USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 942 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 6 MET CE :methyl 149:sc= -0.868 (180deg=-2.81!) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -3.06! C(o=-3.9!,f=-5.5!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 151:sc= -0.131 (180deg=-0.997) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 GLN : amide:sc= -1.53! K(o=-1.4!,f=-0.6) USER MOD Set 3.2: A 20 THR OG1 : rot 150:sc= 0.0972 USER MOD Single : A 8 MET CE :methyl -102:sc= -6.74! (180deg=-8.97!) USER MOD Single : A 17 ASN : amide:sc= -0.424 K(o=-0.42,f=-3.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0676) USER MOD Single : A 28 ASN : amide:sc= -3.64! K(o=-3.6!,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -17.5! C(o=-18!,f=-27!) USER MOD Single : A 39 MET CE :methyl -163:sc= -1.72 (180deg=-3.26!) USER MOD Single : A 40 HIS : no HD1:sc= -0.573 K(o=-0.57,f=-3.1) USER MOD Single : A 44 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=0.00077) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -11.2! C(o=-11!,f=-10!) USER MOD Single : A 62 THR OG1 : rot -40:sc= 0.543 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 66 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.72) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0.01 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 83 CYS SG : rot 76:sc= 0.0891 USER MOD Single : A 85 MET CE :methyl -144:sc= -7.06! (180deg=-9.18!) USER MOD Single : A 86 ASN : amide:sc= -4.16! C(o=-4.2!,f=-12!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.265 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 6:sc= 1.21 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.7!) USER MOD Single : A 104 ASN : amide:sc= -0.0763 K(o=-0.076,f=-2.1!) USER MOD Single : A 109 TYR OH : rot 15:sc= -1.43! USER MOD Single : A 111 MET CE :methyl -170:sc= -0.037 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 105.272 7.046 -19.345 1.00 0.00 N ATOM 2 CA PRO A 2 104.500 7.942 -20.224 1.00 0.00 C ATOM 3 C PRO A 2 102.995 7.687 -20.074 1.00 0.00 C ATOM 4 O PRO A 2 102.278 7.562 -21.047 1.00 0.00 O ATOM 5 CB PRO A 2 104.973 7.556 -21.629 1.00 0.00 C ATOM 6 CG PRO A 2 105.530 6.117 -21.523 1.00 0.00 C ATOM 7 CD PRO A 2 105.833 5.865 -20.033 1.00 0.00 C ATOM 0 HA PRO A 2 104.653 8.997 -19.995 1.00 0.00 H new ATOM 0 HB2 PRO A 2 104.150 7.602 -22.342 1.00 0.00 H new ATOM 0 HB3 PRO A 2 105.740 8.244 -21.983 1.00 0.00 H new ATOM 0 HG2 PRO A 2 104.806 5.394 -21.898 1.00 0.00 H new ATOM 0 HG3 PRO A 2 106.432 6.006 -22.125 1.00 0.00 H new ATOM 0 HD2 PRO A 2 105.370 4.943 -19.683 1.00 0.00 H new ATOM 0 HD3 PRO A 2 106.904 5.772 -19.855 1.00 0.00 H new ATOM 17 N VAL A 3 102.508 7.607 -18.866 1.00 0.00 N ATOM 18 CA VAL A 3 101.052 7.363 -18.668 1.00 0.00 C ATOM 19 C VAL A 3 100.674 6.026 -19.309 1.00 0.00 C ATOM 20 O VAL A 3 100.095 5.980 -20.376 1.00 0.00 O ATOM 21 CB VAL A 3 100.253 8.489 -19.327 1.00 0.00 C ATOM 22 CG1 VAL A 3 98.781 8.373 -18.932 1.00 0.00 C ATOM 23 CG2 VAL A 3 100.800 9.840 -18.858 1.00 0.00 C ATOM 0 H VAL A 3 103.054 7.700 -18.010 1.00 0.00 H new ATOM 0 HA VAL A 3 100.826 7.335 -17.602 1.00 0.00 H new ATOM 0 HB VAL A 3 100.344 8.412 -20.410 1.00 0.00 H new ATOM 0 HG11 VAL A 3 98.214 9.176 -19.402 1.00 0.00 H new ATOM 0 HG12 VAL A 3 98.390 7.411 -19.263 1.00 0.00 H new ATOM 0 HG13 VAL A 3 98.688 8.449 -17.849 1.00 0.00 H new ATOM 0 HG21 VAL A 3 100.233 10.645 -19.326 1.00 0.00 H new ATOM 0 HG22 VAL A 3 100.708 9.914 -17.774 1.00 0.00 H new ATOM 0 HG23 VAL A 3 101.850 9.925 -19.139 1.00 0.00 H new ATOM 33 N GLU A 4 101.002 4.937 -18.670 1.00 0.00 N ATOM 34 CA GLU A 4 100.664 3.606 -19.246 1.00 0.00 C ATOM 35 C GLU A 4 99.316 3.132 -18.698 1.00 0.00 C ATOM 36 O GLU A 4 98.791 3.683 -17.751 1.00 0.00 O ATOM 37 CB GLU A 4 101.750 2.597 -18.866 1.00 0.00 C ATOM 38 CG GLU A 4 101.972 1.627 -20.028 1.00 0.00 C ATOM 39 CD GLU A 4 102.704 0.384 -19.520 1.00 0.00 C ATOM 40 OE1 GLU A 4 103.848 0.518 -19.116 1.00 0.00 O ATOM 41 OE2 GLU A 4 102.108 -0.680 -19.543 1.00 0.00 O ATOM 0 H GLU A 4 101.489 4.912 -17.774 1.00 0.00 H new ATOM 0 HA GLU A 4 100.603 3.688 -20.331 1.00 0.00 H new ATOM 0 HB2 GLU A 4 102.678 3.117 -18.630 1.00 0.00 H new ATOM 0 HB3 GLU A 4 101.455 2.049 -17.971 1.00 0.00 H new ATOM 0 HG2 GLU A 4 101.016 1.345 -20.468 1.00 0.00 H new ATOM 0 HG3 GLU A 4 102.554 2.110 -20.813 1.00 0.00 H new ATOM 48 N ARG A 5 98.753 2.115 -19.288 1.00 0.00 N ATOM 49 CA ARG A 5 97.439 1.603 -18.806 1.00 0.00 C ATOM 50 C ARG A 5 97.671 0.541 -17.728 1.00 0.00 C ATOM 51 O ARG A 5 97.216 -0.580 -17.841 1.00 0.00 O ATOM 52 CB ARG A 5 96.676 0.982 -19.978 1.00 0.00 C ATOM 53 CG ARG A 5 95.694 2.007 -20.551 1.00 0.00 C ATOM 54 CD ARG A 5 94.378 1.311 -20.903 1.00 0.00 C ATOM 55 NE ARG A 5 93.361 1.618 -19.858 1.00 0.00 N ATOM 56 CZ ARG A 5 92.092 1.446 -20.106 1.00 0.00 C ATOM 57 NH1 ARG A 5 91.703 1.005 -21.274 1.00 0.00 N ATOM 58 NH2 ARG A 5 91.208 1.712 -19.183 1.00 0.00 N ATOM 0 H ARG A 5 99.147 1.615 -20.085 1.00 0.00 H new ATOM 0 HA ARG A 5 96.858 2.425 -18.387 1.00 0.00 H new ATOM 0 HB2 ARG A 5 97.374 0.661 -20.751 1.00 0.00 H new ATOM 0 HB3 ARG A 5 96.138 0.094 -19.646 1.00 0.00 H new ATOM 0 HG2 ARG A 5 95.515 2.800 -19.825 1.00 0.00 H new ATOM 0 HG3 ARG A 5 96.118 2.476 -21.439 1.00 0.00 H new ATOM 0 HD2 ARG A 5 94.026 1.647 -21.878 1.00 0.00 H new ATOM 0 HD3 ARG A 5 94.531 0.234 -20.972 1.00 0.00 H new ATOM 0 HE ARG A 5 93.658 1.964 -18.946 1.00 0.00 H new ATOM 0 HH11 ARG A 5 92.393 0.794 -21.995 1.00 0.00 H new ATOM 0 HH12 ARG A 5 90.710 0.872 -21.464 1.00 0.00 H new ATOM 0 HH21 ARG A 5 91.510 2.053 -18.271 1.00 0.00 H new ATOM 0 HH22 ARG A 5 90.215 1.578 -19.374 1.00 0.00 H new ATOM 72 N MET A 6 98.375 0.883 -16.684 1.00 0.00 N ATOM 73 CA MET A 6 98.634 -0.109 -15.601 1.00 0.00 C ATOM 74 C MET A 6 97.301 -0.597 -15.030 1.00 0.00 C ATOM 75 O MET A 6 96.278 -0.543 -15.685 1.00 0.00 O ATOM 76 CB MET A 6 99.456 0.547 -14.490 1.00 0.00 C ATOM 77 CG MET A 6 98.599 1.586 -13.767 1.00 0.00 C ATOM 78 SD MET A 6 98.334 1.068 -12.053 1.00 0.00 S ATOM 79 CE MET A 6 100.076 0.926 -11.585 1.00 0.00 C ATOM 0 H MET A 6 98.782 1.806 -16.534 1.00 0.00 H new ATOM 0 HA MET A 6 99.188 -0.955 -16.008 1.00 0.00 H new ATOM 0 HB2 MET A 6 99.802 -0.209 -13.785 1.00 0.00 H new ATOM 0 HB3 MET A 6 100.343 1.021 -14.911 1.00 0.00 H new ATOM 0 HG2 MET A 6 99.091 2.559 -13.792 1.00 0.00 H new ATOM 0 HG3 MET A 6 97.642 1.700 -14.275 1.00 0.00 H new ATOM 0 HE1 MET A 6 100.188 1.159 -10.526 1.00 0.00 H new ATOM 0 HE2 MET A 6 100.421 -0.091 -11.772 1.00 0.00 H new ATOM 0 HE3 MET A 6 100.669 1.625 -12.175 1.00 0.00 H new ATOM 89 N ARG A 7 97.301 -1.074 -13.815 1.00 0.00 N ATOM 90 CA ARG A 7 96.029 -1.563 -13.211 1.00 0.00 C ATOM 91 C ARG A 7 96.096 -1.430 -11.687 1.00 0.00 C ATOM 92 O ARG A 7 97.162 -1.373 -11.099 1.00 0.00 O ATOM 93 CB ARG A 7 95.818 -3.034 -13.582 1.00 0.00 C ATOM 94 CG ARG A 7 94.437 -3.209 -14.218 1.00 0.00 C ATOM 95 CD ARG A 7 94.555 -3.091 -15.738 1.00 0.00 C ATOM 96 NE ARG A 7 93.258 -3.465 -16.367 1.00 0.00 N ATOM 97 CZ ARG A 7 92.913 -4.722 -16.464 1.00 0.00 C ATOM 98 NH1 ARG A 7 93.704 -5.657 -16.010 1.00 0.00 N ATOM 99 NH2 ARG A 7 91.775 -5.044 -17.016 1.00 0.00 N ATOM 0 H ARG A 7 98.124 -1.146 -13.216 1.00 0.00 H new ATOM 0 HA ARG A 7 95.199 -0.967 -13.591 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.593 -3.360 -14.276 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.902 -3.660 -12.693 1.00 0.00 H new ATOM 0 HG2 ARG A 7 94.022 -4.180 -13.949 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.751 -2.453 -13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 7 94.825 -2.072 -16.014 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.350 -3.742 -16.103 1.00 0.00 H new ATOM 0 HE ARG A 7 92.637 -2.738 -16.723 1.00 0.00 H new ATOM 0 HH11 ARG A 7 94.594 -5.407 -15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 7 93.432 -6.637 -16.087 1.00 0.00 H new ATOM 0 HH21 ARG A 7 91.156 -4.315 -17.371 1.00 0.00 H new ATOM 0 HH22 ARG A 7 91.505 -6.025 -17.092 1.00 0.00 H new ATOM 113 N MET A 8 94.963 -1.388 -11.042 1.00 0.00 N ATOM 114 CA MET A 8 94.955 -1.262 -9.562 1.00 0.00 C ATOM 115 C MET A 8 95.604 -2.503 -8.930 1.00 0.00 C ATOM 116 O MET A 8 96.232 -2.426 -7.890 1.00 0.00 O ATOM 117 CB MET A 8 93.509 -1.141 -9.077 1.00 0.00 C ATOM 118 CG MET A 8 93.494 -0.992 -7.558 1.00 0.00 C ATOM 119 SD MET A 8 93.502 -2.632 -6.793 1.00 0.00 S ATOM 120 CE MET A 8 93.145 -2.096 -5.102 1.00 0.00 C ATOM 0 H MET A 8 94.042 -1.436 -11.479 1.00 0.00 H new ATOM 0 HA MET A 8 95.519 -0.376 -9.270 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.029 -0.280 -9.543 1.00 0.00 H new ATOM 0 HB3 MET A 8 92.940 -2.022 -9.373 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.362 -0.421 -7.229 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.610 -0.437 -7.245 1.00 0.00 H new ATOM 0 HE1 MET A 8 94.064 -2.103 -4.516 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.733 -1.087 -5.119 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.422 -2.775 -4.650 1.00 0.00 H new ATOM 130 N ARG A 9 95.450 -3.646 -9.548 1.00 0.00 N ATOM 131 CA ARG A 9 96.047 -4.896 -8.984 1.00 0.00 C ATOM 132 C ARG A 9 97.548 -4.701 -8.730 1.00 0.00 C ATOM 133 O ARG A 9 98.006 -4.833 -7.610 1.00 0.00 O ATOM 134 CB ARG A 9 95.838 -6.053 -9.966 1.00 0.00 C ATOM 135 CG ARG A 9 94.632 -6.886 -9.522 1.00 0.00 C ATOM 136 CD ARG A 9 95.014 -8.367 -9.481 1.00 0.00 C ATOM 137 NE ARG A 9 93.926 -9.139 -8.814 1.00 0.00 N ATOM 138 CZ ARG A 9 94.093 -10.406 -8.536 1.00 0.00 C ATOM 139 NH1 ARG A 9 95.212 -11.004 -8.843 1.00 0.00 N ATOM 140 NH2 ARG A 9 93.137 -11.075 -7.949 1.00 0.00 N ATOM 0 H ARG A 9 94.936 -3.769 -10.420 1.00 0.00 H new ATOM 0 HA ARG A 9 95.556 -5.126 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.676 -5.666 -10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.731 -6.677 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.295 -6.560 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 9 93.800 -6.734 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 9 95.174 -8.741 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.952 -8.498 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 9 93.049 -8.677 -8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 9 95.960 -10.483 -9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 9 95.339 -11.992 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 9 92.262 -10.609 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 9 93.265 -12.063 -7.731 1.00 0.00 H new ATOM 154 N PRO A 10 98.272 -4.387 -9.774 1.00 0.00 N ATOM 155 CA PRO A 10 99.723 -4.166 -9.686 1.00 0.00 C ATOM 156 C PRO A 10 100.035 -2.882 -8.912 1.00 0.00 C ATOM 157 O PRO A 10 101.053 -2.783 -8.259 1.00 0.00 O ATOM 158 CB PRO A 10 100.175 -4.081 -11.144 1.00 0.00 C ATOM 159 CG PRO A 10 98.918 -3.728 -11.960 1.00 0.00 C ATOM 160 CD PRO A 10 97.716 -4.213 -11.129 1.00 0.00 C ATOM 0 HA PRO A 10 100.242 -4.958 -9.145 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.947 -3.322 -11.269 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.602 -5.027 -11.476 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.859 -2.654 -12.140 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.938 -4.214 -12.936 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.904 -3.486 -11.138 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.311 -5.147 -11.518 1.00 0.00 H new ATOM 168 N TRP A 11 99.171 -1.904 -8.957 1.00 0.00 N ATOM 169 CA TRP A 11 99.450 -0.656 -8.193 1.00 0.00 C ATOM 170 C TRP A 11 99.564 -0.997 -6.703 1.00 0.00 C ATOM 171 O TRP A 11 100.465 -0.548 -6.018 1.00 0.00 O ATOM 172 CB TRP A 11 98.319 0.354 -8.395 1.00 0.00 C ATOM 173 CG TRP A 11 98.617 1.585 -7.600 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.434 2.588 -7.997 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.124 1.958 -6.281 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.471 3.552 -7.005 1.00 0.00 N ATOM 177 CE2 TRP A 11 98.680 3.211 -5.930 1.00 0.00 C ATOM 178 CE3 TRP A 11 97.255 1.340 -5.364 1.00 0.00 C ATOM 179 CZ2 TRP A 11 98.387 3.827 -4.715 1.00 0.00 C ATOM 180 CZ3 TRP A 11 96.958 1.959 -4.140 1.00 0.00 C ATOM 181 CH2 TRP A 11 97.522 3.199 -3.818 1.00 0.00 C ATOM 0 H TRP A 11 98.296 -1.914 -9.482 1.00 0.00 H new ATOM 0 HA TRP A 11 100.382 -0.219 -8.551 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.221 0.603 -9.452 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.369 -0.077 -8.080 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.969 2.629 -8.934 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.018 4.411 -7.063 1.00 0.00 H new ATOM 0 HE3 TRP A 11 96.814 0.384 -5.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 98.826 4.783 -4.