1.482 -6.680 1.00 31.25 C ATOM 803 O PHE A 53 -9.152 0.606 -7.305 1.00 20.22 O ATOM 804 CB PHE A 53 -9.839 0.900 -4.205 1.00 73.24 C ATOM 805 CG PHE A 53 -10.126 1.931 -3.141 1.00 13.41 C ATOM 806 CD1 PHE A 53 -11.442 2.321 -2.832 1.00 32.22 C ATOM 807 CD2 PHE A 53 -9.062 2.555 -2.483 1.00 51.54 C ATOM 808 CE1 PHE A 53 -11.679 3.365 -1.930 1.00 40.32 C ATOM 809 CE2 PHE A 53 -9.294 3.605 -1.595 1.00 24.22 C ATOM 810 CZ PHE A 53 -10.606 4.012 -1.313 1.00 51.22 C ATOM 0 H PHE A 53 -10.648 -0.906 -5.863 1.00 64.13 H new ATOM 0 HA PHE A 53 -11.347 1.922 -5.339 1.00 23.11 H new ATOM 0 HB2 PHE A 53 -10.061 -0.090 -3.807 1.00 73.24 H new ATOM 0 HB3 PHE A 53 -8.774 0.919 -4.438 1.00 73.24 H new ATOM 0 HD1 PHE A 53 -12.275 1.812 -3.294 1.00 32.22 H new ATOM 0 HD2 PHE A 53 -8.051 2.221 -2.664 1.00 51.54 H new ATOM 0 HE1 PHE A 53 -12.692 3.670 -1.711 1.00 40.32 H new ATOM 0 HE2 PHE A 53 -8.461 4.106 -1.123 1.00 24.22 H new ATOM 0 HZ PHE A 53 -10.786 4.822 -0.622 1.00 51.22 H new ATOM 820 N ARG A 54 -9.627 2.773 -6.980 1.00 61.04 N ATOM 821 CA ARG A 54 -8.734 3.355 -7.963 1.00 3.12 C ATOM 822 C ARG A 54 -8.827 4.866 -7.859 1.00 40.52 C ATOM 823 O ARG A 54 -9.919 5.438 -7.899 1.00 32.34 O ATOM 824 CB ARG A 54 -9.001 2.863 -9.394 1.00 71.23 C ATOM 825 CG ARG A 54 -10.472 2.724 -9.823 1.00 73.24 C ATOM 826 CD ARG A 54 -10.811 3.610 -11.019 1.00 55.23 C ATOM 827 NE ARG A 54 -12.208 3.424 -11.428 1.00 60.50 N ATOM 828 CZ ARG A 54 -12.926 4.248 -12.193 1.00 44.42 C ATOM 829 NH1 ARG A 54 -12.355 5.316 -12.755 1.00 22.44 N ATOM 830 NH2 ARG A 54 -14.216 3.993 -12.393 1.00 53.23 N ATOM 0 H ARG A 54 -10.193 3.480 -6.511 1.00 61.04 H new ATOM 0 HA ARG A 54 -7.718 3.028 -7.742 1.00 3.12 H new ATOM 0 HB2 ARG A 54 -8.510 3.549 -10.085 1.00 71.23 H new ATOM 0 HB3 ARG A 54 -8.520 1.892 -9.513 1.00 71.23 H new ATOM 0 HG2 ARG A 54 -10.679 1.684 -10.074 1.00 73.24 H new ATOM 0 HG3 ARG A 54 -11.119 2.984 -8.985 1.00 73.24 H new ATOM 0 HD2 ARG A 54 -10.639 4.655 -10.763 1.00 55.23 H new ATOM 0 HD3 ARG A 54 -10.149 3.373 -11.852 1.00 55.23 H new ATOM 0 HE ARG A 54 -12.676 2.581 -11.094 1.00 60.50 H new ATOM 0 HH11 ARG A 54 -11.365 5.505 -12.600 1.00 22.44 H new ATOM 0 HH12 ARG A 54 -12.909 5.942 -13.339 1.00 22.44 H new ATOM 0 HH21 ARG A 54 -14.647 3.174 -11.963 1.00 53.23 H new ATOM 0 HH22 ARG A 54 -14.775 4.616 -12.976 1.00 53.23 H new ATOM 844 N GLY A 55 -7.675 5.501 -7.713 1.00 22.34 N ATOM 845 CA GLY A 55 -7.461 6.915 -7.446 1.00 11.32 C ATOM 846 C GLY A 55 -6.022 7.231 -7.879 1.00 61.13 C ATOM 847 O GLY A 55 -5.480 6.573 -8.772 1.00 34.02 O ATOM 0 H GLY A 55 -6.791 4.998 -7.784 1.00 22.34 H new ATOM 0 HA2 GLY A 55 -8.175 7.526 -7.999 1.00 11.32 H new ATOM 0 HA3 GLY A 55 -7.604 7.136 -6.388 1.00 11.32 H new ATOM 851 N THR A 56 -5.345 8.142 -7.188 1.00 55.24 N ATOM 852 CA THR A 56 -3.980 8.599 -7.447 1.00 55.11 C ATOM 853 C THR A 56 -3.186 8.469 -6.153 1.00 31.34 C ATOM 854 O THR A 56 -3.588 9.006 -5.123 1.00 24.32 O ATOM 855 CB THR A 56 -3.997 10.061 -7.911 1.00 41.53 C ATOM 856 OG1 THR A 56 -5.006 10.808 -7.247 1.00 1.12 O ATOM 857 CG2 THR A 56 -4.282 10.157 -9.410 1.00 13.21 C ATOM 0 H THR A 56 -5.758 8.611 -6.382 1.00 55.24 H new ATOM 0 HA THR A 56 -3.521 7.997 -8.231 1.00 55.11 H new ATOM 0 HB THR A 56 -3.012 10.466 -7.677 1.00 41.53 H new ATOM 0 HG1 THR A 56 -4.989 11.735 -7.564 1.00 1.12 H new ATOM 0 HG21 THR A 56 -4.288 11.204 -9.713 1.00 13.21 H new ATOM 0 HG22 THR A 56 -3.508 9.624 -9.962 1.00 13.21 H new ATOM 0 HG23 THR A 56 -5.253 9.711 -9.625 1.00 13.21 H new ATOM 865 N TYR A 57 -2.163 7.624 -6.130 1.00 3.41 N ATOM 866 CA TYR A 57 -1.181 7.531 -5.065 1.00 34.34 C ATOM 867 C TYR A 57 -0.107 8.599 -5.308 1.00 60.00 C ATOM 868 O TYR A 57 0.084 9.052 -6.436 1.00 14.54 O ATOM 869 CB TYR A 57 -0.614 6.097 -5.056 1.00 3.53 C ATOM 870 CG TYR A 57 0.413 5.817 -6.117 1.00 73.02 C ATOM 871 CD1 TYR A 57 0.020 5.547 -7.443 1.00 52.53 C ATOM 872 CD2 TYR A 57 1.773 5.904 -5.770 1.00 0.21 C ATOM 873 CE1 TYR A 57 0.996 5.396 -8.437 1.00 21.33 C ATOM 874 CE2 TYR A 57 2.749 5.745 -6.757 1.00 53.32 C ATOM 875 CZ TYR A 57 2.357 5.503 -8.084 1.00 20.21 C ATOM 876 OH TYR A 57 3.306 5.378 -9.026 1.00 12.42 O ATOM 0 H TYR A 57 -1.991 6.960 -6.884 1.00 3.41 H new ATOM 0 HA TYR A 57 -1.615 7.719 -4.083 1.00 34.34 H new ATOM 0 HB2 TYR A 57 -0.169 5.904 -4.080 1.00 3.53 H new ATOM 0 HB3 TYR A 57 -1.439 5.395 -5.175 1.00 3.53 H new ATOM 0 HD1 TYR A 57 -1.027 5.457 -7.692 1.00 52.53 H new ATOM 0 HD2 TYR A 57 2.061 6.093 -4.746 1.00 0.21 H new ATOM 0 HE1 TYR A 57 0.710 5.200 -9.460 1.00 21.33 H new ATOM 0 HE2 TYR A 57 3.797 5.808 -6.502 1.00 53.32 H new ATOM 0 HH TYR A 57 3.378 4.438 -9.295 1.00 12.42 H new ATOM 886 N ILE A 58 0.604 8.984 -4.253 1.00 52.41 N ATOM 887 CA ILE A 58 1.699 9.957 -4.281 1.00 20.21 C ATOM 888 C ILE A 58 2.791 9.370 -3.380 1.00 12.24 C ATOM 889 O ILE A 58 2.446 8.745 -2.375 1.00 22.03 O ATOM 890 CB ILE A 58 1.209 11.352 -3.789 1.00 52.51 C ATOM 891 CG1 ILE A 58 -0.072 11.818 -4.532 1.00 31.21 C ATOM 892 CG2 ILE A 58 2.332 12.401 -3.927 1.00 55.13 C ATOM 893 CD1 ILE A 58 -0.580 13.220 -4.169 1.00 1.51 C ATOM 0 H ILE A 58 0.429 8.615 -3.318 1.00 52.41 H new ATOM 0 HA ILE A 58 2.080 10.123 -5.289 1.00 20.21 H new ATOM 0 HB ILE A 58 0.950 11.251 -2.735 1.00 52.51 H new ATOM 0 HG12 ILE A 58 0.121 11.788 -5.604 1.00 31.21 H new ATOM 0 HG13 ILE A 58 -0.867 11.100 -4.331 1.00 31.21 H new ATOM 0 HG21 ILE A 58 1.971 13.369 -3.579 1.00 55.13 H new ATOM 0 HG22 ILE A 58 3.190 12.097 -3.328 1.00 55.13 H new ATOM 0 HG23 ILE A 58 2.630 12.480 -4.973 1.00 55.13 H new ATOM 0 HD11 ILE A 58 -1.478 13.442 -4.746 1.00 1.51 H new ATOM 0 HD12 ILE A 58 -0.814 13.258 -3.105 1.00 1.51 H new ATOM 0 HD13 ILE A 58 0.190 13.957 -4.398 1.00 1.51 H new ATOM 905 N ILE A 59 4.075 9.565 -3.707 1.00 74.11 N ATOM 906 CA ILE A 59 5.220 9.215 -2.861 1.00 35.44 C ATOM 907 C ILE A 59 6.102 10.468 -2.706 1.00 53.11 C ATOM 908 O ILE A 59 5.823 11.532 -3.276 1.00 23.40 O ATOM 909 CB ILE A 59 6.023 7.991 -3.405 1.00 13.35 C ATOM 910 CG1 ILE A 59 5.158 6.851 -3.994 1.00 11.43 C ATOM 911 CG2 ILE A 59 6.924 7.424 -2.278 1.00 14.54 C ATOM 912 CD1 ILE A 59 5.938 5.793 -4.796 1.00 2.51 C ATOM 0 H ILE A 59 4.353 9.983 -4.595 1.00 74.11 H new ATOM 0 HA ILE A 59 4.858 8.897 -1.884 1.00 35.44 H new ATOM 0 HB ILE A 59 6.613 8.373 -4.238 1.00 13.35 H new ATOM 0 HG12 ILE A 59 4.634 6.354 -3.178 1.00 11.43 H new ATOM 0 HG13 ILE A 59 4.398 7.289 -4.641 1.00 11.43 H new ATOM 0 HG21 ILE A 59 7.485 6.569 -2.656 1.00 14.54 H new ATOM 0 HG22 ILE A 59 7.618 8.195 -1.944 1.00 14.54 H new ATOM 0 HG23 ILE A 59 6.303 7.108 -1.440 1.00 14.54 H new ATOM 0 HD11 ILE A 59 5.247 5.036 -5.168 1.00 2.51 H new ATOM 0 HD12 ILE A 59 6.440 6.271 -5.637 1.00 2.51 H new ATOM 0 HD13 ILE A 59 6.680 5.322 -4.151 1.00 2.51 H new ATOM 