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 96.290 1.476 -3.442 1.00 0.00 H new ATOM 0 HH2 TRP A 11 97.288 3.670 -2.875 1.00 0.00 H new ATOM 192 N LEU A 12 98.661 -1.796 -6.197 1.00 0.00 N ATOM 193 CA LEU A 12 98.723 -2.169 -4.756 1.00 0.00 C ATOM 194 C LEU A 12 99.853 -3.174 -4.550 1.00 0.00 C ATOM 195 O LEU A 12 100.597 -3.098 -3.595 1.00 0.00 O ATOM 196 CB LEU A 12 97.395 -2.800 -4.328 1.00 0.00 C ATOM 197 CG LEU A 12 96.989 -2.252 -2.959 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.496 -0.813 -3.110 1.00 0.00 C ATOM 199 CD2 LEU A 12 95.866 -3.112 -2.378 1.00 0.00 C ATOM 0 H LEU A 12 97.886 -2.205 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 12 98.906 -1.278 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 12 96.622 -2.580 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.493 -3.885 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 12 97.850 -2.275 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.207 -0.423 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.294 -0.197 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.636 -0.791 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.576 -2.722 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.006 -3.089 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.214 -4.139 -2.269 1.00 0.00 H new ATOM 211 N GLU A 13 99.992 -4.116 -5.441 1.00 0.00 N ATOM 212 CA GLU A 13 101.081 -5.117 -5.291 1.00 0.00 C ATOM 213 C GLU A 13 102.407 -4.388 -5.065 1.00 0.00 C ATOM 214 O GLU A 13 103.213 -4.784 -4.244 1.00 0.00 O ATOM 215 CB GLU A 13 101.174 -5.963 -6.564 1.00 0.00 C ATOM 216 CG GLU A 13 102.478 -6.763 -6.555 1.00 0.00 C ATOM 217 CD GLU A 13 102.606 -7.543 -7.866 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.297 -6.977 -8.901 1.00 0.00 O ATOM 219 OE2 GLU A 13 103.013 -8.691 -7.811 1.00 0.00 O ATOM 0 H GLU A 13 99.400 -4.235 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 13 100.870 -5.765 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.321 -6.639 -6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.136 -5.320 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.328 -6.092 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.491 -7.449 -5.708 1.00 0.00 H new ATOM 226 N GLU A 14 102.639 -3.324 -5.786 1.00 0.00 N ATOM 227 CA GLU A 14 103.913 -2.569 -5.619 1.00 0.00 C ATOM 228 C GLU A 14 103.860 -1.738 -4.337 1.00 0.00 C ATOM 229 O GLU A 14 104.744 -1.814 -3.509 1.00 0.00 O ATOM 230 CB GLU A 14 104.120 -1.640 -6.814 1.00 0.00 C ATOM 231 CG GLU A 14 105.540 -1.067 -6.774 1.00 0.00 C ATOM 232 CD GLU A 14 105.554 0.313 -7.434 1.00 0.00 C ATOM 233 OE1 GLU A 14 105.362 0.374 -8.636 1.00 0.00 O ATOM 234 OE2 GLU A 14 105.758 1.284 -6.725 1.00 0.00 O ATOM 0 H GLU A 14 102.000 -2.945 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 14 104.740 -3.276 -5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.962 -2.186 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 14 103.389 -0.832 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.884 -0.992 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 14 106.228 -1.736 -7.291 1.00 0.00 H new ATOM 241 N GLN A 15 102.837 -0.944 -4.165 1.00 0.00 N ATOM 242 CA GLN A 15 102.744 -0.112 -2.931 1.00 0.00 C ATOM 243 C GLN A 15 103.157 -0.955 -1.725 1.00 0.00 C ATOM 244 O GLN A 15 104.071 -0.616 -0.999 1.00 0.00 O ATOM 245 CB GLN A 15 101.305 0.371 -2.743 1.00 0.00 C ATOM 246 CG GLN A 15 100.984 1.436 -3.792 1.00 0.00 C ATOM 247 CD GLN A 15 101.901 2.645 -3.589 1.00 0.00 C ATOM 248 OE1 GLN A 15 101.557 3.571 -2.883 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.063 2.673 -4.184 1.00 0.00 N ATOM 0 H GLN A 15 102.065 -0.836 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 15 103.405 0.750 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 15 100.614 -0.467 -2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.176 0.781 -1.741 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.119 1.028 -4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 15 99.940 1.740 -3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.351 1.895 -4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.682 3.473 -4.056 1.00 0.00 H new ATOM 258 N ILE A 16 102.493 -2.054 -1.516 1.00 0.00 N ATOM 259 CA ILE A 16 102.845 -2.931 -0.367 1.00 0.00 C ATOM 260 C ILE A 16 104.260 -3.488 -0.562 1.00 0.00 C ATOM 261 O ILE A 16 105.065 -3.485 0.349 1.00 0.00 O ATOM 262 CB ILE A 16 101.841 -4.082 -0.285 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.419 -3.524 -0.379 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.009 -4.816 1.044 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.568 -4.442 -1.258 1.00 0.00 C ATOM 0 H ILE A 16 101.719 -2.384 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 16 102.812 -2.355 0.558 1.00 0.00 H new ATOM 0 HB ILE A 16 102.018 -4.775 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 16 99.981 -3.447 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.439 -2.518 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.293 -5.636 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.021 -5.214 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 16 101.833 -4.123 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.555 -4.045 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.003 -4.496 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.538 -5.440 -0.820 1.00 0.00 H new ATOM 277 N ASN A 17 104.575 -3.963 -1.740 1.00 0.00 N ATOM 278 CA ASN A 17 105.943 -4.514 -1.977 1.00 0.00 C ATOM 279 C ASN A 17 106.986 -3.449 -1.639 1.00 0.00 C ATOM 280 O ASN A 17 107.608 -3.485 -0.596 1.00 0.00 O ATOM 281 CB ASN A 17 106.095 -4.923 -3.442 1.00 0.00 C ATOM 282 CG ASN A 17 106.132 -6.449 -3.543 1.00 0.00 C ATOM 283 OD1 ASN A 17 105.877 -7.139 -2.576 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.443 -7.008 -4.679 1.00 0.00 N ATOM 0 H ASN A 17 103.948 -3.993 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 17 106.090 -5.388 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.265 -4.529 -4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.009 -4.498 -3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.472 -8.025 -4.756 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.657 -6.429 -5.491 1.00 0.00 H new ATOM 291 N SER A 18 107.181 -2.500 -2.516 1.00 0.00 N ATOM 292 CA SER A 18 108.180 -1.428 -2.245 1.00 0.00 C ATOM 293 C SER A 18 108.025 -0.971 -0.797 1.00 0.00 C ATOM 294 O SER A 18 108.987 -0.666 -0.120 1.00 0.00 O ATOM 295 CB SER A 18 107.935 -0.247 -3.185 1.00 0.00 C ATOM 296 OG SER A 18 108.893 0.771 -2.921 1.00 0.00 O ATOM 0 H SER A 18 106.691 -2.422 -3.407 1.00 0.00 H new ATOM 0 HA SER A 18 109.188 -1.809 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 18 108.009 -0.572 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 18 106.926 0.142 -3.044 1.00 0.00 H new ATOM 0 HG SER A 18 108.739 1.529 -3.523 1.00 0.00 H new ATOM 302 N ASN A 19 106.814 -0.933 -0.318 1.00 0.00 N ATOM 303 CA ASN A 19 106.582 -0.510 1.090 1.00 0.00 C ATOM 304 C ASN A 19 106.694 1.008 1.194 1.00 0.00 C ATOM 305 O ASN A 19 107.677 1.538 1.671 1.00 0.00 O ATOM 306 CB ASN A 19 107.626 -1.162 1.999 1.00 0.00 C ATOM 307 CG ASN A 19 106.929 -1.830 3.186 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.762 -1.225 4.225 1.00 0.00 O ATOM 309 ND2 ASN A 19 106.511 -3.062 3.074 1.00 0.00 N ATOM 0 H ASN A 19 105.973 -1.177 -0.842 1.00 0.00 H new ATOM 0 HA ASN A 19 105.585 -0.821 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.200 -1.900 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.332 -0.412 2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 19 106.044 -3.516 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 19 106.651 -3.571 2.201 1.00 0.00 H new ATOM 316 N THR A 20 105.691 1.714 0.754 1.00 0.00 N ATOM 317 CA THR A 20 105.738 3.198 0.833 1.00 0.00 C ATOM 318 C THR A 20 105.152 3.649 2.167 1.00 0.00 C ATOM 319 O THR A 20 105.527 4.668 2.711 1.00 0.00 O ATOM 320 CB THR A 20 104.920 3.799 -0.308 1.00 0.00 C ATOM 321 OG1 THR A 20 104.346 2.754 -1.083 1.00 0.00 O ATOM 322 CG2 THR A 20 105.835 4.644 -1.187 1.00 0.00 C ATOM 0 H THR A 20 104.841 1.327 0.343 1.00 0.00 H new ATOM 0 HA THR A 20 106.772 3.534 0.752 1.00 0.00 H new ATOM 0 HB THR A 20 104.124 4.423 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 20 103.499 3.060 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 20 105.257 5.076 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.275 5.444 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 20 106.628 4.017 -1.595 1.00 0.00 H new ATOM 330 N ILE A 21 104.233 2.894 2.696 1.00 0.00 N ATOM 331 CA ILE A 21 103.620 3.276 3.992 1.00 0.00 C ATOM 332 C ILE A 21 103.864 2.152 5.011 1.00 0.00 C ATOM 333 O ILE A 21 103.640 0.994 4.713 1.00 0.00 O ATOM 334 CB ILE A 21 102.116 3.479 3.794 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.881 4.640 2.824 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.459 3.801 5.134 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.663 4.092 1.412 1.00 0.00 C ATOM 0 H ILE A 21 103.881 2.029 2.286 1.00 0.00 H new ATOM 0 HA ILE A 21 104.064 4.201 4.359 1.00 0.00 H new ATOM 0 HB ILE A 21 101.681 2.566 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 21 101.013 5.220 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 21 102.736 5.315 2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.388 3.945 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.624 2.976 5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.895 4.712 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.496 4.919 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 21 102.544 3.531 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 21 100.794 3.434 1.407 1.00 0.00 H new ATOM 349 N PRO A 22 104.319 2.520 6.184 1.00 0.00 N ATOM 350 CA PRO A 22 104.607 1.550 7.256 1.00 0.00 C ATOM 351 C PRO A 22 103.308 1.003 7.846 1.00 0.00 C ATOM 352 O PRO A 22 103.260 -0.102 8.350 1.00 0.00 O ATOM 353 CB PRO A 22 105.391 2.370 8.286 1.00 0.00 C ATOM 354 CG PRO A 22 105.037 3.851 8.021 1.00 0.00 C ATOM 355 CD PRO A 22 104.569 3.929 6.556 1.00 0.00 C ATOM 0 HA PRO A 22 105.164 0.679 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 22 105.120 2.081 9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.463 2.202 8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 22 104.253 4.190 8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.902 4.493 8.187 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.668 4.534 6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.328 4.381 5.918 1.00 0.00 H new ATOM 363 N GLY A 23 102.252 1.761 7.776 1.00 0.00 N ATOM 364 CA GLY A 23 100.955 1.276 8.319 1.00 0.00 C ATOM 365 C GLY A 23 100.315 0.320 7.310 1.00 0.00 C ATOM 366 O GLY A 23 99.356 -0.365 7.609 1.00 0.00 O ATOM 0 H GLY A 23 102.231 2.695 7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.112 0.768 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.290 2.118 8.513 1.00 0.00 H new ATOM 370 N LEU A 24 100.841 0.268 6.114 1.00 0.00 N ATOM 371 CA LEU A 24 100.270 -0.643 5.083 1.00 0.00 C ATOM 372 C LEU A 24 101.402 -1.501 4.504 1.00 0.00 C ATOM 373 O LEU A 24 102.435 -0.993 4.115 1.00 0.00 O ATOM 374 CB LEU A 24 99.590 0.209 3.989 1.00 0.00 C ATOM 375 CG LEU A 24 100.056 -0.203 2.586 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.511 -1.593 2.256 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.535 0.805 1.559 1.00 0.00 C ATOM 0 H LEU A 24 101.643 0.819 5.808 1.00 0.00 H new ATOM 0 HA LEU A 24 99.521 -1.307 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.508 0.100 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.816 1.263 4.154 1.00 0.00 H new ATOM 0 HG LEU A 24 101.145 -0.223 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.842 -1.886 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.881 -2.312 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.422 -1.573 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 24 99.866 0.513 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.446 0.825 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.922 1.797 1.794 1.00 0.00 H new ATOM 389 N LYS A 25 101.223 -2.794 4.444 1.00 0.00 N ATOM 390 CA LYS A 25 102.320 -3.650 3.883 1.00 0.00 C ATOM 391 C LYS A 25 101.965 -5.143 3.933 1.00 0.00 C ATOM 392 O LYS A 25 100.933 -5.536 4.438 1.00 0.00 O ATOM 393 CB LYS A 25 103.606 -3.415 4.675 1.00 0.00 C ATOM 394 CG LYS A 25 103.272 -3.194 6.147 1.00 0.00 C ATOM 395 CD LYS A 25 102.473 -4.383 6.676 1.00 0.00 C ATOM 396 CE LYS A 25 102.755 -4.555 8.170 1.00 0.00 C ATOM 397 NZ LYS A 25 103.869 -5.529 8.357 1.00 0.00 N ATOM 0 H LYS A 25 100.386 -3.290 4.750 1.00 0.00 H new ATOM 0 HA LYS A 25 102.457 -3.370 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.272 -4.271 4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.135 -2.549 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.189 -3.074 6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.698 -2.275 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.408 -4.223 6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.746 -5.289 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 25 103.019 -3.595 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.860 -4.908 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.363 -5.325 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.484 -6.495 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.538 -5.448 7.565 1.00 0.00 H new ATOM 411 N TRP A 26 102.833 -5.974 3.398 1.00 0.00 N ATOM 412 CA TRP A 26 102.584 -7.450 3.390 1.00 0.00 C ATOM 413 C TRP A 26 102.960 -8.055 4.742 1.00 0.00 C ATOM 414 O TRP A 26 104.123 -8.257 5.027 1.00 0.00 O ATOM 415 CB TRP A 26 103.474 -8.134 2.338 1.00 0.00 C ATOM 416 CG TRP A 26 103.047 -7.785 0.950 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.766 -7.028 0.094 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.849 -8.188 0.233 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.070 -6.914 -1.097 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.881 -7.614 -1.059 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.742 -8.977 0.580 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.850 -7.819 -1.977 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.702 -9.189 -0.340 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.756 -8.610 -1.616 1.00 0.00 C ATOM 0 H TRP A 26 103.710 -5.687 2.963 1.00 0.00 H new ATOM 0 HA TRP A 26 101.528 -7.605 3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.511 -7.834 2.487 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.432 -9.215 2.472 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.728 -6.584 0.304 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.395 -6.379 -1.902 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.689 -9.425 1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.897 -7.370 -2.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.856 -9.801 -0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 26 98.953 -8.775 -2.319 1.00 0.00 H new ATOM 435 N LEU A 27 102.009 -8.397 5.563 1.00 0.00 N ATOM 436 CA LEU A 27 102.383 -9.038 6.852 1.00 0.00 C ATOM 437 C LEU A 27 103.089 -10.343 6.511 1.00 0.00 C ATOM 438 O LEU A 27 103.916 -10.841 7.250 1.00 0.00 O ATOM 439 CB LEU A 27 101.136 -9.333 7.685 1.00 0.00 C ATOM 440 CG LEU A 27 100.150 -8.172 7.576 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.069 -8.334 8.644 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.882 -6.844 7.800 1.00 0.00 C ATOM 0 H LEU A 27 101.010 -8.265 5.403 1.00 0.00 H new ATOM 0 HA LEU A 27 103.026 -8.378 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.666 -10.254 7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.413 -9.489 8.728 1.00 0.00 H new ATOM 0 HG LEU A 27 99.700 -8.172 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.361 -7.509 8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.544 -9.277 8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.530 -8.332 9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.173 -6.020 7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.334 -6.840 8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.661 -6.726 7.047 1.00 0.00 H new ATOM 454 N ASN A 28 102.767 -10.884 5.370 1.00 0.00 N ATOM 455 CA ASN A 28 103.400 -12.146 4.915 1.00 0.00 C ATOM 456 C ASN A 28 103.208 -12.252 3.400 1.00 0.00 C ATOM 457 O ASN A 28 102.312 -12.920 2.921 1.00 0.00 O ATOM 458 CB ASN A 28 102.740 -13.339 5.611 1.00 0.00 C ATOM 459 CG ASN A 28 103.604 -13.778 6.795 1.00 0.00 C ATOM 460 OD1 ASN A 28 103.106 -13.972 7.887 1.00 0.00 O ATOM 461 ND2 ASN A 28 104.888 -13.943 6.627 1.00 0.00 N ATOM 0 H ASN A 28 102.079 -10.496 4.724 1.00 0.00 H new ATOM 0 HA ASN A 28 104.462 -12.148 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.742 -13.067 5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.620 -14.164 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 28 105.472 -14.234 7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 28 105.308 -13.781 5.712 1.00 0.00 H new ATOM 468 N LYS A 29 104.038 -11.585 2.642 1.00 0.00 N ATOM 469 CA LYS A 29 103.900 -11.644 1.163 1.00 0.00 C ATOM 470 C LYS A 29 104.040 -13.105 0.727 1.00 0.00 C ATOM 471 O LYS A 29 103.577 -13.498 -0.326 1.00 0.00 O ATOM 472 CB LYS A 29 104.982 -10.766 0.511 1.00 0.00 C ATOM 473 CG LYS A 29 105.115 -11.095 -0.981 1.00 0.00 C ATOM 474 CD LYS A 29 104.085 -10.291 -1.776 1.00 0.00 C ATOM 475 CE LYS A 29 102.899 -11.188 -2.131 1.00 0.00 C ATOM 476 NZ LYS A 29 103.219 -11.974 -3.355 1.00 0.00 N ATOM 0 H LYS A 29 104.803 -11.004 2.985 1.00 0.00 H new ATOM 0 HA LYS A 29 102.927 -11.267 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.728 -9.713 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.937 -10.925 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.121 -10.860 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 29 104.963 -12.162 -1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.745 -9.436 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.540 -9.895 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.677 -11.860 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.008 -10.582 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 102.704 -12.877 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 102.935 -11.435 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 104.242 -12.159 -3.391 1.00 0.00 H new ATOM 490 N GLU A 30 104.660 -13.917 1.541 1.00 0.00 N ATOM 491 CA GLU A 30 104.810 -15.355 1.185 1.00 0.00 C ATOM 492 C GLU A 30 103.422 -15.946 0.941 1.00 0.00 C ATOM 493 O GLU A 30 103.211 -16.703 0.015 1.00 0.00 O ATOM 494 CB GLU A 30 105.493 -16.100 2.335 1.00 0.00 C ATOM 495 CG GLU A 30 104.742 -15.829 3.642 1.00 0.00 C ATOM 496 CD GLU A 30 105.710 -15.945 4.821 1.00 0.00 C ATOM 497 OE1 GLU A 30 106.845 -15.523 4.676 1.00 0.00 O ATOM 498 OE2 GLU A 30 105.298 -16.454 5.851 1.00 0.00 O ATOM 0 H GLU A 30 105.068 -13.646 2.436 1.00 0.00 H new ATOM 0 HA GLU A 30 105.419 -15.455 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 30 105.510 -17.170 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 106.530 -15.777 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.298 -14.834 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 30 103.924 -16.540 3.758 1.00 0.00 H new ATOM 505 N LYS A 31 102.469 -15.596 1.763 1.00 0.00 N ATOM 506 CA LYS A 31 101.088 -16.123 1.576 1.00 0.00 C ATOM 507 C LYS A 31 100.225 -15.052 0.899 1.00 0.00 C ATOM 508 O LYS A 31 99.081 -15.284 0.569 1.00 0.00 O ATOM 509 CB LYS A 31 100.484 -16.484 2.935 1.00 0.00 C ATOM 510 CG LYS A 31 100.616 -17.990 3.169 1.00 0.00 C ATOM 511 CD LYS A 31 99.383 -18.702 2.612 1.00 0.00 C ATOM 512 CE LYS A 31 99.693 -20.186 2.421 1.00 0.00 C ATOM 513 NZ LYS A 31 99.153 -20.958 3.575 1.00 0.00 N ATOM 0 H LYS A 31 102.589 -14.967 2.557 1.00 0.00 H new ATOM 0 HA LYS A 31 101.122 -17.015 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.993 -15.936 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.435 -16.191 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 31 101.517 -18.367 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 31 100.718 -18.196 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 31 98.541 -18.580 3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.091 -18.256 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 31 99.251 -20.544 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 31 100.770 -20.336 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 99.364 -21.968 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 99.595 -20.622 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 98.123 -20.823 3.631 1.00 0.00 H new ATOM 527 N LYS A 32 100.776 -13.883 0.687 1.00 0.00 N ATOM 528 CA LYS A 32 100.010 -12.785 0.025 1.00 0.00 C ATOM 529 C LYS A 32 99.107 -12.073 1.036 1.00 0.00 C ATOM 530 O LYS A 32 97.951 -11.818 0.765 1.00 0.00 O ATOM 531 CB LYS A 32 99.146 -13.352 -1.107 1.00 0.00 C ATOM 532 CG LYS A 32 99.961 -14.353 -1.927 1.00 0.00 C ATOM 533 CD LYS A 32 99.665 -14.151 -3.415 1.00 0.00 C ATOM 534 CE LYS A 32 99.980 -12.706 -3.805 1.00 0.00 C ATOM 535 NZ LYS A 32 100.599 -12.680 -5.161 1.00 0.00 N ATOM 0 H LYS A 32 101.732 -13.641 0.947 1.00 0.00 H new ATOM 0 HA LYS A 32 100.725 -12.070 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.263 -13.839 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.794 -12.544 -1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 32 101.025 -14.217 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.712 -15.372 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.263 -14.839 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 32 98.619 -14.375 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 32 99.068 -12.109 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.657 -12.261 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 100.813 -11.697 -5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.478 -13.236 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 99.938 -13.089 -5.852 1.00 0.00 H new ATOM 549 N ILE A 33 99.616 -11.729 2.190 1.00 0.00 N ATOM 550 CA ILE A 33 98.755 -11.016 3.180 1.00 0.00 C ATOM 551 C ILE A 33 99.241 -9.582 3.349 1.00 0.00 C ATOM 552 O ILE A 33 100.379 -9.336 3.691 1.00 0.00 O ATOM 553 CB ILE A 33 98.796 -11.714 4.534 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.289 -13.150 4.387 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.891 -10.946 5.501 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.373 -14.009 3.734 1.00 0.00 C ATOM 0 H ILE A 33 100.575 -11.907 2.487 1.00 0.00 H new ATOM 0 HA ILE A 33 97.731 -11.022 2.807 1.00 0.00 H new ATOM 0 HB ILE A 33 99.817 -11.737 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 33 98.027 -13.556 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.383 -13.167 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.907 -11.431 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.250 -9.921 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.871 -10.938 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 33 99.012 -15.032 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.613 -13.606 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.267 -14.002 4.357 1.00 0.00 H new ATOM 568 N PHE A 34 98.382 -8.634 3.115 1.00 0.00 N ATOM 569 CA PHE A 34 98.786 -7.212 3.266 1.00 0.00 C ATOM 570 C PHE A 34 97.737 -6.467 4.089 1.00 0.00 C ATOM 571 O PHE A 34 96.559 -6.505 3.788 1.00 0.00 O ATOM 572 CB PHE A 34 98.904 -6.556 1.881 1.00 0.00 C ATOM 573 CG PHE A 34 97.526 -6.216 1.342 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.681 -7.230 0.864 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.095 -4.882 1.317 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.412 -6.906 0.365 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.827 -4.563 0.819 1.00 0.00 C ATOM 578 CZ PHE A 34 94.987 -5.573 0.343 1.00 0.00 C ATOM 0 H PHE A 34 97.415 -8.783 2.825 1.00 0.00 H new ATOM 0 HA PHE A 34 99.750 -7.166 3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.509 -5.652 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.415 -7.230 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.009 -8.259 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.743 -4.099 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.762 -7.686 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.497 -3.535 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.009 -5.325 -0.042 1.00 0.00 H new ATOM 588 N GLN A 35 98.145 -5.775 5.114 1.00 0.00 N ATOM 589 CA GLN A 35 97.150 -5.023 5.917 1.00 0.00 C ATOM 590 C GLN A 35 97.341 -3.535 5.685 1.00 0.00 C ATOM 591 O GLN A 35 98.448 -3.049 5.554 1.00 0.00 O ATOM 592 CB GLN A 35 97.307 -5.329 7.410 1.00 0.00 C ATOM 593 CG GLN A 35 98.655 -4.833 7.912 1.00 0.00 C ATOM 594 CD GLN A 35 98.529 -3.405 8.447 1.00 0.00 C ATOM 595 OE1 GLN A 35 97.644 -2.670 8.060 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.388 -2.979 9.331 1.00 0.00 N ATOM 0 H GLN A 35 99.113 -5.699 5.426 1.00 0.00 H new ATOM 0 HA GLN A 35 96.151 -5.327 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.504 -4.852 7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 35 97.221 -6.402 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.023 -5.492 8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 35 99.385 -4.863 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.132 -3.595 9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.316 -2.029 9.696 1.00 0.00 H new ATOM 605 N ILE A 36 96.265 -2.813 5.642 1.00 0.00 N ATOM 606 CA ILE A 36 96.352 -1.346 5.432 1.00 0.00 C ATOM 607 C ILE A 36 95.932 -0.679 6.751 1.00 0.00 C ATOM 608 O ILE A 36 95.210 -1.282 7.514 1.00 0.00 O ATOM 609 CB ILE A 36 95.385 -0.974 4.291 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.057 -1.224 2.941 1.00 0.00 C ATOM 611 CG2 ILE A 36 94.958 0.495 4.367 1.00 0.00 C ATOM 612 CD1 ILE A 36 94.984 -1.227 1.848 1.00 0.00 C ATOM 0 H ILE A 36 95.318 -3.178 5.744 1.00 0.00 H new ATOM 0 HA ILE A 36 97.356 -1.019 5.160 1.00 0.00 H new ATOM 0 HB ILE A 36 94.497 -1.598 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 36 96.798 -0.451 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.586 -2.177 