924 N SER A 60 7.163 10.371 -1.907 1.00 35.43 N ATOM 925 CA SER A 60 8.123 11.420 -1.633 1.00 3.14 C ATOM 926 C SER A 60 9.405 10.789 -1.063 1.00 54.35 C ATOM 927 O SER A 60 9.384 9.647 -0.600 1.00 74.33 O ATOM 928 CB SER A 60 7.432 12.391 -0.672 1.00 73.12 C ATOM 929 OG SER A 60 6.861 13.448 -1.427 1.00 43.34 O ATOM 0 H SER A 60 7.381 9.508 -1.410 1.00 35.43 H new ATOM 0 HA SER A 60 8.432 11.970 -2.522 1.00 3.14 H new ATOM 0 HB2 SER A 60 6.660 11.874 -0.102 1.00 73.12 H new ATOM 0 HB3 SER A 60 8.149 12.785 0.048 1.00 73.12 H new ATOM 0 HG SER A 60 6.392 13.079 -2.204 1.00 43.34 H new ATOM 935 N LEU A 61 10.529 11.505 -1.163 1.00 0.13 N ATOM 936 CA LEU A 61 11.879 11.066 -0.795 1.00 4.34 C ATOM 937 C LEU A 61 12.570 12.086 0.125 1.00 32.24 C ATOM 938 O LEU A 61 13.620 11.779 0.685 1.00 43.14 O ATOM 939 CB LEU A 61 12.749 10.826 -2.053 1.00 12.52 C ATOM 940 CG LEU A 61 12.669 9.404 -2.646 1.00 63.13 C ATOM 941 CD1 LEU A 61 11.371 9.142 -3.421 1.00 33.31 C ATOM 942 CD2 LEU A 61 13.851 9.161 -3.593 1.00 31.02 C ATOM 0 H LEU A 61 10.521 12.459 -1.523 1.00 0.13 H new ATOM 0 HA LEU A 61 11.773 10.126 -0.254 1.00 4.34 H new ATOM 0 HB2 LEU A 61 12.453 11.540 -2.822 1.00 12.52 H new ATOM 0 HB3 LEU A 61 13.788 11.040 -1.803 1.00 12.52 H new ATOM 0 HG LEU A 61 12.696 8.722 -1.796 1.00 63.13 H new ATOM 0 HD11 LEU A 61 11.379 8.124 -3.811 1.00 33.31 H new ATOM 0 HD12 LEU A 61 10.518 9.268 -2.755 1.00 33.31 H new ATOM 0 HD13 LEU A 61 11.293 9.847 -4.248 1.00 33.31 H new ATOM 0 HD21 LEU A 61 13.785 8.155 -4.006 1.00 31.02 H new ATOM 0 HD22 LEU A 61 13.823 9.889 -4.404 1.00 31.02 H new ATOM 0 HD23 LEU A 61 14.786 9.267 -3.043 1.00 31.02 H new ATOM 954 N ASP A 62 12.018 13.289 0.310 1.00 63.32 N ATOM 955 CA ASP A 62 12.480 14.265 1.303 1.00 63.15 C ATOM 956 C ASP A 62 12.160 13.769 2.718 1.00 23.43 C ATOM 957 O ASP A 62 13.056 13.378 3.469 1.00 62.12 O ATOM 958 CB ASP A 62 11.821 15.623 1.021 1.00 11.34 C ATOM 959 CG ASP A 62 12.023 16.631 2.155 1.00 51.54 C ATOM 960 OD1 ASP A 62 13.190 16.975 2.462 1.00 32.30 O ATOM 961 OD2 ASP A 62 11.014 17.108 2.723 1.00 20.21 O ATOM 0 H ASP A 62 11.222 13.618 -0.236 1.00 63.32 H new ATOM 0 HA ASP A 62 13.561 14.384 1.232 1.00 63.15 H new ATOM 0 HB2 ASP A 62 12.230 16.035 0.099 1.00 11.34 H new ATOM 0 HB3 ASP A 62 10.753 15.476 0.858 1.00 11.34 H new ATOM 966 N GLU A 63 10.875 13.748 3.065 1.00 2.23 N ATOM 967 CA GLU A 63 10.332 13.469 4.395 1.00 63.12 C ATOM 968 C GLU A 63 8.971 12.805 4.224 1.00 64.15 C ATOM 969 O GLU A 63 8.756 11.713 4.745 1.00 60.04 O ATOM 970 CB GLU A 63 10.237 14.784 5.193 1.00 2.42 C ATOM 971 CG GLU A 63 9.184 14.822 6.314 1.00 63.35 C ATOM 972 CD GLU A 63 9.272 13.692 7.337 1.00 71.23 C ATOM 973 OE1 GLU A 63 10.397 13.313 7.720 1.00 24.12 O ATOM 974 OE2 GLU A 63 8.192 13.213 7.759 1.00 44.43 O ATOM 0 H GLU A 63 10.139 13.937 2.384 1.00 2.23 H new ATOM 0 HA GLU A 63 10.980 12.794 4.954 1.00 63.12 H new ATOM 0 HB2 GLU A 63 11.213 14.990 5.632 1.00 2.42 H new ATOM 0 HB3 GLU A 63 10.024 15.594 4.495 1.00 2.42 H new ATOM 0 HG2 GLU A 63 9.273 15.773 6.840 1.00 63.35 H new ATOM 0 HG3 GLU A 63 8.194 14.801 5.859 1.00 63.35 H new ATOM 981 N LYS A 64 8.065 13.445 3.468 1.00 60.05 N ATOM 982 CA LYS A 64 6.771 12.874 3.151 1.00 20.22 C ATOM 983 C LYS A 64 6.972 11.550 2.422 1.00 43.13 C ATOM 984 O LYS A 64 8.064 11.210 1.957 1.00 51.21 O ATOM 985 CB LYS A 64 5.904 13.854 2.336 1.00 62.25 C ATOM 986 CG LYS A 64 5.027 14.773 3.197 1.00 55.33 C ATOM 987 CD LYS A 64 5.763 15.944 3.845 1.00 62.33 C ATOM 988 CE LYS A 64 4.749 16.821 4.585 1.00 73.32 C ATOM 989 NZ LYS A 64 5.399 17.916 5.332 1.00 1.21 N ATOM 0 H LYS A 64 8.220 14.370 3.066 1.00 60.05 H new ATOM 0 HA LYS A 64 6.228 12.684 4.077 1.00 20.22 H new ATOM 0 HB2 LYS A 64 6.555 14.468 1.713 1.00 62.25 H new ATOM 0 HB3 LYS A 64 5.264 13.284 1.663 1.00 62.25 H new ATOM 0 HG2 LYS A 64 4.222 15.167 2.577 1.00 55.33 H new ATOM 0 HG3 LYS A 64 4.562 14.176 3.982 1.00 55.33 H new ATOM 0 HD2 LYS A 64 6.520 15.576 4.538 1.00 62.33 H new ATOM 0 HD3 LYS A 64 6.283 16.528 3.086 1.00 62.33 H new ATOM 0 HE2 LYS A 64 4.043 17.241 3.868 1.00 73.32 H new ATOM 0 HE3 LYS A 64 4.173 16.204 5.275 1.00 73.32 H new ATOM 0 HZ1 LYS A 64 4.675 18.483 5.817 1.00 1.21 H new ATOM 0 HZ2 LYS A 64 6.053 17.516 6.035 1.00 1.21 H new ATOM 0 HZ3 LYS A 64 5.927 18.521 4.671 1.00 1.21 H new ATOM 1003 N LEU A 65 5.877 10.819 2.301 1.00 52.43 N ATOM 1004 CA LEU A 65 5.902 9.392 2.054 1.00 22.14 C ATOM 1005 C LEU A 65 4.714 8.918 1.229 1.00 4.51 C ATOM 1006 O LEU A 65 4.006 9.740 0.641 1.00 3.31 O ATOM 1007 CB LEU A 65 6.073 8.673 3.394 1.00 33.33 C ATOM 1008 CG LEU A 65 4.949 8.792 4.457 1.00 1.53 C ATOM 1009 CD1 LEU A 65 5.224 9.903 5.459 1.00 14.43 C ATOM 1010 CD2 LEU A 65 3.526 9.060 3.953 1.00 33.41 C ATOM 0 H LEU A 65 4.936 11.206 2.373 1.00 52.43 H new ATOM 0 HA LEU A 65 6.756 9.138 1.426 1.00 22.14 H new ATOM 0 HB2 LEU A 65 6.217 7.613 3.183 1.00 33.33 H new ATOM 0 HB3 LEU A 65 6.995 9.036 3.847 1.00 33.33 H new ATOM 0 HG LEU A 65 4.977 7.790 4.886 1.00 1.53 H new ATOM 0 HD11 LEU A 65 4.411 9.949 6.184 1.00 14.43 H new ATOM 0 HD12 LEU A 65 6.161 9.701 5.978 1.00 14.43 H new ATOM 0 HD13 LEU A 65 5.297 10.856 4.935 1.00 14.43 H new ATOM 0 HD21 LEU A 65 2.845 9.119 4.802 1.00 33.41 H new ATOM 0 HD22 LEU A 65 3.506 10.002 3.405 1.00 33.41 H new ATOM 0 HD23 LEU A 65 3.215 8.250 3.294 1.00 33.41 H new ATOM 1022 N ILE A 66 4.507 7.605 1.137 1.00 4.52 N ATOM 1023 CA ILE A 66 3.507 7.043 0.255 1.00 61.03 C ATOM 1024 C ILE A 66 2.074 7.141 0.841 1.00 2.23 C ATOM 1025 O ILE A 66 1.741 6.496 1.841 1.00 63.34 O ATOM 1026 CB ILE A 66 3.972 5.663 -0.264 1.00 31.42 C ATOM 1027 CG1 ILE A 66 2.921 5.260 -1.300 1.00 34.03 C ATOM 1028 CG2 ILE A 66 4.222 4.613 0.832 1.00 0.23 C ATOM 1029 CD1 ILE A 66 3.153 4.082 -2.242 1.00 21.04 C ATOM 0 H ILE A 66 5.029 6.911 1.672 1.00 4.52 H new ATOM 0 HA ILE A 66 3.413 7.652 -0.644 1.00 61.03 H new ATOM 0 HB ILE A 66 4.964 5.727 -0.710 1.00 31.42 H new ATOM 0 HG12 ILE A 66 1.999 5.056 -0.756 1.00 34.03 H new ATOM 0 HG13 ILE A 66 2.736 6.135 -1.923 1.00 34.03 H new ATOM 0 HG21 ILE A 66 4.544 3.678 0.374 1.00 0.23 H new ATOM 0 HG22 ILE A 66 4.997 4.971 1.509 1.00 0.23 H new ATOM 0 HG23 ILE A 66 3.302 4.444 1.391 1.00 0.23 H new ATOM 0 HD11 ILE A 66 2.289 3.964 -2.896 1.00 21.04 H new ATOM 0 HD12 ILE A 66 4.042 4.268 -2.845 1.00 21.04 H new ATOM 0 HD13 ILE A 66 3.293 3.172 -1.659 1.00 21.04 H new ATOM 1041 N LYS A 67 1.206 7.946 0.208 1.00 15.45 N ATOM 1042 CA LYS A 67 -0.180 8.227 0.624 1.00 74.12 C ATOM 1043 C LYS A 67 -1.204 7.872 -0.451 1.00 61.03 C ATOM 1044 O LYS A 67 -1.018 8.263 -1.614 1.00 23.44 O ATOM 1045 CB LYS A 67 -0.332 9.716 0.910 1.00 20.22 C ATOM 1046 CG LYS A 67 -0.117 10.113 2.362 1.00 0.43 C ATOM 1047 CD LYS A 67 -1.017 11.284 2.802 