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.277 0.719 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.455 0.679 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 36 95.838 1.134 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.452 -1.405 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.260 -2.016 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.476 -0.263 1.834 1.00 0.00 H new ATOM 624 N PRO A 37 96.400 0.527 6.993 1.00 0.00 N ATOM 625 CA PRO A 37 96.068 1.280 8.226 1.00 0.00 C ATOM 626 C PRO A 37 94.716 2.002 8.093 1.00 0.00 C ATOM 627 O PRO A 37 93.945 2.050 9.030 1.00 0.00 O ATOM 628 CB PRO A 37 97.207 2.279 8.348 1.00 0.00 C ATOM 629 CG PRO A 37 97.794 2.454 6.923 1.00 0.00 C ATOM 630 CD PRO A 37 97.325 1.241 6.091 1.00 0.00 C ATOM 0 HA PRO A 37 95.969 0.635 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.848 3.231 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 37 97.968 1.917 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.449 3.386 6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.882 2.501 6.957 1.00 0.00 H new ATOM 0 HD2 PRO A 37 96.826 1.555 5.174 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.164 0.610 5.798 1.00 0.00 H new ATOM 638 N TRP A 38 94.400 2.533 6.940 1.00 0.00 N ATOM 639 CA TRP A 38 93.072 3.206 6.777 1.00 0.00 C ATOM 640 C TRP A 38 92.989 4.442 7.668 1.00 0.00 C ATOM 641 O TRP A 38 91.951 4.752 8.219 1.00 0.00 O ATOM 642 CB TRP A 38 91.989 2.211 7.174 1.00 0.00 C ATOM 643 CG TRP A 38 92.303 0.935 6.486 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.166 0.008 6.930 1.00 0.00 C ATOM 645 CD2 TRP A 38 91.805 0.454 5.219 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.239 -1.016 6.004 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.407 -0.787 4.935 1.00 0.00 C ATOM 648 CE3 TRP A 38 90.894 0.971 4.304 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.117 -1.488 3.772 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.593 0.280 3.135 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.203 -0.951 2.864 1.00 0.00 C ATOM 0 H TRP A 38 94.995 2.532 6.112 1.00 0.00 H new ATOM 0 HA TRP A 38 92.940 3.523 5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 38 91.970 2.072 8.255 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.004 2.575 6.882 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.714 0.054 7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.835 -1.838 6.102 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.416 1.919 4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.593 -2.437 3.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 89.885 0.695 2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 38 90.967 -1.484 1.955 1.00 0.00 H new ATOM 662 N MET A 39 94.068 5.156 7.816 1.00 0.00 N ATOM 663 CA MET A 39 94.042 6.373 8.670 1.00 0.00 C ATOM 664 C MET A 39 93.750 5.981 10.121 1.00 0.00 C ATOM 665 O MET A 39 92.882 5.175 10.394 1.00 0.00 O ATOM 666 CB MET A 39 92.945 7.322 8.183 1.00 0.00 C ATOM 667 CG MET A 39 92.809 7.232 6.661 1.00 0.00 C ATOM 668 SD MET A 39 91.752 8.578 6.069 1.00 0.00 S ATOM 669 CE MET A 39 90.584 8.581 7.453 1.00 0.00 C ATOM 0 H MET A 39 94.967 4.949 7.382 1.00 0.00 H new ATOM 0 HA MET A 39 95.011 6.868 8.610 1.00 0.00 H new ATOM 0 HB2 MET A 39 91.997 7.067 8.656 1.00 0.00 H new ATOM 0 HB3 MET A 39 93.182 8.345 8.475 1.00 0.00 H new ATOM 0 HG2 MET A 39 93.791 7.294 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 39 92.382 6.269 6.380 1.00 0.00 H new ATOM 0 HE1 MET A 39 89.681 9.119 7.165 1.00 0.00 H new ATOM 0 HE2 MET A 39 90.328 7.554 7.715 1.00 0.00 H new ATOM 0 HE3 MET A 39 91.040 9.072 8.313 1.00 0.00 H new ATOM 679 N HIS A 40 94.459 6.557 11.050 1.00 0.00 N ATOM 680 CA HIS A 40 94.220 6.236 12.484 1.00 0.00 C ATOM 681 C HIS A 40 94.161 7.541 13.275 1.00 0.00 C ATOM 682 O HIS A 40 94.908 7.748 14.210 1.00 0.00 O ATOM 683 CB HIS A 40 95.359 5.365 13.016 1.00 0.00 C ATOM 684 CG HIS A 40 94.801 4.057 13.505 1.00 0.00 C ATOM 685 ND1 HIS A 40 94.524 3.826 14.844 1.00 0.00 N ATOM 686 CD2 HIS A 40 94.453 2.904 12.845 1.00 0.00 C ATOM 687 CE1 HIS A 40 94.033 2.576 14.945 1.00 0.00 C ATOM 688 NE2 HIS A 40 93.969 1.971 13.756 1.00 0.00 N ATOM 0 H HIS A 40 95.197 7.239 10.877 1.00 0.00 H new ATOM 0 HA HIS A 40 93.281 5.693 12.590 1.00 0.00 H new ATOM 0 HB2 HIS A 40 96.094 5.189 12.231 1.00 0.00 H new ATOM 0 HB3 HIS A 40 95.876 5.878 13.827 1.00 0.00 H new ATOM 0 HD2 HIS A 40 94.542 2.746 11.780 1.00 0.00 H new ATOM 0 HE1 HIS A 40 93.728 2.118 15.875 1.00 0.00 H new ATOM 0 HE2 HIS A 40 93.637 1.027 13.558 1.00 0.00 H new ATOM 696 N ALA A 41 93.283 8.428 12.898 1.00 0.00 N ATOM 697 CA ALA A 41 93.182 9.727 13.618 1.00 0.00 C ATOM 698 C ALA A 41 91.792 10.325 13.404 1.00 0.00 C ATOM 699 O ALA A 41 90.992 10.405 14.314 1.00 0.00 O ATOM 700 CB ALA A 41 94.232 10.689 13.064 1.00 0.00 C ATOM 0 H ALA A 41 92.631 8.309 12.122 1.00 0.00 H new ATOM 0 HA ALA A 41 93.349 9.567 14.683 1.00 0.00 H new ATOM 0 HB1 ALA A 41 94.164 11.643 13.587 1.00 0.00 H new ATOM 0 HB2 ALA A 41 95.226 10.266 13.209 1.00 0.00 H new ATOM 0 HB3 ALA A 41 94.057 10.846 12.000 1.00 0.00 H new ATOM 706 N ALA A 42 91.505 10.749 12.205 1.00 0.00 N ATOM 707 CA ALA A 42 90.170 11.349 11.925 1.00 0.00 C ATOM 708 C ALA A 42 89.268 10.310 11.264 1.00 0.00 C ATOM 709 O ALA A 42 89.600 9.145 11.178 1.00 0.00 O ATOM 710 CB ALA A 42 90.339 12.539 10.981 1.00 0.00 C ATOM 0 H ALA A 42 92.138 10.706 11.406 1.00 0.00 H new ATOM 0 HA ALA A 42 89.719 11.679 12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 42 89.364 12.980 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 42 90.983 13.284 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 42 90.790 12.202 10.048 1.00 0.00 H new ATOM 716 N ARG A 43 88.128 10.728 10.787 1.00 0.00 N ATOM 717 CA ARG A 43 87.208 9.768 10.122 1.00 0.00 C ATOM 718 C ARG A 43 87.321 9.932 8.607 1.00 0.00 C ATOM 719 O ARG A 43 86.825 9.121 7.848 1.00 0.00 O ATOM 720 CB ARG A 43 85.768 10.050 10.557 1.00 0.00 C ATOM 721 CG ARG A 43 85.019 8.726 10.719 1.00 0.00 C ATOM 722 CD ARG A 43 83.545 9.005 11.011 1.00 0.00 C ATOM 723 NE ARG A 43 82.698 8.335 9.984 1.00 0.00 N ATOM 724 CZ ARG A 43 81.397 8.422 10.050 1.00 0.00 C ATOM 725 NH1 ARG A 43 80.831 9.096 11.016 1.00 0.00 N ATOM 726 NH2 ARG A 43 80.657 7.832 9.149 1.00 0.00 N ATOM 0 H ARG A 43 87.796 11.691 10.830 1.00 0.00 H new ATOM 0 HA ARG A 43 87.477 8.750 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 43 85.762 10.602 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 43 85.268 10.675 9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 43 85.114 8.129 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 43 85.458 8.145 11.530 1.00 0.00 H new ATOM 0 HD2 ARG A 43 83.285 8.641 12.005 1.00 0.00 H new ATOM 0 HD3 ARG A 43 83.360 10.079 11.006 1.00 0.00 H new ATOM 0 HE ARG A 43 83.135 7.808 9.228 1.00 0.00 H new ATOM 0 HH11 ARG A 43 81.406 9.556 11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 43 79.814 9.162 11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 43 81.096 7.304 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 43 79.641 7.900 9.200 1.00 0.00 H new ATOM 740 N HIS A 44 87.969 10.973 8.156 1.00 0.00 N ATOM 741 CA HIS A 44 88.105 11.174 6.687 1.00 0.00 C ATOM 742 C HIS A 44 89.402 11.916 6.368 1.00 0.00 C ATOM 743 O HIS A 44 90.121 11.566 5.454 1.00 0.00 O ATOM 744 CB HIS A 44 86.922 11.984 6.171 1.00 0.00 C ATOM 745 CG HIS A 44 86.219 11.192 5.108 1.00 0.00 C ATOM 746 ND1 HIS A 44 86.165 11.604 3.787 1.00 0.00 N ATOM 747 CD2 HIS A 44 85.551 9.995 5.157 1.00 0.00 C ATOM 748 CE1 HIS A 44 85.485 10.669 3.100 1.00 0.00 C ATOM 749 NE2 HIS A 44 85.088 9.666 3.887 1.00 0.00 N ATOM 0 H HIS A 44 88.407 11.687 8.738 1.00 0.00 H new ATOM 0 HA HIS A 44 88.126 10.198 6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 44 86.236 12.212 6.987 1.00 0.00 H new ATOM 0 HB3 HIS A 44 87.265 12.937 5.767 1.00 0.00 H new ATOM 0 HD2 HIS A 44 85.407 9.399 6.046 1.00 0.00 H new ATOM 0 HE1 HIS A 44 85.284 10.723 2.040 1.00 0.00 H new ATOM 0 HE2 HIS A 44 84.559 8.837 3.616 1.00 0.00 H new ATOM 757 N GLY A 45 89.702 12.940 7.112 1.00 0.00 N ATOM 758 CA GLY A 45 90.948 13.714 6.850 1.00 0.00 C ATOM 759 C GLY A 45 91.305 14.538 8.086 1.00 0.00 C ATOM 760 O GLY A 45 91.388 14.023 9.179 1.00 0.00 O ATOM 0 H GLY A 45 89.138 13.277 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 45 91.765 13.036 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 45 90.808 14.370 5.991 1.00 0.00 H new ATOM 764 N TRP A 46 91.514 15.818 7.921 1.00 0.00 N ATOM 765 CA TRP A 46 91.869 16.687 9.090 1.00 0.00 C ATOM 766 C TRP A 46 92.799 15.933 10.033 1.00 0.00 C ATOM 767 O TRP A 46 92.803 16.163 11.226 1.00 0.00 O ATOM 768 CB TRP A 46 90.602 17.081 9.861 1.00 0.00 C ATOM 769 CG TRP A 46 89.511 16.104 9.566 1.00 0.00 C ATOM 770 CD1 TRP A 46 89.144 15.073 10.360 1.00 0.00 C ATOM 771 CD2 TRP A 46 88.648 16.052 8.403 1.00 0.00 C ATOM 772 NE1 TRP A 46 88.116 14.382 9.741 1.00 0.00 N ATOM 773 CE2 TRP A 46 87.766 14.959 8.538 1.00 0.00 C ATOM 774 CE3 TRP A 46 88.552 16.847 7.257 1.00 0.00 C ATOM 775 CZ2 TRP A 46 86.815 14.666 7.562 1.00 0.00 C ATOM 776 CZ3 TRP A 46 87.597 16.560 6.268 1.00 0.00 C ATOM 777 CH2 TRP A 46 86.728 15.471 6.423 1.00 0.00 C ATOM 0 H TRP A 46 91.455 16.303 7.026 1.00 0.00 H new ATOM 0 HA TRP A 46 92.364 17.583 8.716 1.00 0.00 H new ATOM 0 HB2 TRP A 46 90.807 17.100 10.931 1.00 0.00 H new ATOM 0 HB3 TRP A 46 90.290 18.086 9.578 1.00 0.00 H new ATOM 0 HD1 TRP A 46 89.580 14.829 11.317 1.00 0.00 H new ATOM 0 HE1 TRP A 46 87.672 13.549 10.127 1.00 0.00 H new ATOM 0 HE3 TRP A 46 89.217 17.688 7.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 86.151 13.823 7.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 87.532 17.180 5.386 1.00 0.00 H new ATOM 0 HH2 TRP A 46 85.992 15.254 5.663 1.00 0.00 H new ATOM 788 N ASP A 47 93.578 15.034 9.502 1.00 0.00 N ATOM 789 CA ASP A 47 94.512 14.234 10.350 1.00 0.00 C ATOM 790 C ASP A 47 94.800 12.908 9.649 1.00 0.00 C ATOM 791 O ASP A 47 94.612 11.846 10.210 1.00 0.00 O ATOM 792 CB ASP A 47 93.861 13.944 11.705 1.00 0.00 C ATOM 793 CG ASP A 47 94.448 14.880 12.764 1.00 0.00 C ATOM 794 OD1 ASP A 47 95.656 14.864 12.937 1.00 0.00 O ATOM 795 OD2 ASP A 47 93.680 15.598 13.382 1.00 0.00 O ATOM 0 H ASP A 47 93.610 14.815 8.506 1.00 0.00 H new ATOM 0 HA ASP A 47 95.435 14.793 10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 47 92.782 14.083 11.639 1.00 0.00 H new ATOM 0 HB3 ASP A 47 94.032 12.905 11.988 1.00 0.00 H new ATOM 800 N VAL A 48 95.237 12.953 8.423 1.00 0.00 N ATOM 801 CA VAL A 48 95.514 11.687 7.694 1.00 0.00 C ATOM 802 C VAL A 48 96.809 11.817 6.892 1.00 0.00 C ATOM 803 O VAL A 48 96.792 12.025 5.695 1.00 0.00 O ATOM 804 CB VAL A 48 94.351 11.392 6.747 1.00 0.00 C ATOM 805 CG1 VAL A 48 94.586 10.053 6.049 1.00 0.00 C ATOM 806 CG2 VAL A 48 93.051 11.326 7.551 1.00 0.00 C ATOM 0 H VAL A 48 95.414 13.808 7.896 1.00 0.00 H new ATOM 0 HA VAL A 48 95.624 10.873 8.410 1.00 0.00 H new ATOM 0 HB VAL A 48 94.280 12.182 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.756 9.844 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 48 95.514 10.098 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 48 94.655 9.261 6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 48 92.218 11.116 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.124 10.535 8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.883 12.280 8.050 1.00 0.00 H new ATOM 816 N GLU A 49 97.933 11.686 7.540 1.00 0.00 N ATOM 817 CA GLU A 49 99.229 11.792 6.812 1.00 0.00 C ATOM 818 C GLU A 49 99.763 10.389 6.515 1.00 0.00 C ATOM 819 O GLU A 49 100.606 10.203 5.659 1.00 0.00 O ATOM 820 CB GLU A 49 100.245 12.547 7.671 1.00 0.00 C ATOM 821 CG GLU A 49 100.445 11.812 8.997 1.00 0.00 C ATOM 822 CD GLU A 49 100.208 12.778 10.157 1.00 0.00 C ATOM 823 OE1 GLU A 49 100.916 13.769 10.229 1.00 0.00 O ATOM 824 OE2 GLU A 49 99.322 12.513 10.953 1.00 0.00 O ATOM 0 H GLU A 49 98.011 11.510 8.542 1.00 0.00 H new ATOM 0 HA GLU A 49 99.072 12.332 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.195 12.628 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 49 99.896 13.563 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 49 99.757 10.970 9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 49 101.454 11.404 9.050 1.00 0.00 H new ATOM 831 N LYS A 50 99.279 9.400 7.217 1.00 0.00 N ATOM 832 CA LYS A 50 99.757 8.010 6.976 1.00 0.00 C ATOM 833 C LYS A 50 99.117 7.461 5.701 1.00 0.00 C ATOM 834 O LYS A 50 99.759 6.808 4.901 1.00 0.00 O ATOM 835 CB LYS A 50 99.365 7.122 8.159 1.00 0.00 C ATOM 836 CG LYS A 50 100.080 7.604 9.422 1.00 0.00 C ATOM 837 CD LYS A 50 100.135 6.465 10.443 1.00 0.00 C ATOM 838 CE LYS A 50 100.469 7.032 11.823 1.00 0.00 C ATOM 839 NZ LYS A 50 99.987 6.093 12.874 1.00 0.00 N ATOM 0 H LYS A 50 98.573 9.496 7.947 1.00 0.00 H new ATOM 0 HA LYS A 50 100.841 8.017 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.285 7.151 