1.00 20.43 C ATOM 1048 CE LYS A 67 -0.217 12.368 3.519 1.00 3.20 C ATOM 1049 NZ LYS A 67 -0.985 13.626 3.613 1.00 32.03 N ATOM 0 H LYS A 67 1.461 8.442 -0.646 1.00 15.45 H new ATOM 0 HA LYS A 67 -0.367 7.615 1.506 1.00 74.12 H new ATOM 0 HB2 LYS A 67 0.377 10.265 0.290 1.00 20.22 H new ATOM 0 HB3 LYS A 67 -1.331 10.030 0.607 1.00 20.22 H new ATOM 0 HG2 LYS A 67 -0.311 9.252 3.002 1.00 0.43 H new ATOM 0 HG3 LYS A 67 0.927 10.389 2.507 1.00 0.43 H new ATOM 0 HD2 LYS A 67 -1.511 11.712 1.930 1.00 20.43 H new ATOM 0 HD3 LYS A 67 -1.801 10.913 3.462 1.00 20.43 H new ATOM 0 HE2 LYS A 67 0.049 12.026 4.519 1.00 3.20 H new ATOM 0 HE3 LYS A 67 0.716 12.548 2.985 1.00 3.20 H new ATOM 0 HZ1 LYS A 67 -0.416 14.344 4.105 1.00 32.03 H new ATOM 0 HZ2 LYS A 67 -1.217 13.963 2.657 1.00 32.03 H new ATOM 0 HZ3 LYS A 67 -1.864 13.458 4.143 1.00 32.03 H new ATOM 1063 N LEU A 68 -2.245 7.106 -0.110 1.00 43.13 N ATOM 1064 CA LEU A 68 -3.286 6.686 -1.045 1.00 71.21 C ATOM 1065 C LEU A 68 -4.475 7.659 -0.947 1.00 42.41 C ATOM 1066 O LEU A 68 -4.986 7.874 0.156 1.00 73.11 O ATOM 1067 CB LEU A 68 -3.795 5.272 -0.679 1.00 71.31 C ATOM 1068 CG LEU A 68 -2.978 4.027 -1.025 1.00 35.21 C ATOM 1069 CD1 LEU A 68 -2.613 4.010 -2.502 1.00 31.05 C ATOM 1070 CD2 LEU A 68 -1.801 3.781 -0.098 1.00 52.54 C ATOM 0 H LEU A 68 -2.388 6.757 0.838 1.00 43.13 H new ATOM 0 HA LEU A 68 -2.869 6.680 -2.052 1.00 71.21 H new ATOM 0 HB2 LEU A 68 -3.955 5.259 0.399 1.00 71.31 H new ATOM 0 HB3 LEU A 68 -4.772 5.153 -1.148 1.00 71.31 H new ATOM 0 HG LEU A 68 -3.623 3.167 -0.845 1.00 35.21 H new ATOM 0 HD11 LEU A 68 -2.032 3.115 -2.723 1.00 31.05 H new ATOM 0 HD12 LEU A 68 -3.523 4.009 -3.102 1.00 31.05 H new ATOM 0 HD13 LEU A 68 -2.022 4.894 -2.741 1.00 31.05 H new ATOM 0 HD21 LEU A 68 -1.274 2.880 -0.411 1.00 52.54 H new ATOM 0 HD22 LEU A 68 -1.121 4.632 -0.139 1.00 52.54 H new ATOM 0 HD23 LEU A 68 -2.162 3.654 0.923 1.00 52.54 H new ATOM 1082 N TYR A 69 -4.896 8.289 -2.051 1.00 23.35 N ATOM 1083 CA TYR A 69 -6.105 9.117 -2.139 1.00 40.23 C ATOM 1084 C TYR A 69 -7.245 8.325 -2.786 1.00 1.32 C ATOM 1085 O TYR A 69 -6.987 7.402 -3.561 1.00 74.30 O ATOM 1086 CB TYR A 69 -5.861 10.385 -2.984 1.00 32.13 C ATOM 1087 CG TYR A 69 -4.910 11.405 -2.391 1.00 2.50 C ATOM 1088 CD1 TYR A 69 -3.523 11.168 -2.386 1.00 53.32 C ATOM 1089 CD2 TYR A 69 -5.416 12.596 -1.837 1.00 34.11 C ATOM 1090 CE1 TYR A 69 -2.653 12.077 -1.764 1.00 1.14 C ATOM 1091 CE2 TYR A 69 -4.553 13.523 -1.227 1.00 32.00 C ATOM 1092 CZ TYR A 69 -3.162 13.272 -1.200 1.00 74.13 C ATOM 1093 OH TYR A 69 -2.325 14.173 -0.618 1.00 64.05 O ATOM 0 H TYR A 69 -4.389 8.235 -2.934 1.00 23.35 H new ATOM 0 HA TYR A 69 -6.370 9.407 -1.122 1.00 40.23 H new ATOM 0 HB2 TYR A 69 -5.475 10.081 -3.957 1.00 32.13 H new ATOM 0 HB3 TYR A 69 -6.821 10.871 -3.159 1.00 32.13 H new ATOM 0 HD1 TYR A 69 -3.126 10.284 -2.862 1.00 53.32 H new ATOM 0 HD2 TYR A 69 -6.476 12.799 -1.881 1.00 34.11 H new ATOM 0 HE1 TYR A 69 -1.595 11.865 -1.716 1.00 1.14 H new ATOM 0 HE2 TYR A 69 -4.951 14.423 -0.781 1.00 32.00 H new ATOM 0 HH TYR A 69 -2.844 14.934 -0.285 1.00 64.05 H new ATOM 1103 N ASP A 70 -8.496 8.743 -2.578 1.00 71.02 N ATOM 1104 CA ASP A 70 -9.680 8.059 -3.124 1.00 15.24 C ATOM 1105 C ASP A 70 -10.358 8.924 -4.183 1.00 75.24 C ATOM 1106 O ASP A 70 -9.820 9.953 -4.598 1.00 52.14 O ATOM 1107 CB ASP A 70 -10.710 7.657 -2.041 1.00 14.52 C ATOM 1108 CG ASP A 70 -10.176 7.130 -0.717 1.00 60.20 C ATOM 1109 OD1 ASP A 70 -9.051 6.586 -0.702 1.00 12.31 O ATOM 1110 OD2 ASP A 70 -10.967 7.170 0.253 1.00 72.20 O ATOM 0 H ASP A 70 -8.721 9.569 -2.024 1.00 71.02 H new ATOM 0 HA ASP A 70 -9.315 7.136 -3.575 1.00 15.24 H new ATOM 0 HB2 ASP A 70 -11.331 8.527 -1.829 1.00 14.52 H new ATOM 0 HB3 ASP A 70 -11.363 6.895 -2.466 1.00 14.52 H new ATOM 1115 N LYS A 71 -11.537 8.504 -4.662 1.00 53.31 N ATOM 1116 CA LYS A 71 -12.247 9.189 -5.749 1.00 72.20 C ATOM 1117 C LYS A 71 -12.651 10.618 -5.362 1.00 62.33 C ATOM 1118 O LYS A 71 -12.674 11.487 -6.233 1.00 43.05 O ATOM 1119 CB LYS A 71 -13.479 8.395 -6.231 1.00 23.25 C ATOM 1120 CG LYS A 71 -13.224 6.923 -6.608 1.00 15.02 C ATOM 1121 CD LYS A 71 -13.327 5.924 -5.440 1.00 63.43 C ATOM 1122 CE LYS A 71 -13.195 4.507 -6.005 1.00 20.54 C ATOM 1123 NZ LYS A 71 -13.497 3.463 -5.007 1.00 34.21 N ATOM 0 H LYS A 71 -12.024 7.681 -4.307 1.00 53.31 H new ATOM 0 HA LYS A 71 -11.542 9.250 -6.578 1.00 72.20 H new ATOM 0 HB2 LYS A 71 -14.235 8.423 -5.447 1.00 23.25 H new ATOM 0 HB3 LYS A 71 -13.899 8.905 -7.098 1.00 23.25 H new ATOM 0 HG2 LYS A 71 -13.938 6.632 -7.379 1.00 15.02 H new ATOM 0 HG3 LYS A 71 -12.230 6.843 -7.048 1.00 15.02 H new ATOM 0 HD2 LYS A 71 -12.543 6.115 -4.707 1.00 63.43 H new ATOM 0 HD3 LYS A 71 -14.280 6.040 -4.925 1.00 63.43 H new ATOM 0 HE2 LYS A 71 -13.868 4.396 -6.855 1.00 20.54 H new ATOM 0 HE3 LYS A 71 -12.181 4.363 -6.379 1.00 20.54 H new ATOM 0 HZ1 LYS A 71 -13.609 2.547 -5.486 1.00 34.21 H new ATOM 0 HZ2 LYS A 71 -12.717 3.402 -4.321 1.00 34.21 H new ATOM 0 HZ3 LYS A 71 -14.378 3.703 -4.509 1.00 34.21 H new ATOM 1137 N GLU A 72 -12.916 10.859 -4.075 1.00 51.54 N ATOM 1138 CA GLU A 72 -13.149 12.181 -3.485 1.00 4.24 C ATOM 1139 C GLU A 72 -11.892 13.080 -3.514 1.00 21.11 C ATOM 1140 O GLU A 72 -12.016 14.268 -3.234 1.00 34.14 O ATOM 1141 CB GLU A 72 -13.612 12.002 -2.023 1.00 61.12 C ATOM 1142 CG GLU A 72 -15.096 11.660 -1.813 1.00 72.45 C ATOM 1143 CD GLU A 72 -16.061 12.821 -2.079 1.00 51.31 C ATOM 1144 OE1 GLU A 72 -15.916 13.890 -1.450 1.00 14.51 O ATOM 1145 OE2 GLU A 72 -17.036 12.649 -2.845 1.00 13.33 O ATOM 0 H GLU A 72 -12.977 10.108 -3.387 1.00 51.54 H new ATOM 0 HA GLU A 72 -13.914 12.677 -4.083 1.00 4.24 H new ATOM 0 HB2 GLU A 72 -13.012 11.213 -1.569 1.00 61.12 H new ATOM 0 HB3 GLU A 72 -13.393 12.922 -1.480 1.00 61.12 H new ATOM 0 HG2 GLU A 72 -15.360 10.828 -2.466 1.00 72.45 H new ATOM 0 HG3 GLU A 72 -15.235 11.317 -0.788 1.00 72.45 H new ATOM 1152 N GLU A 73 -10.697 12.562 -3.847 1.00 52.12 N ATOM 1153 CA GLU A 73 -9.430 13.300 -3.895 1.00 73.21 C ATOM 1154 C GLU A 73 -9.100 13.840 -2.490 1.00 55.15 C ATOM 1155 O GLU A 73 -8.851 15.026 -2.297 1.00 12.23 O ATOM 1156 CB GLU A 73 -9.480 14.333 -5.050 1.00 72.11 C ATOM 1157 CG GLU A 73 -8.167 14.629 -5.805 1.00 22.32 C ATOM 1158 CD GLU A 73 -7.154 15.533 -5.098 1.00 34.40 C ATOM 1159 OE1 GLU A 73 -7.578 16.551 -4.493 1.00 72.31 O ATOM 1160 OE2 GLU A 73 -5.936 15.268 -5.240 1.00 34.40 O ATOM 0 H GLU A 73 -10.587 11.580 -4.099 1.00 52.12 H new ATOM 0 HA GLU A 73 -8.582 12.661 -4.143 1.00 73.21 H new ATOM 0 HB2 GLU A 73 -10.215 13.987 -5.777 1.00 72.11 H new ATOM 0 HB3 GLU A 73 -9.852 15.273 -4.643 1.00 72.11 H new ATOM 0 HG2 GLU A 73 -7.680 13.679 -6.025 1.00 22.32 H new ATOM 0 HG3 GLU A 73 -8.421 15.086 -6.762 1.00 22.32 H new ATOM 1167 N HIS A 74 -9.130 12.961 -1.485 1.00 0.53 N ATOM 1168 CA HIS A 74 -8.739 13.228 -0.100 1.00 12.52 C ATOM 1169 C HIS A 74 -7.882 12.047 0.378 1.00 44.35 C ATOM 1170 O HIS A 74 -7.919 10.991 -0.266 1.00 41.43 O ATOM 1171 CB HIS A 74 -9.996 13.430 0.764 1.00 51.45 C ATOM 1172 CG HIS A 74 -10.649 12.141 1.201 1.00 72.05 C ATOM 1173 ND1 HIS A 74 -11.289 11.246 0.376 1.00 23.00 N ATOM 1174 CD2 HIS A 74 -10.621 11.596 2.458 1.00 4.51 C ATOM 1175 CE1 HIS A 74 -11.623 10.175 1.112 1.00 2.31 C ATOM 1176 NE2 HIS A 74 -11.270 10.361 2.397 1.00 75.14 N ATOM 0 H HIS A 74 -9.442 12.000 -1.622 1.00 0.53 H new ATOM 0 HA HIS A 74 -8.152 14.143 -0.018 1.00 12.52 H new ATOM 0 HB2 HIS A 74 -9.729 14.009 1.648 1.00 51.45 H new ATOM 0 HB3 HIS A 74 -10.720 14.021 0.203 1.00 51.45 H new ATOM 0 HD2 HIS A 74 -10.177 12.041 3.336 1.00 4.51 H new ATOM 0 HE1 HIS A 74 -12.107 9.289 0.727 1.00 2.31 H new ATOM 0 HE2 HIS A 74 -11.443 9.724 3.175 1.00 75.14 H new ATOM 1184 N CYS A 75 -7.109 12.213 1.457 1.00 71.35 N ATOM 1185 CA CYS A 75 -6.140 11.228 1.929 1.00 44.54 C ATOM 1186 C CYS A 75 -6.668 10.433 3.126 1.00 12.34 C ATOM 1187 O CYS A 75 -6.858 11.027 4.190 1.00 4.31 O ATOM 1188 CB CYS A 75 -4.798 11.932 2.238 1.00 31.34 C ATOM 1189 SG CYS A 75 -4.865 13.329 3.400 1.00 54.13 S ATOM 0 H CYS A 75 -7.143 13.053 2.035 1.00 71.35 H new ATOM 0 HA CYS A 75 -5.971 10.496 1.139 1.00 44.54 H new ATOM 0 HB2 CYS A 75 -4.107 11.189 2.636 1.00 31.34 H new ATOM 0 HB3 CYS A 75 -4.376 12.289 1.299 1.00 31.34 H new ATOM 0 HG CYS A 75 -5.709 13.062 4.352 1.00 54.13 H new ATOM 1195 N THR A 76 -6.857 9.111 3.016 1.00 40.43 N ATOM 1196 CA THR A 76 -7.419 8.341 4.134 1.00 75.13 C ATOM 1197 C THR A 76 -6.291 8.125 5.162 1.00 74.32 C ATOM 1198 O THR A 76 -6.367 8.554 6.313 1.00 64.41 O ATOM 1199 CB THR A 76 -8.106 7.017 3.678 1.00 32.03 C ATOM 1200 OG1 THR A 76 -7.310 5.849 3.775 1.00 54.23 O ATOM 1201 CG2 THR A 76 -8.523 7.038 2.202 1.00 33.25 C ATOM 0 H THR A 76 -6.635 8.563 2.185 1.00 40.43 H new ATOM 0 HA THR A 76 -8.230 8.901 4.599 1.00 75.13 H new ATOM 0 HB THR A 76 -8.947 6.973 4.370 1.00 32.03 H new ATOM 0 HG1 THR A 76 -7.827 5.075 3.469 1.00 54.23 H new ATOM 0 HG21 THR A 76 -8.995 6.090 1.944 1.00 33.25 H new ATOM 0 HG22 THR A 76 -9.228 7.852 2.035 1.00 33.25 H new ATOM 0 HG23 THR A 76 -7.642 7.187 1.577 1.00 33.25 H new ATOM 1209 N GLU A 77 -5.198 7.511 4.701 1.00 35.33 N ATOM 1210 CA GLU A 77 -4.079 6.993 5.478 1.00 22.14 C ATOM 1211 C GLU A 77 -2.763 7.413 4.814 1.00 22.43 C ATOM 1212 O GLU A 77 -2.777 8.073 3.769 1.00 24.34 O ATOM 1213 CB GLU A 77 -4.159 5.453 5.551 1.00 12.41 C ATOM 1214 CG GLU A 77 -5.197 4.897 6.526 1.00 71.14 C ATOM 1215 CD GLU A 77 -4.747 3.504 6.965 1.00 40.31 C ATOM 1216 OE1 GLU A 77 -3.840 3.436 7.817 1.00 53.53 O ATOM 1217 OE2 GLU A 77 -5.152 2.494 6.343 1.00 31.33 O ATOM 0 H GLU A 77 -5.067 7.354 3.702 1.00 35.33 H new ATOM 0 HA GLU A 77 -4.122 7.398 6.489 1.00 22.14 H new ATOM 0 HB2 GLU A 77 -4.379 5.070 4.555 1.00 12.41 H new ATOM 0 HB3 GLU A 77 -3.179 5.068 5.831 1.00 12.41 H new ATOM 0 HG2 GLU A 77 -5.296 5.554 7.390 1.00 71.14 H new ATOM 0 HG3 GLU A 77 -6.176 4.847 6.050 1.00 71.14 H new ATOM 1224 N GLN A 78 -1.631 6.968 5.361 1.00 53.23 N ATOM 1225 CA GLN A 78 -0.287 7.116 4.826 1.00 72.21 C ATOM 1226 C GLN A 78 0.585 6.034 5.478 1.00 15.55 C ATOM 1227 O GLN A 78 0.182 5.503 6.514 1.00 13.44 O ATOM 1228 CB GLN A 78 0.174 8.524 5.232 1.00 12.34 C ATOM 1229 CG GLN A 78 0.694 8.730 6.658 1.00 44.50 C ATOM 1230 CD GLN A 78 0.731 10.221 6.977 1.00 40.13 C ATOM 1231 OE1 GLN A 78 1.696 10.921 6.693 1.00 64.44 O ATOM 1232 NE2 GLN A 78 -0.347 10.750 7.525 1.00 40.45 N ATOM 0 H GLN A 78 -1.635 6.463 6.247 1.00 53.23 H new ATOM 0 HA GLN A 78 -0.230 7.003 3.743 1.00 72.21 H new ATOM 0 HB2 GLN A 78 0.962 8.829 4.543 1.00 12.34 H new ATOM 0 HB3 GLN A 78 -0.663 9.205 5.081 1.00 12.34 H new ATOM 0 HG2 GLN A 78 0.051 8.211 7.369 1.00 44.50 H new ATOM 0 HG3 GLN A 78 1.691 8.301 6.758 1.00 44.50 H new ATOM 0 HE21 GLN A 78 -1.144 10.158 7.757 1.00 40.45 H new ATOM 0 HE22 GLN A 78 -0.383 11.751 7.716 1.00 40.45 H new ATOM 1241 N TYR A 79 1.762 5.722 4.923 1.00 41.52 N ATOM 1242 CA TYR A 79 2.720 4.804 5.545 1.00 34.41 C ATOM 1243 C TYR A 79 4.138 5.161 5.063 1.00 53.53 C ATOM 1244 O TYR A 79 4.293 5.659 3.943 1.00 62.02 O ATOM 1245 CB TYR A 79 2.382 3.341 5.187 1.00 72.14 C ATOM 1246 CG TYR A 79 0.904 2.968 5.107 1.00 2.42 C ATOM 1247 CD1 TYR A 79 0.218 3.189 3.901 1.00 51.12 C ATOM 1248 CD2 TYR A 79 0.203 2.451 6.217 1.00 74.31 C ATOM 1249 CE1 TYR A 79 -1.137 2.851 3.767 1.00 4.45 C ATOM 1250 CE2 TYR A 79 -1.175 2.155 6.109 1.00 64.22 C ATOM 1251 CZ TYR A 79 -1.846 2.351 4.878 1.00 34.44 C ATOM 1252 OH TYR A 79 -3.127 1.941 4.702 1.00 4.31 O ATOM 0 H TYR A 79 2.076 6.100 4.029 1.00 41.52 H new ATOM 0 HA TYR A 79 2.666 4.904 6.629 1.00 34.41 H new ATOM 0 HB2 TYR A 79 2.841 3.114 4.225 1.00 72.14 H new ATOM 0 HB3 TYR A 79 2.855 2.694 5.926 1.00 72.14 H new ATOM 0 HD1 TYR A 79 0.742 3.626 3.064 1.00 51.12 H new ATOM 0 HD2 TYR A 79 0.720 2.281 7.150 1.00 74.31 H new ATOM 0 HE1 TYR A 79 -1.635 2.973 2.816 1.00 4.45 H new ATOM 0 HE2 TYR A 79 -1.716 1.780 6.965 1.00 64.22 H new ATOM 0 HH TYR A 79 -3.559 1.833 5.575 1.00 4.31 H new ATOM 1262 N HIS A 80 5.175 4.904 5.867 1.00 4.15 N ATOM 1263 CA HIS A 80 6.583 5.015 5.467 1.00 3.41 C ATOM 1264 C HIS A 80 7.024 3.730 4.752 1.00 75.23 C ATOM 1265 O HIS A 80 6.287 2.744 4.691 1.00 51.41 O ATOM 1266 CB HIS A 80 7.501 5.338 6.674 1.00 20.21 C ATOM 1267 CG HIS A 80 7.999 6.771 6.721 1.00 75.12 C ATOM 1268 ND1 HIS A 80 8.576 7.483 5.684 1.00 14.13 N ATOM 1269 CD2 HIS A 80 8.049 7.570 7.835 1.00 15.42 C ATOM 1270 CE1 HIS A 80 8.938 8.686 6.166 1.00 52.24 C ATOM 1271 NE2 HIS A 80 8.628 8.790 7.468 1.00 52.23 N ATOM 0 H HIS A 80 5.057 4.606 6.835 1.00 4.15 H new ATOM 0 HA HIS A 80 6.678 5.850 4.773 1.00 3.41 H new ATOM 0 HB2 HIS A 80 6.958 5.125 7.595 1.00 20.21 H new ATOM 0 HB3 HIS A 80 8.361 4.669 6.650 1.00 20.21 H new ATOM 0 HD2 HIS A 80 7.702 7.304 8.823 1.00 15.42 H new ATOM 0 HE1 HIS A 80 9.413 9.462 5.585 1.00 52.24 H new ATOM 0 HE2 HIS A 80 8.784 9.598 8.070 1.00 52.23 H new ATOM 1279 N ILE A 81 8.252 3.719 4.228 1.00 1.34 N ATOM 1280 CA ILE A 81 8.828 2.644 3.428 1.00 21.22 C ATOM 1281 C ILE A 81 10.111 2.243 4.136 1.00 23.24 C ATOM 1282 O ILE A 81 11.151 2.869 3.933 1.00 3.52 O ATOM 1283 CB ILE A 81 9.072 3.127 1.977 1.00 52.52 C ATOM 1284 CG1 ILE A 81 7.730 3.593 1.369 1.00 23.02 C ATOM 1285 CG2 ILE A 81 9.788 2.083 1.088 1.00 11.53 C ATOM 1286 CD1 ILE A 81 7.802 3.927 -0.118 1.00 52.34 C ATOM 0 H ILE A 81 8.899 4.497 4.358 1.00 1.34 H new ATOM 0 HA ILE A 81 8.163 1.784 3.343 1.00 21.22 H new ATOM 0 HB ILE A 81 9.764 3.969 2.015 1.00 52.52 H new ATOM 0 HG12 ILE A 81 6.985 2.812 1.519 1.00 23.02 H new ATOM 0 HG13 ILE A 