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.630 6.085 7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.089 7.936 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.556 8.461 9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 50 99.178 5.944 10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 50 100.887 5.733 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 50 101.545 7.179 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.001 8.008 11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 100.214 6.477 13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.957 5.974 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.453 5.171 12.756 1.00 0.00 H new ATOM 853 N ASP A 51 97.856 7.721 5.511 1.00 0.00 N ATOM 854 CA ASP A 51 97.164 7.218 4.290 1.00 0.00 C ATOM 855 C ASP A 51 97.168 8.313 3.225 1.00 0.00 C ATOM 856 O ASP A 51 96.289 8.391 2.397 1.00 0.00 O ATOM 857 CB ASP A 51 95.721 6.855 4.639 1.00 0.00 C ATOM 858 CG ASP A 51 95.508 5.352 4.449 1.00 0.00 C ATOM 859 OD1 ASP A 51 96.494 4.646 4.320 1.00 0.00 O ATOM 860 OD2 ASP A 51 94.363 4.933 4.438 1.00 0.00 O ATOM 0 H ASP A 51 97.271 8.261 6.149 1.00 0.00 H new ATOM 0 HA ASP A 51 97.680 6.335 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.504 7.136 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.032 7.413 4.005 1.00 0.00 H new ATOM 865 N ALA A 52 98.143 9.171 3.256 1.00 0.00 N ATOM 866 CA ALA A 52 98.199 10.276 2.259 1.00 0.00 C ATOM 867 C ALA A 52 98.985 9.874 0.995 1.00 0.00 C ATOM 868 O ALA A 52 98.600 10.248 -0.094 1.00 0.00 O ATOM 869 CB ALA A 52 98.869 11.492 2.896 1.00 0.00 C ATOM 0 H ALA A 52 98.908 9.157 3.930 1.00 0.00 H new ATOM 0 HA ALA A 52 97.177 10.508 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 52 98.913 12.305 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 52 98.293 11.811 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.880 11.229 3.208 1.00 0.00 H new ATOM 875 N PRO A 53 100.081 9.166 1.160 1.00 0.00 N ATOM 876 CA PRO A 53 100.932 8.768 0.021 1.00 0.00 C ATOM 877 C PRO A 53 100.372 7.564 -0.751 1.00 0.00 C ATOM 878 O PRO A 53 101.101 6.666 -1.123 1.00 0.00 O ATOM 879 CB PRO A 53 102.262 8.399 0.680 1.00 0.00 C ATOM 880 CG PRO A 53 101.940 8.054 2.152 1.00 0.00 C ATOM 881 CD PRO A 53 100.583 8.706 2.472 1.00 0.00 C ATOM 0 HA PRO A 53 101.007 9.566 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.724 7.551 0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.968 9.228 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.894 6.974 2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.717 8.431 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.898 7.994 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.695 9.537 3.169 1.00 0.00 H new ATOM 889 N LEU A 54 99.102 7.553 -1.025 1.00 0.00 N ATOM 890 CA LEU A 54 98.512 6.429 -1.802 1.00 0.00 C ATOM 891 C LEU A 54 97.022 6.707 -1.988 1.00 0.00 C ATOM 892 O LEU A 54 96.449 6.435 -3.024 1.00 0.00 O ATOM 893 CB LEU A 54 98.779 5.076 -1.115 1.00 0.00 C ATOM 894 CG LEU A 54 97.826 4.787 0.050 1.00 0.00 C ATOM 895 CD1 LEU A 54 97.864 5.914 1.086 1.00 0.00 C ATOM 896 CD2 LEU A 54 96.395 4.573 -0.460 1.00 0.00 C ATOM 0 H LEU A 54 98.441 8.277 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 54 98.983 6.361 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 54 98.691 4.279 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 54 99.805 5.059 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 54 98.160 3.870 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 54 97.178 5.682 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 54 98.876 6.012 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 54 97.565 6.851 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.735 4.369 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 54 96.056 5.470 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 54 96.376 3.728 -1.148 1.00 0.00 H new ATOM 908 N PHE A 55 96.402 7.312 -1.015 1.00 0.00 N ATOM 909 CA PHE A 55 94.975 7.682 -1.166 1.00 0.00 C ATOM 910 C PHE A 55 95.011 9.013 -1.912 1.00 0.00 C ATOM 911 O PHE A 55 94.186 9.308 -2.754 1.00 0.00 O ATOM 912 CB PHE A 55 94.314 7.795 0.222 1.00 0.00 C ATOM 913 CG PHE A 55 93.711 9.163 0.438 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.539 10.256 0.716 1.00 0.00 C ATOM 915 CD2 PHE A 55 92.326 9.336 0.356 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.982 11.522 0.911 1.00 0.00 C ATOM 917 CE2 PHE A 55 91.767 10.602 0.552 1.00 0.00 C ATOM 918 CZ PHE A 55 92.595 11.698 0.829 1.00 0.00 C ATOM 0 H PHE A 55 96.825 7.565 -0.122 1.00 0.00 H new ATOM 0 HA PHE A 55 94.384 6.945 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.539 7.035 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 55 95.055 7.596 0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.609 10.121 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.688 8.491 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 55 94.621 12.366 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.697 10.735 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 55 92.164 12.677 0.979 1.00 0.00 H new ATOM 928 N ARG A 56 96.037 9.780 -1.640 1.00 0.00 N ATOM 929 CA ARG A 56 96.241 11.060 -2.357 1.00 0.00 C ATOM 930 C ARG A 56 96.699 10.695 -3.768 1.00 0.00 C ATOM 931 O ARG A 56 96.584 11.461 -4.704 1.00 0.00 O ATOM 932 CB ARG A 56 97.346 11.861 -1.657 1.00 0.00 C ATOM 933 CG ARG A 56 97.225 13.339 -2.032 1.00 0.00 C ATOM 934 CD ARG A 56 97.967 13.593 -3.345 1.00 0.00 C ATOM 935 NE ARG A 56 99.184 14.408 -3.075 1.00 0.00 N ATOM 936 CZ ARG A 56 99.073 15.676 -2.784 1.00 0.00 C ATOM 937 NH1 ARG A 56 97.894 16.237 -2.729 1.00 0.00 N ATOM 938 NH2 ARG A 56 100.142 16.385 -2.543 1.00 0.00 N ATOM 0 H ARG A 56 96.747 9.564 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 56 95.331 11.659 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.266 11.742 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.325 11.481 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.175 13.614 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 56 97.641 13.962 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 56 98.245 12.646 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 56 97.317 14.113 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 56 100.106 13.975 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 56 97.057 15.684 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 56 97.811 17.228 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 56 101.063 15.948 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 56 100.056 17.376 -2.316 1.00 0.00 H new ATOM 952 N ASN A 57 97.213 9.500 -3.903 1.00 0.00 N ATOM 953 CA ASN A 57 97.693 8.997 -5.208 1.00 0.00 C ATOM 954 C ASN A 57 96.483 8.783 -6.138 1.00 0.00 C ATOM 955 O ASN A 57 96.629 8.524 -7.316 1.00 0.00 O ATOM 956 CB ASN A 57 98.428 7.674 -4.927 1.00 0.00 C ATOM 957 CG ASN A 57 98.174 6.661 -6.035 1.00 0.00 C ATOM 958 OD1 ASN A 57 98.887 6.612 -7.015 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.179 5.841 -5.898 1.00 0.00 N ATOM 0 H ASN A 57 97.319 8.838 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 57 98.367 9.698 -5.700 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.498 7.860 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 57 98.096 7.265 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 57 96.989 5.145 -6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.586 5.892 -5.069 1.00 0.00 H new ATOM 966 N TRP A 58 95.291 8.892 -5.607 1.00 0.00 N ATOM 967 CA TRP A 58 94.066 8.699 -6.440 1.00 0.00 C ATOM 968 C TRP A 58 93.984 9.793 -7.508 1.00 0.00 C ATOM 969 O TRP A 58 94.275 9.573 -8.666 1.00 0.00 O ATOM 970 CB TRP A 58 92.828 8.811 -5.545 1.00 0.00 C ATOM 971 CG TRP A 58 92.366 7.458 -5.093 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.141 7.200 -4.577 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.081 6.184 -5.097 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.058 5.857 -4.264 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.226 5.190 -4.565 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.370 5.795 -5.503 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.632 3.865 -4.441 1.00 0.00 C ATOM 978 CZ3 TRP A 58 94.781 4.456 -5.377 1.00 0.00 C ATOM 979 CH2 TRP A 58 93.914 3.496 -4.847 1.00 0.00 C ATOM 0 H TRP A 58 95.114 9.108 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 58 94.111 7.719 -6.915 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.057 9.429 -4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.026 9.310 -6.089 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.355 7.927 -4.433 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.233 5.413 -3.860 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.048 6.529 -5.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 91.958 3.126 -4.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 95.773 4.167 -5.692 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.237 2.470 -4.752 1.00 0.00 H new ATOM 990 N ALA A 59 93.566 10.966 -7.110 1.00 0.00 N ATOM 991 CA ALA A 59 93.424 12.106 -8.065 1.00 0.00 C ATOM 992 C ALA A 59 94.510 12.062 -9.143 1.00 0.00 C ATOM 993 O ALA A 59 94.238 12.238 -10.314 1.00 0.00 O ATOM 994 CB ALA A 59 93.535 13.423 -7.292 1.00 0.00 C ATOM 0 H ALA A 59 93.313 11.186 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 59 92.452 12.030 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.432 14.260 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.746 13.472 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.506 13.475 -6.800 1.00 0.00 H new ATOM 1000 N ILE A 60 95.738 11.845 -8.765 1.00 0.00 N ATOM 1001 CA ILE A 60 96.827 11.812 -9.782 1.00 0.00 C ATOM 1002 C ILE A 60 96.811 10.476 -10.529 1.00 0.00 C ATOM 1003 O ILE A 60 96.438 10.408 -11.684 1.00 0.00 O ATOM 1004 CB ILE A 60 98.178 12.000 -9.089 1.00 0.00 C ATOM 1005 CG1 ILE A 60 98.030 13.025 -7.962 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.203 12.507 -10.105 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.313 14.268 -8.493 1.00 0.00 C ATOM 0 H ILE A 60 96.035 11.690 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 60 96.670 12.618 -10.499 1.00 0.00 H new ATOM 0 HB ILE A 60 98.513 11.049 -8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.467 12.593 -7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 60 99.011 13.297 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.167 12.642 -9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.305 11.781 -10.912 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.868 13.460 -10.515 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.208 14.998 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.894 14.704 -9.306 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.326 13.989 -8.862 1.00 0.00 H new ATOM 1019 N HIS A 61 97.219 9.416 -9.887 1.00 0.00 N ATOM 1020 CA HIS A 61 97.235 8.087 -10.565 1.00 0.00 C ATOM 1021 C HIS A 61 95.958 7.902 -11.388 1.00 0.00 C ATOM 1022 O HIS A 61 95.974 7.997 -12.599 1.00 0.00 O ATOM 1023 CB HIS A 61 97.327 6.980 -9.517 1.00 0.00 C ATOM 1024 CG HIS A 61 97.491 5.652 -10.205 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.738 5.117 -10.488 1.00 0.00 N ATOM 1026 CD2 HIS A 61 96.576 4.739 -10.672 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.542 3.935 -11.100 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.243 3.656 -11.237 1.00 0.00 N ATOM 0 H HIS A 61 97.543 9.412 -8.920 1.00 0.00 H new ATOM 0 HA HIS A 61 98.099 8.038 -11.228 1.00 0.00 H new ATOM 0 HB2 HIS A 61 98.170 7.164 -8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.429 6.973 -8.899 1.00 0.00 H new ATOM 0 HD2 HIS A 61 95.503 4.846 -10.610 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.339 3.290 -11.439 1.00 0.00 H new ATOM 0 HE2 HIS A 61 96.829 2.827 -11.664 1.00 0.00 H new ATOM 1036 N THR A 62 94.855 7.630 -10.741 1.00 0.00 N ATOM 1037 CA THR A 62 93.578 7.431 -11.485 1.00 0.00 C ATOM 1038 C THR A 62 93.470 8.472 -12.602 1.00 0.00 C ATOM 1039 O THR A 62 93.072 8.170 -13.711 1.00 0.00 O ATOM 1040 CB THR A 62 92.396 7.585 -10.522 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.447 8.869 -9.916 1.00 0.00 O ATOM 1042 CG2 THR A 62 92.466 6.503 -9.441 1.00 0.00 C ATOM 0 H THR A 62 94.784 7.537 -9.728 1.00 0.00 H new ATOM 0 HA THR A 62 93.562 6.432 -11.920 1.00 0.00 H new ATOM 0 HB THR A 62 91.462 7.479 -11.074 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.377 9.094 -9.703 1.00 0.00 H new ATOM 0 HG21 THR A 62 91.624 6.616 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 62 92.425 5.519 -9.908 1.00 0.00 H new ATOM 0 HG23 THR A 62 93.399 6.603 -8.886 1.00 0.00 H new ATOM 1050 N GLY A 63 93.825 9.695 -12.322 1.00 0.00 N ATOM 1051 CA GLY A 63 93.748 10.755 -13.367 1.00 0.00 C ATOM 1052 C GLY A 63 92.388 11.452 -13.292 1.00 0.00 C ATOM 1053 O GLY A 63 91.854 11.900 -14.288 1.00 0.00 O ATOM 0 H GLY A 63 94.166 10.007 -11.413 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.548 11.481 -13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.889 10.317 -14.355 1.00 0.00 H new ATOM 1057 N LYS A 64 91.825 11.550 -12.120 1.00 0.00 N ATOM 1058 CA LYS A 64 90.501 12.221 -11.985 1.00 0.00 C ATOM 1059 C LYS A 64 90.679 13.554 -11.261 1.00 0.00 C ATOM 1060 O LYS A 64 89.864 13.942 -10.446 1.00 0.00 O ATOM 1061 CB LYS A 64 89.558 11.329 -11.178 1.00 0.00 C ATOM 1062 CG LYS A 64 89.628 9.899 -11.716 1.00 0.00 C ATOM 1063 CD LYS A 64 89.079 9.865 -13.142 1.00 0.00 C ATOM 1064 CE LYS A 64 88.458 8.496 -13.416 1.00 0.00 C ATOM 1065 NZ LYS A 64 88.196 8.354 -14.876 1.00 0.00 N ATOM 0 H LYS A 64 92.223 11.195 -11.251 1.00 0.00 H new ATOM 0 HA LYS A 64 90.080 12.396 -12.975 1.00 0.00 H new ATOM 0 HB2 LYS A 64 89.836 11.347 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.537 11.705 -11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 64 90.658 9.544 -11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.052 9.230 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.332 10.648 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 89.879 10.063 -13.856 1.00 0.00 H new ATOM 0 HE2 LYS A 64 89.128 7.706 -13.077 1.00 0.00 H new ATOM 0 HE3 LYS A 64 87.529 8.387 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.773 7.423 -15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 87.541 9.100 -15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 89.091 8.440 -15.399 1.00 0.00 H new ATOM 1079 N HIS A 65 91.738 14.257 -11.546 1.00 0.00 N ATOM 1080 CA HIS A 65 91.966 15.562 -10.867 1.00 0.00 C ATOM 1081 C HIS A 65 93.161 16.268 -11.510 1.00 0.00 C ATOM 1082 O HIS A 65 93.009 17.155 -12.327 1.00 0.00 O ATOM 1083 CB HIS A 65 92.251 15.309 -9.380 1.00 0.00 C ATOM 1084 CG HIS A 65 92.962 16.493 -8.780 1.00 0.00 C ATOM 1085 ND1 HIS A 65 92.381 17.748 -8.716 1.00 0.00 N ATOM 1086 CD2 HIS A 65 94.208 16.627 -8.218 1.00 0.00 C ATOM 1087 CE1 HIS A 65 93.267 18.576 -8.132 1.00 0.00 C ATOM 1088 NE2 HIS A 65 94.397 17.943 -7.809 1.00 0.00 N ATOM 0 H HIS A 65 92.455 13.985 -12.219 1.00 0.00 H new ATOM 0 HA HIS A 65 91.082 16.192 -10.967 1.00 0.00 H new ATOM 0 HB2 HIS A 65 91.317 15.128 -8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.861 14.413 -9.266 1.00 0.00 H new ATOM 0 HD1 HIS A 65 91.451 17.999 -9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.931 15.832 -8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 65 93.086 19.625 -7.947 1.00 0.00 H new ATOM 1096 N GLN A 66 94.350 15.890 -11.133 1.00 0.00 N ATOM 1097 CA GLN A 66 95.559 16.542 -11.701 1.00 0.00 C ATOM 1098 C GLN A 66 95.709 17.934 -11.074 1.00 0.00 C ATOM 1099 O GLN A 66 94.778 18.715 -11.086 1.00 0.00 O ATOM 1100 CB GLN A 66 95.405 16.670 -13.218 1.00 0.00 C ATOM 1101 CG GLN A 66 96.552 15.929 -13.907 1.00 0.00 C ATOM 1102 CD GLN A 66 96.219 15.735 -15.388 1.00 0.00 C ATOM 1103 OE1 GLN A 66 97.049 15.969 -16.243 1.00 0.00 O ATOM 1104 NE2 GLN A 66 95.032 15.315 -15.730 1.00 0.00 N ATOM 0 H GLN A 66 94.536 15.154 -10.452 1.00 0.00 H new ATOM 0 HA GLN A 66 96.444 15.943 -11.484 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.448 16.256 -13.534 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.409 17.721 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 66 97.478 16.494 -13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 66 96.713 14.962 -13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 66 94.334 15.118 -15.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 94.802 15.183 -16.715 1.00 0.00 H new ATOM 1113 N PRO A 67 96.873 18.205 -10.536 1.00 0.00 N ATOM 1114 CA PRO A 67 97.160 19.497 -9.891 1.00 0.00 C ATOM 1115 C PRO A 67 97.414 20.573 -10.949 1.00 0.00 C ATOM 1116 O PRO A 67 98.435 20.585 -11.606 1.00 0.00 O ATOM 1117 CB PRO A 67 98.420 19.217 -9.067 1.00 0.00 C ATOM 1118 CG PRO A 67 99.096 17.984 -9.710 1.00 0.00 C ATOM 1119 CD PRO A 67 98.008 17.259 -10.524 1.00 0.00 C ATOM 0 HA PRO A 67 96.338 19.867 -9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.090 20.077 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.167 19.022 -8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.923 18.287 -10.352 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.510 17.327 -8.945 1.00 0.00 H new ATOM 0 HD2 PRO A 67 98.350 17.034 -11.534 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.731 16.311 -10.063 1.00 0.00 H new ATOM 1127 N GLY A 68 96.483 21.470 -11.124 1.00 0.00 N ATOM 1128 CA GLY A 68 96.657 22.543 -12.143 1.00 0.00 C ATOM 1129 C GLY A 68 95.507 22.469 -13.147 1.00 0.00 C ATOM 1130 O GLY A 68 95.216 23.420 -13.847 1.00 0.00 O ATOM 0 H GLY A 68 95.607 21.506 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 68 96.673 23.520 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 68 97.612 22.424 -12.655 1.00 0.00 H new ATOM 1134 N ILE A 69 94.848 21.343 -13.220 1.00 0.00 N ATOM 1135 CA ILE A 69 93.712 21.199 -14.172 1.00 0.00 C ATOM 1136 C ILE A 69 92.410 21.048 -13.385 1.00 0.00 C ATOM 1137 O ILE A 69 91.407 21.654 -13.702 1.00 0.00 O ATOM 1138 CB ILE A 69 93.931 19.957 -15.038 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.099 20.204 -15.996 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.664 19.666 -15.846 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.712 18.864 -16.406 1.00 0.00 C ATOM 0 H ILE A 69 95.049 20.515 -12.659 1.00 0.00 H new ATOM 0 HA ILE A 69 93.653 22.081 -14.809 1.00 0.00 H new ATOM 0 HB ILE A 69 94.157 19.104 -14.398 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.753 20.743 -16.878 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.852 20.829 -15.516 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.821 18.781 -16.463 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.831 19.491 -15.166 1.00 0.00 H new ATOM 0 HG23 ILE A 69 92.437 20.519 -16.486 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.544 19.038 -17.088 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.073 18.342 -15.519 1.00 0.00 H new ATOM 0 HD13 ILE A 69 94.957 18.255 -16.903 1.00 0.00 H new ATOM 1153 N ASP A 70 92.420 20.243 -12.356 1.00 0.00 N ATOM 1154 CA ASP A 70 91.184 20.053 -11.546 1.00 0.00 C ATOM 1155 C ASP A 70 91.459 20.465 -10.097 1.00 0.00 C ATOM 1156 O ASP A 70 92.589 20.666 -9.703 1.00 0.00 O ATOM 1157 CB ASP A 70 90.770 18.582 -11.590 1.00 0.00 C ATOM 1158 CG ASP A 70 89.301 18.452 -11.187 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.453 18.708 -12.025 1.00 0.00 O ATOM 1160 OD2 ASP A 70 89.048 18.101 -10.047 1.00 0.00 O ATOM 0 H ASP A 70 93.231 19.710 -12.042 1.00 0.00 H new ATOM 0 HA ASP A 70 90.381 20.668 -11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.920 18.181 -12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 70 91.396 17.997 -10.916 1.00 0.00 H new ATOM 1165 N LYS A 71 90.432 20.593 -9.300 1.00 0.00 N ATOM 1166 CA LYS A 71 90.635 20.993 -7.878 1.00 0.00 C ATOM 1167 C LYS A 71 90.929 19.750 -7.033 1.00 0.00 C ATOM 1168 O LYS A 71 90.485 18.666 -7.353 1.00 0.00 O ATOM 1169 CB LYS A 71 89.371 21.679 -7.358 1.00 0.00 C ATOM 1170 CG LYS A 71 89.558 23.196 -7.410 1.00 0.00 C ATOM 1171 CD LYS A 71 90.071 23.599 -8.795 1.00 0.00 C ATOM 1172 CE LYS A 71 90.017 25.122 -8.935 1.00 0.00 C ATOM 1173 NZ LYS A 71 88.640 25.536 -9.328 1.00 0.00 N ATOM 0 H LYS A 71 89.461 20.438 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 71 91.477 21.682 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.511 21.387 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 71 89.166 21.362 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 71 88.613 23.697 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 71 90.264 23.513 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 71 91.093 23.246 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 71 89.465 23.130 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 71 90.296 25.595 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 71 90.736 25.455 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 88.603 26.571 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 88.391 25.095 -10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.964 25.231 -8.599 1.00 0.00 H new ATOM 1187 N PRO A 72 91.672 19.948 -5.974 1.00 0.00 N ATOM 1188 CA PRO A 72 92.052 18.859 -5.057 1.00 0.00 C ATOM 1189 C PRO A 72 90.878 18.479 -4.150 1.00 0.00 C ATOM 1190 O PRO A 72 90.648 19.088 -3.125 1.00 0.00 O ATOM 1191 CB PRO A 72 93.203 19.457 -4.245 1.00 0.00 C ATOM 1192 CG PRO A 72 93.053 20.994 -4.340 1.00 0.00 C ATOM 1193 CD PRO A 72 92.197 21.274 -5.591 1.00 0.00 C ATOM 0 HA PRO A 72 92.335 17.944 -5.577 1.00 0.00 H new ATOM 0 HB2 PRO A 72 93.159 19.126 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 72 94.166 19.136 -4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.575 21.393 -3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.028 21.475 -4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.390 21.974 -5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.793 21.713 -6.391 1.00 0.00 H new ATOM 1201 N ASP A 73 90.138 17.470 -4.521 1.00 0.00 N ATOM 1202 CA ASP A 73 88.982 17.041 -3.684 1.00 0.00 C ATOM 1203 C ASP A 73 89.323 15.715 -2.994 1.00 0.00 C ATOM 1204 O ASP A 73 89.324 14.677 -3.627 1.00 0.00 O ATOM 1205 CB ASP A 73 87.754 16.850 -4.576 1.00 0.00 C ATOM 1206 CG ASP A 73 87.108 18.208 -4.854 1.00 0.00 C ATOM 1207 OD1 ASP A 73 87.822 19.107 -5.268 1.00 0.00 O ATOM 1208 OD2 ASP A 73 85.912 18.325 -4.647 1.00 0.00 O ATOM 0 H ASP A 73 90.285 16.923 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 73 88.770 17.801 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 73 88.043 16.374 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 73 87.038 16.188 -4.090 1.00 0.00 H new ATOM 1213 N PRO A 74 89.605 15.783 -1.716 1.00 0.00 N ATOM 1214 CA PRO A 74 89.955 14.595 -0.918 1.00 0.00 C ATOM 1215 C PRO A 74 88.703 13.774 -0.593 1.00 0.00 C ATOM 1216 O PRO A 74 88.785 12.700 -0.031 1.00 0.00 O ATOM 1217 CB PRO A 74 90.573 15.183 0.354 1.00 0.00 C ATOM 1218 CG PRO A 74 90.040 16.629 0.468 1.00 0.00 C ATOM 1219 CD PRO A 74 89.599 17.047 -0.948 1.00 0.00 C ATOM 0 HA PRO A 74 90.631 13.916 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.294 14.596 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.661 15.173 0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.204 16.680 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 74 90.812 17.298 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.609 17.503 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.283 17.778 -1.379 1.00 0.00 H new ATOM 1227 N LYS A 75 87.547 14.266 -0.943 1.00 0.00 N ATOM 1228 CA LYS A 75 86.299 13.505 -0.652 1.00 0.00 C ATOM 1229 C LYS A 75 86.109 12.417 -1.713 1.00 0.00 C ATOM 1230 O LYS A 75 85.459 11.417 -1.479 1.00 0.00 O ATOM 1231 CB LYS A 75 85.100 14.454 -0.673 1.00 0.00 C ATOM 1232 CG LYS A 75 83.807 13.641 -0.584 1.00 0.00 C ATOM 1233 CD LYS A 75 82.747 14.442 0.174 1.00 0.00 C ATOM 1234 CE LYS A 75 81.799 13.480 0.893 1.00 0.00 C ATOM 1235 NZ LYS A 75 81.645 13.903 2.313 1.00 0.00 N ATOM 0 H LYS A 75 87.412 15.159 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 75 86.376 13.045 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.161 15.153 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 75 85.108 15.047 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 75 83.448 13.400 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.995 12.695 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.224 15.106 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.188 15.072 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 75 80.828 13.471 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 75 82.190 12.464 0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 81.001 13.249 2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 82.573 13.890 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 81.253 14.866 2.348 1.00 0.00 H new ATOM 1249 N THR A 76 86.670 12.604 -2.875 1.00 0.00 N ATOM 1250 CA THR A 76 86.523 11.581 -3.949 1.00 0.00 C ATOM 1251 C THR A 76 87.751 10.668 -3.956 1.00 0.00 C ATOM 1252 O THR A 76 87.765 9.635 -4.595 1.00 0.00 O ATOM 1253 CB THR A 76 86.402 12.281 -5.305 1.00 0.00 C ATOM 1254 OG1 THR A 76 86.317 13.685 -5.105 1.00 0.00 O ATOM 1255 CG2 THR A 76 85.147 11.789 -6.026 1.00 0.00 C ATOM 0 H THR A 76 87.225 13.422 -3.128 1.00 0.00 H new ATOM 0 HA THR A 76 85.629 10.986 -3.764 1.00 0.00 H new ATOM 0 HB THR A 76 87.278 12.052 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 76 86.241 14.135 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 76 85.062 12.288 -6.991 1.00 0.00 H new ATOM 0 HG22 THR A 76 85.214 10.712 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 76 84.268 12.015 -5.422 1.00 0.00 H new ATOM 1263 N TRP A 77 88.784 11.044 -3.254 1.00 0.00 N ATOM 1264 CA TRP A 77 90.013 10.199 -3.225 1.00 0.00 C ATOM 1265 C TRP A 77 89.833 9.064 -2.212 1.00 0.00 C ATOM 1266 O TRP A 77 90.682 8.204 -2.074 1.00 0.00 O ATOM 1267 CB TRP A 77 91.213 11.060 -2.824 1.00 0.00 C ATOM 1268 CG TRP A 77 91.304 12.239 -3.740 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.632 12.367 -4.907 1.00 0.00 C ATOM 1270 CD2 TRP A 77 92.096 13.453 -3.588 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.961 13.583 -5.481 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.860 14.288 -4.706 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.987 13.908 -2.599 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.486 15.528 -4.838 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.619 15.155 -2.728 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.368 15.964 -3.846 1.00 0.00 C ATOM 0 H TRP A 77 88.831 11.899 -2.699 1.00 0.00 H new ATOM 0 HA TRP A 77 90.185 9.774 -4.214 1.00 0.00 H new ATOM 0 HB2 TRP A 77 91.107 11.394 -1.792 1.00 0.00 H new ATOM 0 HB3 TRP A 77 92.130 10.473 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.950 11.640 -5.323 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.585 13.917 -6.368 1.00 0.00 H new ATOM 0 HE3 TRP A 77 93.186 13.293 -1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.290 16.147 -5.