81 7.384 4.473 1.912 1.00 23.02 H new ATOM 0 HG21 ILE A 81 9.925 2.491 0.086 1.00 11.53 H new ATOM 0 HG22 ILE A 81 10.760 1.844 1.519 1.00 11.53 H new ATOM 0 HG23 ILE A 81 9.184 1.178 1.032 1.00 11.53 H new ATOM 0 HD11 ILE A 81 6.820 4.245 -0.467 1.00 52.34 H new ATOM 0 HD12 ILE A 81 8.521 4.730 -0.276 1.00 52.34 H new ATOM 0 HD13 ILE A 81 8.116 3.044 -0.674 1.00 52.34 H new ATOM 1298 N LEU A 82 10.033 1.212 4.979 1.00 12.53 N ATOM 1299 CA LEU A 82 11.231 0.719 5.639 1.00 34.33 C ATOM 1300 C LEU A 82 12.122 0.021 4.617 1.00 62.44 C ATOM 1301 O LEU A 82 13.316 0.291 4.610 1.00 74.20 O ATOM 1302 CB LEU A 82 10.895 -0.207 6.816 1.00 35.02 C ATOM 1303 CG LEU A 82 10.076 0.455 7.941 1.00 40.11 C ATOM 1304 CD1 LEU A 82 9.740 -0.613 8.989 1.00 1.52 C ATOM 1305 CD2 LEU A 82 10.819 1.615 8.612 1.00 54.20 C ATOM 0 H LEU A 82 9.173 0.716 5.214 1.00 12.53 H new ATOM 0 HA LEU A 82 11.770 1.568 6.059 1.00 34.33 H new ATOM 0 HB2 LEU A 82 10.340 -1.066 6.438 1.00 35.02 H new ATOM 0 HB3 LEU A 82 11.825 -0.588 7.238 1.00 35.02 H new ATOM 0 HG LEU A 82 9.172 0.873 7.498 1.00 40.11 H new ATOM 0 HD11 LEU A 82 9.160 -0.163 9.794 1.00 1.52 H new ATOM 0 HD12 LEU A 82 9.158 -1.409 8.524 1.00 1.52 H new ATOM 0 HD13 LEU A 82 10.663 -1.028 9.395 1.00 1.52 H new ATOM 0 HD21 LEU A 82 10.194 2.043 9.396 1.00 54.20 H new ATOM 0 HD22 LEU A 82 11.748 1.248 9.048 1.00 54.20 H new ATOM 0 HD23 LEU A 82 11.044 2.381 7.870 1.00 54.20 H new ATOM 1317 N LYS A 83 11.563 -0.846 3.756 1.00 72.23 N ATOM 1318 CA LYS A 83 12.279 -1.625 2.734 1.00 44.51 C ATOM 1319 C LYS A 83 11.387 -1.872 1.518 1.00 61.32 C ATOM 1320 O LYS A 83 10.163 -1.733 1.618 1.00 54.53 O ATOM 1321 CB LYS A 83 12.688 -2.995 3.306 1.00 63.01 C ATOM 1322 CG LYS A 83 13.789 -2.967 4.369 1.00 4.34 C ATOM 1323 CD LYS A 83 15.098 -2.286 3.946 1.00 71.41 C ATOM 1324 CE LYS A 83 15.750 -2.676 2.627 1.00 24.23 C ATOM 1325 NZ LYS A 83 16.987 -1.879 2.453 1.00 52.34 N ATOM 0 H LYS A 83 10.560 -1.030 3.754 1.00 72.23 H new ATOM 0 HA LYS A 83 13.159 -1.054 2.438 1.00 44.51 H new ATOM 0 HB2 LYS A 83 11.805 -3.467 3.736 1.00 63.01 H new ATOM 0 HB3 LYS A 83 13.019 -3.628 2.483 1.00 63.01 H new ATOM 0 HG2 LYS A 83 13.404 -2.458 5.253 1.00 4.34 H new ATOM 0 HG3 LYS A 83 14.012 -3.993 4.664 1.00 4.34 H new ATOM 0 HD2 LYS A 83 14.913 -1.212 3.915 1.00 71.41 H new ATOM 0 HD3 LYS A 83 15.828 -2.461 4.736 1.00 71.41 H new ATOM 0 HE2 LYS A 83 15.983 -3.741 2.621 1.00 24.23 H new ATOM 0 HE3 LYS A 83 15.065 -2.495 1.799 1.00 24.23 H new ATOM 0 HZ1 LYS A 83 16.915 -1.311 1.585 1.00 52.34 H new ATOM 0 HZ2 LYS A 83 17.111 -1.248 3.270 1.00 52.34 H new ATOM 0 HZ3 LYS A 83 17.804 -2.518 2.381 1.00 52.34 H new ATOM 1339 N LEU A 84 11.985 -2.304 0.395 1.00 40.11 N ATOM 1340 CA LEU A 84 11.268 -2.665 -0.827 1.00 11.15 C ATOM 1341 C LEU A 84 12.012 -3.761 -1.581 1.00 35.04 C ATOM 1342 O LEU A 84 13.077 -3.518 -2.139 1.00 15.43 O ATOM 1343 CB LEU A 84 11.119 -1.438 -1.741 1.00 42.33 C ATOM 1344 CG LEU A 84 9.878 -1.408 -2.654 1.00 74.03 C ATOM 1345 CD1 LEU A 84 9.028 -2.680 -2.731 1.00 61.44 C ATOM 1346 CD2 LEU A 84 8.967 -0.293 -2.157 1.00 61.20 C ATOM 0 H LEU A 84 12.996 -2.412 0.316 1.00 40.11 H new ATOM 0 HA LEU A 84 10.281 -3.030 -0.543 1.00 11.15 H new ATOM 0 HB2 LEU A 84 11.104 -0.546 -1.115 1.00 42.33 H new ATOM 0 HB3 LEU A 84 12.007 -1.371 -2.370 1.00 42.33 H new ATOM 0 HG LEU A 84 10.280 -1.272 -3.658 1.00 74.03 H new ATOM 0 HD11 LEU A 84 8.190 -2.517 -3.408 1.00 61.44 H new ATOM 0 HD12 LEU A 84 9.639 -3.504 -3.101 1.00 61.44 H new ATOM 0 HD13 LEU A 84 8.650 -2.926 -1.739 1.00 61.44 H new ATOM 0 HD21 LEU A 84 8.076 -0.244 -2.783 1.00 61.20 H new ATOM 0 HD22 LEU A 84 8.675 -0.494 -1.126 1.00 61.20 H new ATOM 0 HD23 LEU A 84 9.497 0.658 -2.205 1.00 61.20 H new ATOM 1358 N THR A 85 11.463 -4.965 -1.630 1.00 2.24 N ATOM 1359 CA THR A 85 12.164 -6.118 -2.192 1.00 2.24 C ATOM 1360 C THR A 85 11.274 -6.825 -3.217 1.00 32.04 C ATOM 1361 O THR A 85 10.099 -6.481 -3.375 1.00 53.44 O ATOM 1362 CB THR A 85 12.629 -7.045 -1.057 1.00 12.54 C ATOM 1363 OG1 THR A 85 11.561 -7.842 -0.650 1.00 23.14 O ATOM 1364 CG2 THR A 85 13.123 -6.351 0.211 1.00 24.25 C ATOM 0 H THR A 85 10.526 -5.174 -1.285 1.00 2.24 H new ATOM 0 HA THR A 85 13.057 -5.793 -2.725 1.00 2.24 H new ATOM 0 HB THR A 85 13.468 -7.591 -1.489 1.00 12.54 H new ATOM 0 HG1 THR A 85 10.979 -7.328 -0.052 1.00 23.14 H new ATOM 0 HG21 THR A 85 13.425 -7.101 0.942 1.00 24.25 H new ATOM 0 HG22 THR A 85 13.975 -5.716 -0.030 1.00 24.25 H new ATOM 0 HG23 THR A 85 12.322 -5.740 0.627 1.00 24.25 H new ATOM 1372 N SER A 86 11.804 -7.821 -3.929 1.00 31.21 N ATOM 1373 CA SER A 86 11.046 -8.539 -4.951 1.00 32.11 C ATOM 1374 C SER A 86 9.817 -9.259 -4.420 1.00 51.43 C ATOM 1375 O SER A 86 8.905 -9.476 -5.222 1.00 63.03 O ATOM 1376 CB SER A 86 11.956 -9.528 -5.705 1.00 44.50 C ATOM 1377 OG SER A 86 13.337 -9.188 -5.642 1.00 40.52 O ATOM 0 H SER A 86 12.763 -8.149 -3.814 1.00 31.21 H new ATOM 0 HA SER A 86 10.678 -7.775 -5.636 1.00 32.11 H new ATOM 0 HB2 SER A 86 11.816 -10.527 -5.291 1.00 44.50 H new ATOM 0 HB3 SER A 86 11.647 -9.570 -6.750 1.00 44.50 H new ATOM 0 HG SER A 86 13.860 -9.853 -6.136 1.00 40.52 H new ATOM 1383 N LYS A 87 9.764 -9.588 -3.123 1.00 44.21 N ATOM 1384 CA LYS A 87 8.624 -10.261 -2.510 1.00 42.23 C ATOM 1385 C LYS A 87 8.495 -9.987 -1.017 1.00 2.52 C ATOM 1386 O LYS A 87 7.818 -10.734 -0.320 1.00 34.45 O ATOM 1387 CB LYS A 87 8.618 -11.752 -2.885 1.00 50.42 C ATOM 1388 CG LYS A 87 9.858 -12.568 -2.490 1.00 65.43 C ATOM 1389 CD LYS A 87 9.733 -13.332 -1.166 1.00 14.22 C ATOM 1390 CE LYS A 87 10.345 -12.606 0.031 1.00 12.14 C ATOM 1391 NZ LYS A 87 10.840 -13.572 1.029 1.00 30.21 N ATOM 0 H LYS A 87 10.521 -9.390 -2.468 1.00 44.21 H new ATOM 0 HA LYS A 87 7.713 -9.829 -2.925 1.00 42.23 H new ATOM 0 HB2 LYS A 87 7.745 -12.215 -2.425 1.00 50.42 H new ATOM 0 HB3 LYS A 87 8.489 -11.831 -3.964 1.00 50.42 H new ATOM 0 HG2 LYS A 87 10.074 -13.281 -3.285 1.00 65.43 H new ATOM 0 HG3 LYS A 87 10.713 -11.895 -2.425 1.00 65.43 H new ATOM 0 HD2 LYS A 87 8.678 -13.518 -0.964 1.00 14.22 H new ATOM 0 HD3 LYS A 87 10.214 -14.304 -1.273 1.00 14.22 H new ATOM 0 HE2 LYS A 87 11.164 -11.969 -0.303 1.00 12.14 H new ATOM 0 HE3 LYS A 87 9.600 -11.954 0.487 1.00 12.14 H new ATOM 0 HZ1 LYS A 87 10.775 -13.154 1.979 1.00 30.21 H new ATOM 0 HZ2 LYS A 87 10.263 -14.437 0.991 1.00 30.21 H new ATOM 0 HZ3 LYS A 87 11.832 -13.808 0.822 1.00 30.21 H new ATOM 1405 N GLU A 88 8.998 -8.861 -0.517 1.00 15.44 N ATOM 1406 CA GLU A 88 8.751 -8.383 0.846 1.00 64.20 C ATOM 1407 C GLU A 88 8.746 -6.838 0.828 1.00 21.11 C ATOM 1408 O GLU A 88 9.586 -6.226 0.163 1.00 43.23 O ATOM 1409 CB GLU A 88 9.808 -9.019 1.786 1.00 23.14 C ATOM 1410 CG GLU A 88 9.178 -9.761 2.972 1.00 21.44 C ATOM 1411 CD GLU A 88 10.160 -10.723 3.664 1.00 51.11 C ATOM 1412 OE1 GLU A 88 10.393 -11.845 3.147 1.00 2.25 O ATOM 1413 OE2 GLU A 88 10.666 -10.386 4.758 1.00 60.34 O ATOM 0 H GLU A 88 9.601 -8.241 -1.057 1.00 15.44 H new ATOM 0 HA GLU A 88 7.778 -8.686 1.232 1.00 64.20 H new ATOM 0 HB2 GLU A 88 10.425 -9.713 1.215 1.00 23.14 H new ATOM 0 HB3 GLU A 88 10.470 -8.239 2.161 1.00 23.14 H new ATOM 0 HG2 GLU A 88 8.816 -9.034 3.699 1.00 21.44 H new ATOM 0 HG3 GLU A 88 8.311 -10.322 2.624 1.00 21.44 H new ATOM 1420 N MET A 89 7.771 -6.202 1.485 1.00 14.35 N ATOM 1421 CA MET A 89 7.632 -4.755 1.704 1.00 71.33 C ATOM 1422 C MET A 89 7.227 -4.557 3.164 1.00 52.51 C ATOM 1423 O MET A 89 6.457 -5.361 3.686 1.00 75.11 O ATOM 1424 CB MET A 89 6.536 -4.211 0.765 1.00 31.25 C ATOM 1425 CG MET A 89 6.014 -2.793 1.028 1.00 43.12 C ATOM 1426 SD MET A 89 4.216 -2.559 1.011 1.00 73.44 S ATOM 1427 CE MET A 89 3.893 -2.286 -0.749 1.00 41.33 C ATOM 0 H MET A 89 7.002 -6.720 1.909 1.00 14.35 H new ATOM 0 HA MET A 89 8.562 -4.225 1.495 1.00 71.33 H new ATOM 0 HB2 MET A 89 6.921 -4.243 -0.254 1.00 31.25 H new ATOM 0 HB3 MET A 89 5.688 -4.894 0.808 1.00 31.25 H new ATOM 0 HG2 MET A 89 6.388 -2.469 1.999 1.00 43.12 H new ATOM 0 HG3 MET A 89 6.449 -2.128 0.281 1.00 43.12 H new ATOM 0 HE1 MET A 89 3.489 -1.284 -0.894 1.00 41.33 H new ATOM 0 HE2 MET A 89 4.822 -2.387 -1.309 1.00 41.33 H new ATOM 0 HE3 MET A 89 3.173 -3.022 -1.105 1.00 41.33 H new ATOM 1437 N LYS A 90 7.662 -3.458 3.788 1.00 22.33 N ATOM 1438 CA LYS A 90 7.415 -3.136 5.191 1.00 4.21 C ATOM 1439 C LYS A 90 6.892 -1.704 5.313 1.00 33.43 C ATOM 1440 O LYS A 90 7.696 -0.769 5.234 1.00 14.14 O ATOM 1441 CB LYS A 90 8.732 -3.312 5.964 1.00 44.51 C ATOM 1442 CG LYS A 90 9.185 -4.761 6.205 1.00 13.41 C ATOM 1443 CD LYS A 90 10.491 -4.771 7.025 1.00 34.31 C ATOM 1444 CE LYS A 90 10.493 -5.888 8.078 1.00 23.45 C ATOM 1445 NZ LYS A 90 11.205 -7.124 7.690 1.00 4.54 N ATOM 0 H LYS A 90 8.215 -2.746 3.311 1.00 22.33 H new ATOM 0 HA LYS A 90 6.659 -3.801 5.609 1.00 4.21 H new ATOM 0 HB2 LYS A 90 9.521 -2.791 5.421 1.00 44.51 H new ATOM 0 HB3 LYS A 90 8.631 -2.819 6.931 1.00 44.51 H new ATOM 0 HG2 LYS A 90 8.408 -5.311 6.735 1.00 13.41 H new ATOM 0 HG3 LYS A 90 9.340 -5.267 5.252 1.00 13.41 H new ATOM 0 HD2 LYS A 90 11.340 -4.902 6.355 1.00 34.31 H new ATOM 0 HD3 LYS A 90 10.619 -3.807 7.517 1.00 34.31 H new ATOM 0 HE2 LYS A 90 10.943 -5.501 8.992 1.00 23.45 H new ATOM 0 HE3 LYS A 90 9.460 -6.143 8.315 1.00 23.45 H new ATOM 0 HZ1 LYS A 90 11.149 -7.815 8.466 1.00 4.54 H new ATOM 0 HZ2 LYS A 90 10.765 -7.525 6.837 1.00 4.54 H new ATOM 0 HZ3 LYS A 90 12.202 -6.903 7.494 1.00 4.54 H new ATOM 1459 N TRP A 91 5.565 -1.521 5.382 1.00 11.51 N ATOM 1460 CA TRP A 91 4.927 -0.203 5.478 1.00 42.40 C ATOM 1461 C TRP A 91 4.766 0.120 6.961 1.00 1.25 C ATOM 1462 O TRP A 91 3.795 -0.326 7.566 1.00 51.24 O ATOM 1463 CB TRP A 91 3.574 -0.152 4.715 1.00 43.54 C ATOM 1464 CG TRP A 91 3.575 0.390 3.294 1.00 71.21 C ATOM 1465 CD1 TRP A 91 2.537 0.990 2.647 1.00 14.15 C ATOM 1466 CD2 TRP A 91 4.675 0.436 2.324 1.00 60.04 C ATOM 1467 NE1 TRP A 91 2.886 1.271 1.348 1.00 24.05 N ATOM 1468 CE2 TRP A 91 4.191 0.958 1.089 1.00 40.34 C ATOM 1469 CE3 TRP A 91 6.032 0.062 2.335 1.00 15.24 C ATOM 1470 CZ2 TRP A 91 4.980 1.077 -0.064 1.00 1.11 C ATOM 1471 CZ3 TRP A 91 6.839 0.163 1.194 1.00 24.44 C ATOM 1472 CH2 TRP A 91 6.317 0.670 -0.008 1.00 23.35 C ATOM 0 H TRP A 91 4.899 -2.293 5.372 1.00 11.51 H new ATOM 0 HA TRP A 91 5.551 0.551 4.999 1.00 42.40 H new ATOM 0 HB2 TRP A 91 3.169 -1.163 4.686 1.00 43.54 H new ATOM 0 HB3 TRP A 91 2.882 0.452 5.302 1.00 43.54 H new ATOM 0 HD1 TRP A 91 1.578 1.213 3.091 1.00 14.15 H new ATOM 0 HE1 TRP A 91 2.247 1.666 0.659 1.00 24.05 H new ATOM 0 HE3 TRP A 91 6.464 -0.314 3.251 1.00 15.24 H new ATOM 0 HZ2 TRP A 91 4.563 1.475 -0.977 1.00 1.11 H new ATOM 0 HZ3 TRP A 91 7.871 -0.152 1.239 1.00 24.44 H new ATOM 0 HH2 TRP A 91 6.945 0.745 -0.884 1.00 23.35 H new ATOM 1483 N GLU A 92 5.706 0.868 7.547 1.00 52.30 N ATOM 1484 CA GLU A 92 5.549 1.402 8.902 1.00 35.12 C ATOM 1485 C GLU A 92 4.453 2.480 8.879 1.00 23.31 C ATOM 1486 O GLU A 92 4.292 3.165 7.873 1.00 64.23 O ATOM 1487 CB GLU A 92 6.895 1.961 9.408 1.00 74.41 C ATOM 1488 CG GLU A 92 6.869 2.340 10.897 1.00 31.25 C ATOM 1489 CD GLU A 92 8.262 2.663 11.463 1.00 35.01 C ATOM 1490 OE1 GLU A 92 8.737 3.801 11.245 1.00 12.25 O ATOM 1491 OE2 GLU A 92 8.875 1.794 12.136 1.00 3.32 O ATOM 0 H GLU A 92 6.588 1.118 7.100 1.00 52.30 H new ATOM 0 HA GLU A 92 5.248 0.614 9.592 1.00 35.12 H new ATOM 0 HB2 GLU A 92 7.675 1.218 9.242 1.00 74.41 H new ATOM 0 HB3 GLU A 92 7.161 2.840 8.820 1.00 74.41 H new ATOM 0 HG2 GLU A 92 6.219 3.204 11.034 1.00 31.25 H new ATOM 0 HG3 GLU A 92 6.433 1.519 11.467 1.00 31.25 H new ATOM 1498 N ASN A 93 3.728 2.660 9.984 1.00 33.33 N ATOM 1499 CA ASN A 93 2.619 3.600 10.148 1.00 64.03 C ATOM 1500 C ASN A 93 2.925 5.031 9.671 1.00 13.35 C ATOM 1501 O ASN A 93 2.070 5.640 9.039 1.00 40.33 O ATOM 1502 CB ASN A 93 2.183 3.569 11.627 1.00 51.53 C ATOM 1503 CG ASN A 93 1.722 4.923 12.140 1.00 22.13 C ATOM 1504 OD1 ASN A 93 0.509 5.327 11.822 1.00 31.43 O flip ATOM 1505 ND2 ASN A 93 2.498 5.640 12.756 1.00 32.04 N flip ATOM 0 H ASN A 93 3.909 2.125 10.834 1.00 33.33 H new ATOM 0 HA ASN A 93 1.805 3.277 9.499 1.00 64.03 H new ATOM 0 HB2 ASN A 93 1.375 2.847 11.747 1.00 51.53 H new ATOM 0 HB3 ASN A 93 3.015 3.220 12.238 1.00 51.53 H new ATOM 0 HD21 ASN A 93 3.431 5.300 12.988 1.00 32.04 H new ATOM 0 HD22 ASN A 93 2.212 6.578 13.037 1.00 32.04 H new ATOM 1512 N ALA A 94 4.106 5.571 9.976 1.00 63.34 N ATOM 1513 CA ALA A 94 4.528 6.964 9.797 1.00 73.24 C ATOM 1514 C ALA A 94 3.752 7.972 10.655 1.00 44.14 C ATOM 1515 O ALA A 94 4.396 8.793 11.309 1.00 54.52 O ATOM 1516 CB ALA A 94 4.563 7.393 8.322 1.00 75.44 C ATOM 0 H ALA A 94 4.849 5.005 10.385 1.00 63.34 H new ATOM 0 HA ALA A 94 5.553 6.982 10.168 1.00 73.24 H new ATOM 0 HB1 ALA A 94 4.882 8.433 8.253 1.00 75.44 H new ATOM 0 HB2 ALA A 94 5.264 6.761 7.776 1.00 75.44 H new ATOM 0 HB3 ALA A 94 3.568 7.290 7.889 1.00 75.44 H new ATOM 1522 N SER A 95 2.415 7.954 10.662 1.00 63.04 N ATOM 1523 CA SER A 95 1.607 8.977 11.317 1.00 24.11 C ATOM 1524 C SER A 95 0.658 8.377 12.359 1.00 55.54 C ATOM 1525 O SER A 95 -0.503 8.079 12.059 1.00 22.41 O ATOM 1526 CB SER A 95 0.892 9.821 10.270 1.00 54.33 C ATOM 1527 OG SER A 95 0.362 10.989 10.879 1.00 63.13 O ATOM 0 H SER A 95 1.864 7.224 10.210 1.00 63.04 H new ATOM 0 HA SER A 95 2.265 9.640 11.878 1.00 24.11 H new ATOM 0 HB2 SER A 95 1.585 10.096 9.475 1.00 54.33 H new ATOM 0 HB3 SER A 95 0.091 9.244 9.809 1.00 54.33 H new ATOM 0 HG SER A 95 -0.479 11.234 10.440 1.00 63.13 H new ATOM 1533 N PRO A 96 1.088 8.159 13.608 1.00 35.22 N ATOM 1534 CA PRO A 96 0.211 7.580 14.620 1.00 24.44 C ATOM 1535 C PRO A 96 -0.904 8.558 15.018 1.00 14.41 C ATOM 1536 O PRO A 96 -1.953 8.136 15.503 1.00 24.04 O ATOM 1537 CB PRO A 96 1.136 7.216 15.780 1.00 52.40 C ATOM 1538 CG PRO A 96 2.259 8.246 15.661 1.00 22.34 C ATOM 1539 CD PRO A 96 2.396 8.465 14.158 1.00 4.44 C ATOM 0 HA PRO A 96 -0.321 6.699 14.260 1.00 24.44 H new ATOM 0 HB2 PRO A 96 0.625 7.285 16.740 1.00 52.40 H new ATOM 0 HB3 PRO A 96 1.512 6.197 15.692 1.00 52.40 H new ATOM 0 HG2 PRO A 96 2.009 9.172 16.179 1.00 22.34 H new ATOM 0 HG3 PRO A 96 3.187 7.878 16.098 1.00 22.34 H new ATOM 0 HD2 PRO A 96 2.687 9.491 13.935 1.00 4.44 H new ATOM 0 HD3 PRO A 96 3.163 7.817 13.734 1.00 4.44 H new ATOM 1547 N LYS A 97 -0.722 9.864 14.772 1.00 34.03 N ATOM 1548 CA LYS A 97 -1.763 10.870 14.987 1.00 71.42 C ATOM 1549 C LYS A 97 -2.871 10.785 13.938 1.00 3.30 C ATOM 1550 O LYS A 97 -3.950 11.338 14.151 1.00 4.10 O ATOM 1551 CB LYS A 97 -1.162 12.281 14.983 1.00 53.53 C ATOM 1552 CG LYS A 97 0.007 12.425 15.965 1.00 15.21 C ATOM 1553 CD LYS A 97 0.347 13.902 16.186 1.00 75.31 C ATOM 1554 CE LYS A 97 1.532 14.025 17.149 1.00 3.43 C ATOM 1555 NZ LYS A 97 1.426 15.224 18.002 1.00 0.20 N ATOM 0 H LYS A 97 0.154 10.249 14.418 1.00 34.03 H new ATOM 0 HA LYS A 97 -2.204 10.664 15.962 1.00 71.42 H new ATOM 0 HB2 LYS A 97 -0.819 12.523 13.977 1.00 53.53 H new ATOM 0 HB3 LYS A 97 -1.937 13.003 15.238 1.00 53.53 H new ATOM 0 HG2 LYS A 97 -0.251 11.959 16.916 1.00 15.21 H new ATOM 0 HG3 LYS A 97 0.880 11.899 15.579 1.00 15.21 H new ATOM 0 HD2 LYS A 97 0.590 14.375 15.234 1.00 75.31 H new ATOM 0 HD3 LYS A 97 -0.518 14.427 16.591 1.00 75.31 H new ATOM 0 HE2 LYS A 97 1.583 13.136 17.777 1.00 3.43 H new ATOM 0 HE3 LYS A 97 2.460 14.066 16.579 1.00 3.43 H new ATOM 0 HZ1 LYS A 97 2.247 15.271 18.639 1.00 0.20 H new ATOM 0 HZ2 LYS A 97 1.403 16.075 17.404 1.00 0.20 H new ATOM 0 HZ3 LYS A 97 0.553 15.173 18.565 1.00 0.20 H new ATOM 1569 N ASP A 98 -2.613 10.131 12.806 1.00 63.01 N ATOM 1570 CA ASP A 98 -3.627 9.839 11.803 1.00 55.33 C ATOM 1571 C ASP A 98 -4.216 8.446 12.052 1.00 32.33 C ATOM 1572 O ASP A 98 -5.426 8.266 11.880 1.00 15.33 O ATOM 1573 CB ASP A 98 -3.038 9.947 10.397 1.00 13.35 C ATOM 1574 CG ASP A 98 -3.169 11.346 9.783 1.00 52.12 C ATOM 1575 OD1 ASP A 98 -2.415 12.285 10.138 1.00 14.31 O ATOM 1576 OD2 ASP A 98 -3.970 11.470 8.828 1.00 42.24 O ATOM 0 H ASP A 98 -1.685 9.787 12.561 1.00 63.01 H new ATOM 0 HA ASP A 98 -4.429 10.572 11.882 1.00 55.33 H new ATOM 0 HB2 ASP A 98 -1.984 9.672 10.431 1.00 13.35 H new ATOM 0 HB3 ASP A 98 -3.535 9.226 9.748 1.00 13.35 H new ATOM 1581 N GLY A 99 -3.392 7.492 12.508 1.00 15.11 N ATOM 1582 CA GLY A 99 -3.802 6.184 13.018 1.00 43.21 C ATOM 1583 C GLY A 99 -3.660 5.064 11.986 1.00 75.21 C ATOM 1584 O GLY A 99 -4.646 4.392 11.671 1.00 13.53 O ATOM 0 H GLY A 99 -2.380 7.620 12.531 1.00 15.11 H new ATOM 0 HA2 GLY A 99 -3.203 5.939 13.895 1.00 43.21 H new ATOM 0 HA3 GLY A 99 -4.840 6.238 13.346 1.00 43.21 H new ATOM 1588 N ASN A 100 -2.441 4.850 11.479 1.00 61.03 N ATOM 1589 CA ASN A 100 -2.104 3.874 10.424 1.00 64.33 C ATOM 1590 C ASN A 100 -1.404 2.639 11.017 1.00 72.30 C ATOM 1591 O ASN A 100 -1.186 2.606 12.227 1.00 3.52 O ATOM 1592 CB ASN A 100 -1.280 4.533 9.289 1.00 62.33 C ATOM 1593 CG ASN A 100 -1.687 5.974 9.016 1.00 15.22 C ATOM 1594 OD1 ASN A 100 -0.988 6.916 9.366 1.00 54.14 O ATOM 1595 ND2 ASN A 100 -2.876 6.181 8.486 1.00 11.12 N ATOM 0 H ASN A 100 -1.626 5.371 11.802 1.00 61.03 H new ATOM 0 HA ASN A 100 -3.034 3.526 9.973 1.00 64.33 H new ATOM 0 HB2 ASN A 100 -0.223 4.504 9.552 1.00 62.33 H new ATOM 0 HB3 ASN A 100 -1.398 3.949 8.376 1.00 62.33 H new ATOM 0 HD21 ASN A 100 -3.221 7.133 8.364 1.00 11.12 H new ATOM 0 HD22 ASN A 100 -3.451 5.389 8.198 1.00 11.12 H new ATOM 1602 N SER A 101 -1.046 1.643 10.196 1.00 32.33 N ATOM 1603 CA SER A 101 -0.736 0.268 10.625 1.00 35.32 C ATOM 1604 C SER A 101 0.549 -0.252 9.948 1.00 55.20 C ATOM 1605 O SER A 101 0.861 0.181 8.836 1.00 61.30 O ATOM 1606 CB SER A 101 -1.946 -0.614 10.268 1.00 55.34 C ATOM 1607 OG SER A 101 -3.161 0.013 10.660 1.00 33.22 O ATOM 0 H SER A 101 -0.961 1.772 9.188 1.00 32.33 H new ATOM 0 HA SER A 101 -0.553 0.242 11.699 1.00 35.32 H new ATOM 0 HB2 SER A 101 -1.959 -0.804 9.195 1.00 55.34 H new ATOM 0 HB3 SER A 101 -1.855 -1.581 10.762 1.00 55.34 H new ATOM 0 HG SER A 101 -3.918 -0.563 10.423 1.00 33.22 H new ATOM 1613 N ASP A 102 1.277 -1.187 10.580 1.00 21.23 N ATOM 1614 CA ASP A 102 2.718 -1.463 10.356 1.00 11.45 C ATOM 1615 C ASP A 102 3.003 -2.682 9.450 1.00 54.20 C ATOM 1616 O ASP A 102 4.055 -3.320 9.464 1.00 34.32 O ATOM 1617 CB ASP A 102 3.462 -1.512 11.711 1.00 22.32 C ATOM 1618 CG ASP A 102 3.833 -2.911 12.232 1.00 73.20 C ATOM 1619 OD1 ASP A 102 2.930 -3.620 12.716 1.00 14.55 O ATOM 1620 OD2 ASP A 102 5.019 -3.320 12.163 1.00 24.01 O ATOM 0 H ASP A 102 0.869 -1.797 11.288 1.00 21.23 H new ATOM 0 HA ASP A 102 3.119 -0.630 9.778 1.00 11.45 H new ATOM 0 HB2 ASP A 102 4.377 -0.926 11.621 1.00 22.32 H new ATOM 0 HB3 ASP A 102 2.842 -1.021 12.460 1.00 22.32 H new ATOM 1625 N LYS A 103 2.020 -3.060 8.652 1.00 21.35 N ATOM 1626 CA LYS A 103 1.923 -4.373 8.008 1.00 14.24 C ATOM 1627 C LYS A 103 3.023 -4.659 6.976 1.00 33.03 C ATOM 1628 O LYS A 103 3.694 -3.745 6.478 1.00 0.53 O ATOM 1629 CB LYS A 103 0.540 -4.490 7.369 1.00 43.21 C ATOM 1630 CG LYS A 103 0.406 -3.645 6.104 1.00 14.23 C ATOM 1631 CD LYS A 103 0.352 -2.122 6.315 1.00 63.13 C ATOM 1632 CE LYS A 103 -0.458 -1.581 5.138 1.00 23.42 C ATOM 1633 NZ LYS A 103 -0.075 -0.212 4.761 1.00 32.21 N ATOM 0 H LYS A 103 1.238 -2.447 8.422 1.00 21.35 H new ATOM 0 HA LYS A 103 2.069 -5.126 8.782 1.00 14.24 H new ATOM 0 HB2 LYS A 103 0.343 -5.534 7.127 1.00 43.21 H new ATOM 0 HB3 LYS A 103 -0.217 -4.181 8.090 1.00 43.21 H new ATOM 0 HG2 LYS A 103 1.247 -3.872 5.448 1.00 14.23 H new ATOM 0 HG3 LYS A 103 -0.499 -3.952 5.580 1.00 14.23 H new ATOM 0 HD2 LYS A 103 -0.120 -1.873 7.265 1.00 63.13 H new ATOM 0 HD3 LYS A 103 1.353 -1.692 6.334 1.00 63.13 H new ATOM 0 HE2 LYS A 103 -0.326 -2.239 4.279 1.00 23.42 H new ATOM 0 HE3 LYS A 103 -1.517 -1.599 5.394 1.00 23.42 H new ATOM 0 HZ1 LYS A 103 -0.712 0.134 4.015 1.00 32.21 H new ATOM 0 HZ2 LYS A 103 -0.145 0.409 5.592 1.00 32.21 H new ATOM 0 HZ3 LYS A 103 0.903 -0.210 4.409 1.00 32.21 H new ATOM 1647 N ARG A 104 3.110 -5.922 6.534 1.00 61.11 N ATOM 1648 CA ARG A 104 4.188 -6.403 5.678 1.00 3.43 C ATOM 1649 C ARG A 104 3.631 -7.124 4.447 1.00 20.34 C ATOM 1650 O ARG A 104 3.346 -8.319 4.503 1.00 24.24 O ATOM 1651 CB ARG A 104 5.120 -7.293 6.528 1.00 62.20 C ATOM 1652 CG ARG A 104 6.429 -7.695 5.826 1.00 53.54 C ATOM 1653 CD ARG A 104 7.139 -8.840 6.561 1.00 32.33 C ATOM 1654 NE ARG A 104 6.427 -10.112 6.377 1.00 55.34 N ATOM 1655 CZ ARG A 104 6.960 -11.329 6.268 1.00 63.12 C ATOM 1656 NH1 ARG A 104 8.225 -11.571 6.606 1.00 52.10 N ATOM 1657 NH2 ARG A 104 6.192 -12.298 5.791 1.00 22.15 N ATOM 0 H ARG A 104 2.424 -6.640 6.767 1.00 61.11 H new ATOM 0 HA ARG A 104 4.770 -5.567 5.289 1.00 3.43 H new ATOM 0 HB2 ARG A 104 5.364 -6.766 7.450 1.00 62.20 H new ATOM 0 HB3 ARG A 104 4.581 -8.197 6.810 1.00 62.20 H new ATOM 0 HG2 ARG A 104 6.214 -7.998 4.801 1.00 53.54 H new ATOM 0 HG3 ARG A 104 7.092 -6.832 5.770 1.00 53.54 H new ATOM 0 HD2 ARG A 104 8.160 -8.935 6.191 1.00 32.33 H new ATOM 0 HD3 ARG A 104 7.205 -8.608 7.624 1.00 32.33 H new ATOM 0 HE ARG A 104 5.410 -10.058 6.327 1.00 55.34 H new ATOM 0 HH11 ARG A 104 8.812 -10.815 6.959 1.00 52.10 H new ATOM 0 HH12 ARG A 104 8.607 -12.512 6.512 1.00 52.10 H new ATOM 0 HH21 ARG A 104 5.228 -12.099 5.522 1.00 22.15 H new ATOM 0 HH22 ARG A 104 6.565 -13.242 5.693 1.00 22.15 H new ATOM 1671 N LEU A 105 3.456 -6.382 3.349 1.00 12.54 N ATOM 1672 CA LEU A 105 2.883 -6.849 2.080 1.00 71.20 C ATOM 1673 C LEU A 105 3.798 -7.922 1.516 1.00 11.53 C ATOM 1674 O LEU A 105 5.006 -7.695 1.357 1.00 41.14 O ATOM 1675 CB LEU A 105 2.658 -5.704 1.084 1.00 34.33 C ATOM 1676 CG LEU A 105 1.520 -4.696 1.353 1.00 40.10 C ATOM 1677 CD1 LEU A 105 0.207 -4.900 0.601 1.00 75.12 C ATOM 1678 CD2 LEU A 105 1.403 -4.276 2.818 1.00 72.43 C ATOM 0 H LEU A 105 3.721 -5.397 3.318 1.00 12.54 H new ATOM 0 HA LEU A 105 1.893 -7.268 2.263 1.00 71.20 H new ATOM 0 HB2 LEU A 105 3.588 -5.140 1.014 1.00 34.33 H new ATOM 0 HB3 LEU A 105 2.480 -6.149 0.105 1.00 34.33 H new ATOM 0 HG LEU A 105 1.870 -3.799 0.842 1.00 40.10 H new ATOM 0 HD11 LEU A 105 -0.500 -4.121 0.886 1.00 75.12 H new ATOM 0 HD12 LEU A 105 0.390 -4.848 -0.472 1.00 75.12 H new ATOM 0 HD13 LEU A 105 -0.208 -5.876 0.851 1.00 75.12 H new ATOM 0 HD21 LEU A 105 0.582 -3.567 2.929 1.00 72.43 H new ATOM 0 HD22 LEU A 105 1.210 -5.154 3.434 1.00 72.43 H new ATOM 0 HD23 LEU A 105 2.333 -3.806 3.137 1.00 72.43 H new ATOM 1690 N GLU A 106 3.212 -9.061 1.149 1.00 43.52 N ATOM 1691 CA GLU A 106 3.938 -10.223 0.636 1.00 13.34 C ATOM 1692 C GLU A 106 3.548 -10.527 -0.808 1.00 12.42 C ATOM 1693 O GLU A 106 3.258 -11.651 -1.210 1.00 74.12 O ATOM 1694 CB GLU A 106 3.934 -11.429 1.578 1.00 34.35 C ATOM 1695 CG GLU A 106 5.340 -12.053 1.558 1.00 3.34 C ATOM 1696 CD GLU A 106 5.557 -13.158 2.587 1.00 1.43 C ATOM 1697 OE1 GLU A 106 4.597 -13.856 2.978 1.00 72.03 O ATOM 1698 OE2 GLU A 106 6.729 -13.329 3.001 1.00 33.33 O ATOM 0 H GLU A 106 2.204 -9.205 1.200 1.00 43.52 H new ATOM 0 HA GLU A 106 4.994 -9.953 0.608 1.00 13.34 H new ATOM 0 HB2 GLU A 106 3.668 -11.122 2.589 1.00 34.35 H new ATOM 0 HB3 GLU A 106 3.189 -12.158 1.260 1.00 34.35 H new ATOM 0 HG2 GLU A 106 5.530 -12.458 0.564 1.00 3.34 H new ATOM 0 HG3 GLU A 106 6.075 -11.266 1.728 1.00 3.34 H new ATOM 1705 N LYS A 107 3.641 -9.471 -1.617 1.00 32.13 N ATOM 1706 CA LYS A 107 3.547 -9.516 -3.060 1.00 20.32 C ATOM 1707 C LYS A 107 2.172 -10.047 -3.418 1.00 52.41 C ATOM 1708 O LYS A 107 1.264 -9.915 -2.619 1.00 4.15 O ATOM 1709 CB LYS A 107 4.737 -10.311 -3.626 1.00 2.41 C ATOM 1710 CG LYS A 107 5.258 -9.653 -4.919 1.00 51.23 C ATOM 1711 CD LYS A 107 5.991 -8.301 -4.746 1.00 41.50 C ATOM 1712 CE LYS A 107 6.013 -7.460 -6.024 1.00 64.21 C ATOM 1713 NZ LYS A 107 6.978 -8.004 -7.015 1.00 43.54 N ATOM 0 H LYS A 107 3.790 -8.527 -1.261 1.00 32.13 H new ATOM 0 HA LYS A 107 3.627 -8.533 -3.523 1.00 20.32 H new ATOM 0 HB2 LYS A 107 5.536 -10.357 -2.886 1.00 2.41 H new ATOM 0 HB3 LYS A 107 4.432 -11.337 -3.830 1.00 2.41 H new ATOM 0 HG2 LYS A 107 5.936 -10.351 -5.410 1.00 51.23 H new ATOM 0 HG3 LYS A 107 4.414 -9.502 -5.592 1.00 51.23 H new ATOM 0 HD2 LYS A 107 5.507 -7.732 -3.952 1.00 41.50 H new ATOM 0 HD3 LYS A 107 7.015 -8.489 -4.425 1.00 41.50 H new ATOM 0 HE2 LYS A 107 5.015 -7.435 -6.462 1.00 64.21 H new ATOM 0 HE3 LYS A 107 6.280 -6.432 -5.780 1.00 64.21 H new ATOM 0 HZ1 LYS A 107 7.405 -7.221 -7.550 1.00 43.54 H new ATOM 0 HZ2 LYS A 107 7.724 -8.532 -6.519 1.00 43.54 H new ATOM 0 HZ3 LYS A 107 6.481 -8.640 -7.670 1.00 43.54 H new ATOM 1727 N TYR A 108 1.945 -10.462 -4.648 1.00 2.32 N ATOM 1728 CA TYR A 108 0.609 -10.803 -5.116 1.00 65.42 C ATOM 1729 C TYR A 108 0.354 -12.302 -5.066 1.00 42.10 C ATOM 1730 O TYR A 108 0.576 -13.003 -6.061 1.00 4.44 O ATOM 1731 CB TYR A 108 0.405 -10.213 -6.498 1.00 40.42 C ATOM 1732 CG TYR A 108 -1.041 -10.108 -6.908 1.00 20.33 C ATOM 1733 CD1 TYR A 108 -1.918 -9.310 -6.152 1.00 2.42 C ATOM 1734 CD2 TYR A 108 -1.498 -10.758 -8.066 1.00 14.23 C ATOM 1735 CE1 TYR A 108 -3.232 -9.104 -6.589 1.00 34.05 C ATOM 1736 CE2 TYR A 108 -2.808 -10.531 -8.518 1.00 54.11 C ATOM 1737 CZ TYR A 108 -3.672 -9.673 -7.803 1.00 51.33 C ATOM 1738 OH TYR A 108 -4.917 -9.416 -8.288 1.00 71.32 O ATOM 0 H TYR A 108 2.675 -10.573 -5.351 1.00 2.32 H new ATOM 0 HA TYR A 108 -0.132 -10.367 -4.446 1.00 65.42 H new ATOM 0 HB2 TYR A 108 0.855 -9.220 -6.529 1.00 40.42 H new ATOM 0 HB3 TYR A 108 0.936 -10.826 -7.226 1.00 40.42 H new ATOM 0 HD1 TYR A 108 -1.578 -8.856 -5.233 1.00 2.42 H new ATOM 0 HD2 TYR A 108 -0.846 -11.429 -8.606 1.00 14.23 H new ATOM 0 HE1 TYR A 108 -3.910 -8.508 -5.996 1.00 34.05 H new ATOM 0 HE2 TYR A 108 -3.157 -11.016 -9.418 1.00 54.11 H new ATOM 0 HH TYR A 108 -5.043 -9.893 -9.135 1.00 71.32 H new ATOM 1748 N ASN A 109 -0.095 -12.801 -3.918 1.00 54.22 N ATOM 1749 CA ASN A 109 -0.473 -14.200 -3.759 1.00 62.24 C ATOM 1750 C ASN A 109 -1.460 -14.356 -2.604 1.00 5.25 C ATOM 1751 O ASN A 109 -1.134 -13.961 -1.496 1.00 50.24 O ATOM 1752 CB ASN A 109 0.768 -15.090 -3.567 1.00 65.04 C ATOM 1753 CG ASN A 109 0.566 -16.375 -4.355 1.00 50.20 C ATOM 1754 OD1 ASN A 109 1.091 -16.532 -5.462 1.00 22.25 O ATOM 1755 ND2 ASN A 109 -0.250 -17.278 -3.847 1.00 41.24 N ATOM 0 H ASN A 109 -0.207 -12.245 -3.070 1.00 54.22 H new ATOM 0 HA ASN A 109 -0.969 -14.530 -4.672 1.00 62.24 H new ATOM 0 HB2 ASN A 109 1.663 -14.571 -3.911 1.00 65.04 H new ATOM 0 HB3 ASN A 109 0.915 -15.313 -2.510 1.00 65.04 H new ATOM 0 HD21 ASN A 109 -0.459 -18.128 -4.370 1.00 41.24 H new ATOM 0 HD22 ASN A 109 -0.672 -17.126 -2.931 1.00 41.24 H new ATOM 1762 N ASP A 110 -2.633 -14.927 -2.900 1.00 25.14 N ATOM 1763 CA ASP A 110 -3.860 -14.990 -2.086 1.00 11.21 C ATOM 1764 C ASP A 110 -4.218 -13.670 -1.442 1.00 43.20 C ATOM 1765 O ASP A 110 -3.727 -13.417 -0.321 1.00 70.42 O ATOM 1766 CB ASP A 110 -4.005 -16.172 -1.125 1.00 65.30 C ATOM 1767 CG ASP A 110 -5.340 -16.073 -0.365 1.00 12.44 C ATOM 1768 OD1 ASP A 110 -6.393 -15.811 -0.988 1.00 10.41 O ATOM 1769 OD2 ASP A 110 -5.379 -16.270 0.866 1.00 25.13 O ATOM 0 H ASP A 110 -2.763 -15.400 -3.794 1.00 25.14 H new ATOM 0 HA ASP A 110 -4.615 -15.206 -2.842 1.00 11.21 H new ATOM 0 HB2 ASP A 110 -3.962 -17.109 -1.680 1.00 65.30 H new ATOM 0 HB3 ASP A 110 -3.175 -16.181 -0.419 1.00 65.30 H new TER 1774 ASP A 110