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.302 15.493 -1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.856 16.923 -3.940 1.00 0.00 H new ATOM 1287 N LYS A 78 88.736 9.050 -1.504 1.00 0.00 N ATOM 1288 CA LYS A 78 88.508 7.965 -0.505 1.00 0.00 C ATOM 1289 C LYS A 78 87.324 7.107 -0.951 1.00 0.00 C ATOM 1290 O LYS A 78 87.167 5.978 -0.529 1.00 0.00 O ATOM 1291 CB LYS A 78 88.206 8.581 0.863 1.00 0.00 C ATOM 1292 CG LYS A 78 88.133 7.474 1.917 1.00 0.00 C ATOM 1293 CD LYS A 78 89.547 7.012 2.274 1.00 0.00 C ATOM 1294 CE LYS A 78 89.562 6.472 3.706 1.00 0.00 C ATOM 1295 NZ LYS A 78 90.844 5.755 3.956 1.00 0.00 N ATOM 0 H LYS A 78 87.989 9.741 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 78 89.402 7.345 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.981 9.300 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.263 9.127 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 78 87.623 7.840 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 78 87.550 6.635 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 78 89.875 6.239 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.247 7.842 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 78 89.447 7.291 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 78 88.720 5.797 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.672 4.945 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 91.234 5.415 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 91.523 6.403 4.404 1.00 0.00 H new ATOM 1309 N ALA A 79 86.487 7.633 -1.803 1.00 0.00 N ATOM 1310 CA ALA A 79 85.314 6.848 -2.277 1.00 0.00 C ATOM 1311 C ALA A 79 85.775 5.820 -3.313 1.00 0.00 C ATOM 1312 O ALA A 79 85.235 4.735 -3.408 1.00 0.00 O ATOM 1313 CB ALA A 79 84.293 7.791 -2.916 1.00 0.00 C ATOM 0 H ALA A 79 86.566 8.573 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 79 84.855 6.334 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.434 7.216 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.965 8.525 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.751 8.305 -3.761 1.00 0.00 H new ATOM 1319 N ASN A 80 86.767 6.153 -4.090 1.00 0.00 N ATOM 1320 CA ASN A 80 87.261 5.197 -5.118 1.00 0.00 C ATOM 1321 C ASN A 80 88.245 4.217 -4.475 1.00 0.00 C ATOM 1322 O ASN A 80 88.862 3.412 -5.145 1.00 0.00 O ATOM 1323 CB ASN A 80 87.963 5.966 -6.238 1.00 0.00 C ATOM 1324 CG ASN A 80 86.922 6.709 -7.077 1.00 0.00 C ATOM 1325 OD1 ASN A 80 86.170 6.100 -7.812 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.843 8.010 -6.997 1.00 0.00 N ATOM 0 H ASN A 80 87.257 7.047 -4.057 1.00 0.00 H new ATOM 0 HA ASN A 80 86.418 4.644 -5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.677 6.673 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.529 5.278 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.151 8.514 -7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 80 87.474 8.522 -6.380 1.00 0.00 H new ATOM 1333 N PHE A 81 88.395 4.272 -3.179 1.00 0.00 N ATOM 1334 CA PHE A 81 89.335 3.339 -2.498 1.00 0.00 C ATOM 1335 C PHE A 81 88.541 2.207 -1.846 1.00 0.00 C ATOM 1336 O PHE A 81 88.927 1.057 -1.895 1.00 0.00 O ATOM 1337 CB PHE A 81 90.127 4.095 -1.429 1.00 0.00 C ATOM 1338 CG PHE A 81 91.581 3.695 -1.504 1.00 0.00 C ATOM 1339 CD1 PHE A 81 91.947 2.352 -1.348 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.564 4.666 -1.732 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.296 1.982 -1.420 1.00 0.00 C ATOM 1342 CE2 PHE A 81 93.912 4.295 -1.804 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.278 2.953 -1.648 1.00 0.00 C ATOM 0 H PHE A 81 87.907 4.923 -2.564 1.00 0.00 H new ATOM 0 HA PHE A 81 90.028 2.923 -3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.026 5.170 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.728 3.872 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.190 1.602 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.282 5.702 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.579 0.947 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 81 94.670 5.044 -1.980 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.318 2.667 -1.704 1.00 0.00 H new ATOM 1353 N ARG A 82 87.427 2.520 -1.240 1.00 0.00 N ATOM 1354 CA ARG A 82 86.611 1.454 -0.594 1.00 0.00 C ATOM 1355 C ARG A 82 86.289 0.378 -1.632 1.00 0.00 C ATOM 1356 O ARG A 82 86.114 -0.779 -1.307 1.00 0.00 O ATOM 1357 CB ARG A 82 85.307 2.054 -0.060 1.00 0.00 C ATOM 1358 CG ARG A 82 84.365 0.929 0.378 1.00 0.00 C ATOM 1359 CD ARG A 82 83.257 0.752 -0.664 1.00 0.00 C ATOM 1360 NE ARG A 82 81.928 0.760 0.014 1.00 0.00 N ATOM 1361 CZ ARG A 82 81.429 1.878 0.470 1.00 0.00 C ATOM 1362 NH1 ARG A 82 82.091 2.996 0.334 1.00 0.00 N ATOM 1363 NH2 ARG A 82 80.267 1.880 1.066 1.00 0.00 N ATOM 0 H ARG A 82 87.049 3.464 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 82 87.169 1.016 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.517 2.715 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 82 84.832 2.661 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 82 84.922 -0.001 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 82 83.930 1.163 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.306 1.553 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.396 -0.185 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 82 81.407 -0.110 0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 82 83.000 2.997 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 82 81.699 3.867 0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 82 79.749 1.008 1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 82 79.878 2.753 1.422 1.00 0.00 H new ATOM 1377 N CYS A 83 86.209 0.751 -2.882 1.00 0.00 N ATOM 1378 CA CYS A 83 85.898 -0.253 -3.937 1.00 0.00 C ATOM 1379 C CYS A 83 87.091 -1.192 -4.110 1.00 0.00 C ATOM 1380 O CYS A 83 86.935 -2.371 -4.357 1.00 0.00 O ATOM 1381 CB CYS A 83 85.618 0.457 -5.261 1.00 0.00 C ATOM 1382 SG CYS A 83 84.355 1.729 -5.012 1.00 0.00 S ATOM 0 H CYS A 83 86.345 1.705 -3.216 1.00 0.00 H new ATOM 0 HA CYS A 83 85.018 -0.825 -3.641 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.533 0.909 -5.644 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.282 -0.263 -6.007 1.00 0.00 H new ATOM 0 HG CYS A 83 84.887 2.759 -4.423 1.00 0.00 H new ATOM 1388 N ALA A 84 88.283 -0.679 -3.977 1.00 0.00 N ATOM 1389 CA ALA A 84 89.484 -1.545 -4.127 1.00 0.00 C ATOM 1390 C ALA A 84 89.334 -2.753 -3.210 1.00 0.00 C ATOM 1391 O ALA A 84 89.919 -3.794 -3.434 1.00 0.00 O ATOM 1392 CB ALA A 84 90.735 -0.753 -3.738 1.00 0.00 C ATOM 0 H ALA A 84 88.476 0.301 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 84 89.579 -1.876 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.615 -1.386 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.831 0.117 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.651 -0.425 -2.702 1.00 0.00 H new ATOM 1398 N MET A 85 88.551 -2.623 -2.180 1.00 0.00 N ATOM 1399 CA MET A 85 88.359 -3.765 -1.252 1.00 0.00 C ATOM 1400 C MET A 85 87.170 -4.604 -1.713 1.00 0.00 C ATOM 1401 O MET A 85 87.130 -5.803 -1.517 1.00 0.00 O ATOM 1402 CB MET A 85 88.131 -3.231 0.160 1.00 0.00 C ATOM 1403 CG MET A 85 89.087 -2.059 0.422 1.00 0.00 C ATOM 1404 SD MET A 85 90.723 -2.414 -0.284 1.00 0.00 S ATOM 1405 CE MET A 85 91.231 -0.699 -0.538 1.00 0.00 C ATOM 0 H MET A 85 88.036 -1.776 -1.941 1.00 0.00 H new ATOM 0 HA MET A 85 89.246 -4.398 -1.249 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.097 -2.904 0.275 1.00 0.00 H new ATOM 0 HB3 MET A 85 88.298 -4.022 0.891 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.684 -1.146 -0.017 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.176 -1.885 1.494 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.817 -0.625 -1.454 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.347 -0.066 -0.621 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.835 -0.370 0.307 1.00 0.00 H new ATOM 1415 N ASN A 86 86.207 -3.989 -2.339 1.00 0.00 N ATOM 1416 CA ASN A 86 85.032 -4.761 -2.825 1.00 0.00 C ATOM 1417 C ASN A 86 85.410 -5.466 -4.135 1.00 0.00 C ATOM 1418 O ASN A 86 84.593 -6.116 -4.759 1.00 0.00 O ATOM 1419 CB ASN A 86 83.844 -3.805 -3.045 1.00 0.00 C ATOM 1420 CG ASN A 86 83.790 -3.333 -4.506 1.00 0.00 C ATOM 1421 OD1 ASN A 86 84.406 -2.352 -4.865 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.079 -4.005 -5.368 1.00 0.00 N ATOM 0 H ASN A 86 86.183 -2.988 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 86 84.740 -5.509 -2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 86 82.913 -4.309 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 86 83.936 -2.944 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 86 83.042 -3.705 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 86 82.560 -4.830 -5.068 1.00 0.00 H new ATOM 1429 N SER A 87 86.640 -5.334 -4.561 1.00 0.00 N ATOM 1430 CA SER A 87 87.062 -5.988 -5.828 1.00 0.00 C ATOM 1431 C SER A 87 87.889 -7.225 -5.511 1.00 0.00 C ATOM 1432 O SER A 87 87.834 -7.729 -4.413 1.00 0.00 O ATOM 1433 CB SER A 87 87.882 -5.001 -6.665 1.00 0.00 C ATOM 1434 OG SER A 87 87.930 -5.448 -8.015 1.00 0.00 O ATOM 0 H SER A 87 87.367 -4.801 -4.084 1.00 0.00 H new ATOM 0 HA SER A 87 86.182 -6.288 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.436 -4.008 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.891 -4.918 -6.262 1.00 0.00 H new ATOM 0 HG SER A 87 88.453 -4.816 -8.551 1.00 0.00 H new ATOM 1440 N LEU A 88 88.643 -7.705 -6.472 1.00 0.00 N ATOM 1441 CA LEU A 88 89.482 -8.928 -6.271 1.00 0.00 C ATOM 1442 C LEU A 88 88.800 -9.880 -5.274 1.00 0.00 C ATOM 1443 O LEU A 88 88.820 -9.654 -4.081 1.00 0.00 O ATOM 1444 CB LEU A 88 90.866 -8.530 -5.729 1.00 0.00 C ATOM 1445 CG LEU A 88 91.065 -7.007 -5.791 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.568 -6.360 -4.493 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.554 -6.700 -5.970 1.00 0.00 C ATOM 0 H LEU A 88 88.713 -7.293 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 88 89.598 -9.434 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.969 -8.872 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.644 -9.026 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 88 90.499 -6.605 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.713 -5.281 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.508 -6.578 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.129 -6.761 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.700 -5.621 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 88 93.113 -7.107 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.910 -7.153 -6.895 1.00 0.00 H new ATOM 1459 N PRO A 89 88.209 -10.930 -5.793 1.00 0.00 N ATOM 1460 CA PRO A 89 87.497 -11.928 -4.966 1.00 0.00 C ATOM 1461 C PRO A 89 88.460 -12.812 -4.157 1.00 0.00 C ATOM 1462 O PRO A 89 88.142 -13.934 -3.819 1.00 0.00 O ATOM 1463 CB PRO A 89 86.711 -12.749 -5.993 1.00 0.00 C ATOM 1464 CG PRO A 89 87.424 -12.552 -7.350 1.00 0.00 C ATOM 1465 CD PRO A 89 88.206 -11.230 -7.239 1.00 0.00 C ATOM 0 HA PRO A 89 86.861 -11.462 -4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.691 -13.803 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.675 -12.414 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 89 88.095 -13.384 -7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.702 -12.510 -8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 89 89.220 -11.333 -7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.726 -10.435 -7.810 1.00 0.00 H new ATOM 1473 N ASP A 90 89.621 -12.312 -3.822 1.00 0.00 N ATOM 1474 CA ASP A 90 90.577 -13.110 -3.016 1.00 0.00 C ATOM 1475 C ASP A 90 91.035 -12.266 -1.820 1.00 0.00 C ATOM 1476 O ASP A 90 91.823 -12.706 -1.006 1.00 0.00 O ATOM 1477 CB ASP A 90 91.785 -13.483 -3.879 1.00 0.00 C ATOM 1478 CG ASP A 90 91.438 -14.694 -4.748 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.905 -14.489 -5.827 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.709 -15.803 -4.320 1.00 0.00 O ATOM 0 H ASP A 90 89.945 -11.379 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 90 90.098 -14.023 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.070 -12.640 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.642 -13.711 -3.245 1.00 0.00 H new ATOM 1485 N ILE A 91 90.551 -11.049 -1.706 1.00 0.00 N ATOM 1486 CA ILE A 91 90.968 -10.185 -0.566 1.00 0.00 C ATOM 1487 C ILE A 91 90.090 -10.484 0.655 1.00 0.00 C ATOM 1488 O ILE A 91 88.879 -10.529 0.565 1.00 0.00 O ATOM 1489 CB ILE A 91 90.855 -8.691 -0.958 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.567 -8.061 -0.416 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.843 -8.533 -2.475 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.588 -6.561 -0.718 1.00 0.00 C ATOM 0 H ILE A 91 89.888 -10.623 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 91 92.007 -10.398 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 91 91.720 -8.189 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.696 -8.527 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.487 -8.229 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.763 -7.476 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.766 -8.938 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.991 -9.072 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.676 -6.100 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.453 -6.105 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.649 -6.408 -1.795 1.00 0.00 H new ATOM 1504 N GLU A 92 90.693 -10.677 1.795 1.00 0.00 N ATOM 1505 CA GLU A 92 89.894 -10.958 3.021 1.00 0.00 C ATOM 1506 C GLU A 92 90.201 -9.889 4.071 1.00 0.00 C ATOM 1507 O GLU A 92 91.211 -9.937 4.744 1.00 0.00 O ATOM 1508 CB GLU A 92 90.263 -12.340 3.569 1.00 0.00 C ATOM 1509 CG GLU A 92 88.987 -13.089 3.956 1.00 0.00 C ATOM 1510 CD GLU A 92 88.735 -14.217 2.955 1.00 0.00 C ATOM 1511 OE1 GLU A 92 89.694 -14.674 2.354 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.588 -14.607 2.807 1.00 0.00 O ATOM 0 H GLU A 92 91.704 -10.652 1.931 1.00 0.00 H new ATOM 0 HA GLU A 92 88.831 -10.942 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.816 -12.905 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.915 -12.237 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 92 89.083 -13.496 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.140 -12.403 3.969 1.00 0.00 H new ATOM 1519 N GLU A 93 89.339 -8.918 4.212 1.00 0.00 N ATOM 1520 CA GLU A 93 89.587 -7.842 5.212 1.00 0.00 C ATOM 1521 C GLU A 93 89.643 -8.445 6.616 1.00 0.00 C ATOM 1522 O GLU A 93 88.872 -9.320 6.961 1.00 0.00 O ATOM 1523 CB GLU A 93 88.461 -6.809 5.142 1.00 0.00 C ATOM 1524 CG GLU A 93 87.185 -7.398 5.747 1.00 0.00 C ATOM 1525 CD GLU A 93 85.967 -6.656 5.195 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.001 -6.281 4.035 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.019 -6.476 5.943 1.00 0.00 O ATOM 0 H GLU A 93 88.475 -8.824 3.678 1.00 0.00 H new ATOM 0 HA GLU A 93 90.538 -7.357 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.748 -5.906 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.284 -6.519 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 93 87.115 -8.460 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.213 -7.314 6.833 1.00 0.00 H new ATOM 1534 N VAL A 94 90.556 -7.988 7.425 1.00 0.00 N ATOM 1535 CA VAL A 94 90.676 -8.534 8.803 1.00 0.00 C ATOM 1536 C VAL A 94 91.262 -7.461 9.726 1.00 0.00 C ATOM 1537 O VAL A 94 92.462 -7.357 9.894 1.00 0.00 O ATOM 1538 CB VAL A 94 91.594 -9.760 8.780 1.00 0.00 C ATOM 1539 CG1 VAL A 94 92.052 -10.095 10.201 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.829 -10.952 8.201 1.00 0.00 C ATOM 0 H VAL A 94 91.227 -7.257 7.190 1.00 0.00 H new ATOM 0 HA VAL A 94 89.693 -8.826 9.173 1.00 0.00 H new ATOM 0 HB VAL A 94 92.467 -9.544 8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.704 -10.968 10.177 1.00 0.00 H new ATOM 0 HG12 VAL A 94 92.596 -9.247 10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 94 91.183 -10.309 10.823 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.479 -11.827 8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.957 -11.160 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.506 -10.719 7.186 1.00 0.00 H new ATOM 1550 N LYS A 95 90.422 -6.663 10.324 1.00 0.00 N ATOM 1551 CA LYS A 95 90.926 -5.603 11.239 1.00 0.00 C ATOM 1552 C LYS A 95 90.721 -6.050 12.682 1.00 0.00 C ATOM 1553 O LYS A 95 90.581 -5.249 13.585 1.00 0.00 O ATOM 1554 CB LYS A 95 90.158 -4.308 10.990 1.00 0.00 C ATOM 1555 CG LYS A 95 88.683 -4.533 11.323 1.00 0.00 C ATOM 1556 CD LYS A 95 87.859 -3.339 10.837 1.00 0.00 C ATOM 1557 CE LYS A 95 86.790 -2.998 11.875 1.00 0.00 C ATOM 1558 NZ LYS A 95 86.097 -1.741 11.476 1.00 0.00 N ATOM 0 H LYS A 95 89.408 -6.700 10.218 1.00 0.00 H new ATOM 0 HA LYS A 95 91.987 -5.433 11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 95 90.565 -3.505 11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 95 90.267 -4.000 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 95 88.329 -5.449 10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 95 88.558 -4.661 12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 95 88.508 -2.479 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 95 87.391 -3.572 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.071 -3.813 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.246 -2.879 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.369 -1.507 12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 86.788 -0.966 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 85.649 -1.871 10.546 1.00 0.00 H new ATOM 1572 N ASP A 96 90.703 -7.329 12.893 1.00 0.00 N ATOM 1573 CA ASP A 96 90.511 -7.864 14.270 1.00 0.00 C ATOM 1574 C ASP A 96 89.348 -7.134 14.943 1.00 0.00 C ATOM 1575 O ASP A 96 89.534 -6.158 15.642 1.00 0.00 O ATOM 1576 CB ASP A 96 91.789 -7.646 15.083 1.00 0.00 C ATOM 1577 CG ASP A 96 92.888 -8.571 14.560 1.00 0.00 C ATOM 1578 OD1 ASP A 96 93.084 -8.604 13.356 1.00 0.00 O ATOM 1579 OD2 ASP A 96 93.515 -9.232 15.372 1.00 0.00 O ATOM 0 H ASP A 96 90.814 -8.037 12.167 1.00 0.00 H new ATOM 0 HA ASP A 96 90.289 -8.930 14.219 1.00 0.00 H new ATOM 0 HB2 ASP A 96 92.108 -6.606 15.008 1.00 0.00 H new ATOM 0 HB3 ASP A 96 91.601 -7.847 16.138 1.00 0.00 H new ATOM 1584 N ARG A 97 88.146 -7.600 14.738 1.00 0.00 N ATOM 1585 CA ARG A 97 86.971 -6.931 15.364 1.00 0.00 C ATOM 1586 C ARG A 97 87.010 -7.134 16.882 1.00 0.00 C ATOM 1587 O ARG A 97 86.553 -6.300 17.638 1.00 0.00 O ATOM 1588 CB ARG A 97 85.681 -7.531 14.802 1.00 0.00 C ATOM 1589 CG ARG A 97 84.488 -7.044 15.628 1.00 0.00 C ATOM 1590 CD ARG A 97 83.526 -6.268 14.728 1.00 0.00 C ATOM 1591 NE ARG A 97 82.126 -6.484 15.192 1.00 0.00 N ATOM 1592 CZ ARG A 97 81.527 -7.621 14.963 1.00 0.00 C ATOM 1593 NH1 ARG A 97 82.151 -8.577 14.327 1.00 0.00 N ATOM 1594 NH2 ARG A 97 80.300 -7.805 15.367 1.00 0.00 N ATOM 0 H ARG A 97 87.927 -8.415 14.164 1.00 0.00 H new ATOM 0 HA ARG A 97 87.003 -5.864 15.141 1.00 0.00 H new ATOM 0 HB2 ARG A 97 85.557 -7.241 13.759 1.00 0.00 H new ATOM 0 HB3 ARG A 97 85.733 -8.619 14.826 1.00 0.00 H new ATOM 0 HG2 ARG A 97 83.975 -7.893 16.080 1.00 0.00 H new ATOM 0 HG3 ARG A 97 84.832 -6.408 16.444 1.00 0.00 H new ATOM 0 HD2 ARG A 97 83.768 -5.205 14.750 1.00 0.00 H new ATOM 0 HD3 ARG A 97 83.633 -6.597 13.694 1.00 0.00 H new ATOM 0 HE ARG A 97 81.635 -5.741 15.690 1.00 0.00 H new ATOM 0 HH11 ARG A 97 83.109 -8.436 14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 97 81.680 -9.464 14.150 1.00 0.00 H new ATOM 0 HH21 ARG A 97 79.809 -7.060 15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 97 79.832 -8.693 15.188 1.00 0.00 H new ATOM 1608 N SER A 98 87.547 -8.235 17.336 1.00 0.00 N ATOM 1609 CA SER A 98 87.601 -8.480 18.806 1.00 0.00 C ATOM 1610 C SER A 98 88.582 -9.607 19.114 1.00 0.00 C ATOM 1611 O SER A 98 88.200 -10.638 19.633 1.00 0.00 O ATOM 1612 CB SER A 98 86.223 -8.902 19.300 1.00 0.00 C ATOM 1613 OG SER A 98 85.383 -7.759 19.399 1.00 0.00 O ATOM 0 H SER A 98 87.949 -8.972 16.756 1.00 0.00 H new ATOM 0 HA SER A 98 87.922 -7.563 19.301 1.00 0.00 H new ATOM 0 HB2 SER A 98 85.786 -9.629 18.615 1.00 0.00 H new ATOM 0 HB3 SER A 98 86.307 -9.390 20.271 1.00 0.00 H new ATOM 0 HG SER A 98 85.851 -6.977 19.038 1.00 0.00 H new ATOM 1619 N ILE A 99 89.834 -9.443 18.806 1.00 0.00 N ATOM 1620 CA ILE A 99 90.791 -10.539 19.100 1.00 0.00 C ATOM 1621 C ILE A 99 92.060 -9.983 19.748 1.00 0.00 C ATOM 1622 O ILE A 99 92.224 -10.033 20.951 1.00 0.00 O ATOM 1623 CB ILE A 99 91.152 -11.267 17.807 1.00 0.00 C ATOM 1624 CG1 ILE A 99 89.879 -11.717 17.086 1.00 0.00 C ATOM 1625 CG2 ILE A 99 91.991 -12.491 18.150 1.00 0.00 C ATOM 1626 CD1 ILE A 99 90.027 -11.464 15.585 1.00 0.00 C ATOM 0 H ILE A 99 90.232 -8.611 18.370 1.00 0.00 H new ATOM 0 HA ILE A 99 90.321 -11.237 19.793 1.00 0.00 H new ATOM 0 HB ILE A 99 91.712 -10.595 17.157 1.00 0.00 H new ATOM 0 HG12 ILE A 99 89.698 -12.776 17.271 1.00 0.00 H new ATOM 0 HG13 ILE A 99 89.017 -11.174 17.474 1.00 0.00 H new ATOM 0 HG21 ILE A 99 92.255 -13.019 17.234 1.00 0.00 H new ATOM 0 HG22 ILE A 99 92.900 -12.177 18.663 1.00 0.00 H new ATOM 0 HG23 ILE A 99 91.419 -13.154 18.799 1.00 0.00 H new ATOM 0 HD11 ILE A 99 89.121 -11.784 15.071 1.00 0.00 H new ATOM 0 HD12 ILE A 99 90.187 -10.400 15.409 1.00 0.00 H new ATOM 0 HD13 ILE A 99 90.879 -12.027 15.203 1.00 0.00 H new ATOM 1638 N LYS A 100 92.964 -9.462 18.968 1.00 0.00 N ATOM 1639 CA LYS A 100 94.219 -8.916 19.551 1.00 0.00 C ATOM 1640 C LYS A 100 94.000 -7.453 19.920 1.00 0.00 C ATOM 1641 O LYS A 100 94.076 -7.074 21.072 1.00 0.00 O ATOM 1642 CB LYS A 100 95.347 -9.037 18.526 1.00 0.00 C ATOM 1643 CG LYS A 100 95.721 -10.511 18.360 1.00 0.00 C ATOM 1644 CD LYS A 100 97.052 -10.624 17.615 1.00 0.00 C ATOM 1645 CE LYS A 100 97.005 -11.833 16.676 1.00 0.00 C ATOM 1646 NZ LYS A 100 98.051 -11.689 15.625 1.00 0.00 N ATOM 0 H LYS A 100 92.888 -9.391 17.953 1.00 0.00 H new ATOM 0 HA LYS A 100 94.491 -9.476 20.446 1.00 0.00 H new ATOM 0 HB2 LYS A 100 95.032 -8.620 17.570 1.00 0.00 H new ATOM 0 HB3 LYS A 100 96.215 -8.464 18.853 1.00 0.00 H new ATOM 0 HG2 LYS A 100 95.798 -10.989 19.337 1.00 0.00 H new ATOM 0 HG3 LYS A 100 94.939 -11.035 17.810 1.00 0.00 H new ATOM 0 HD2 LYS A 100 97.242 -9.714 17.046 1.00 0.00 H new ATOM 0 HD3 LYS A 100 97.872 -10.732 18.325 1.00 0.00 H new ATOM 0 HE2 LYS A 100 97.166 -12.751 17.241 1.00 0.00 H new ATOM 0 HE3 LYS A 100 96.020 -11.911 16.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 98.018 -12.510 14.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 97.878 -10.821 15.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 98.988 -11.635 16.073 1.00 0.00 H new ATOM 1660 N LYS A 101 93.711 -6.627 18.954 1.00 0.00 N ATOM 1661 CA LYS A 101 93.468 -5.193 19.259 1.00 0.00 C ATOM 1662 C LYS A 101 94.653 -4.624 20.036 1.00 0.00 C ATOM 1663 O LYS A 101 94.663 -4.611 21.250 1.00 0.00 O ATOM 1664 CB LYS A 101 92.207 -5.072 20.107 1.00 0.00 C ATOM 1665 CG LYS A 101 91.147 -6.058 19.605 1.00 0.00 C ATOM 1666 CD LYS A 101 90.166 -6.366 20.736 1.00 0.00 C ATOM 1667 CE LYS A 101 89.777 -5.060 21.433 1.00 0.00 C ATOM 1668 NZ LYS A 101 88.402 -5.182 21.992 1.00 0.00 N ATOM 0 H LYS A 101 93.633 -6.883 17.970 1.00 0.00 H new ATOM 0 HA LYS A 101 93.346 -4.638 18.329 1.00 0.00 H new ATOM 0 HB2 LYS A 101 92.440 -5.275 21.152 1.00 0.00 H new ATOM 0 HB3 LYS A 101 91.821 -4.054 20.059 1.00 0.00 H new ATOM 0 HG2 LYS A 101 90.615 -5.635 18.752 1.00 0.00 H new ATOM 0 HG3 LYS A 101 91.622 -6.976 19.261 1.00 0.00 H new ATOM 0 HD2 LYS A 101 89.278 -6.859 20.340 1.00 0.00 H new ATOM 0 HD3 LYS A 101 90.620 -7.053 21.451 1.00 0.00 H new ATOM 0 HE2 LYS A 101 90.486 -4.836 22.230 1.00 0.00 H new ATOM 0 HE3 LYS A 101 89.821 -4.232 20.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 88.140 -4.294 22.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 87.730 -5.376 21.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 88.375 -5.962 22.680 1.00 0.00 H new ATOM 1682 N GLY A 102 95.653 -4.152 19.348 1.00 0.00 N ATOM 1683 CA GLY A 102 96.833 -3.583 20.053 1.00 0.00 C ATOM 1684 C GLY A 102 98.110 -3.983 19.314 1.00 0.00 C ATOM 1685 O GLY A 102 99.086 -3.259 19.305 1.00 0.00 O ATOM 0 H GLY A 102 95.704 -4.136 18.329 1.00 0.00 H new ATOM 0 HA2 GLY A 102 96.753 -2.497 20.101 1.00 0.00 H new ATOM 0 HA3 GLY A 102 96.866 -3.946 21.080 1.00 0.00 H new ATOM 1689 N ASN A 103 98.113 -5.130 18.693 1.00 0.00 N ATOM 1690 CA ASN A 103 99.329 -5.572 17.955 1.00 0.00 C ATOM 1691 C ASN A 103 99.177 -5.238 16.470 1.00 0.00 C ATOM 1692 O ASN A 103 100.107 -5.360 15.698 1.00 0.00 O ATOM 1693 CB ASN A 103 99.514 -7.083 18.123 1.00 0.00 C ATOM 1694 CG ASN A 103 101.006 -7.417 18.076 1.00 0.00 C ATOM 1695 OD1 ASN A 103 101.826 -6.652 18.545 1.00 0.00 O ATOM 1696 ND2 ASN A 103 101.397 -8.535 17.526 1.00 0.00 N ATOM 0 H ASN A 103 97.327 -5.779 18.665 1.00 0.00 H new ATOM 0 HA ASN A 103 100.201 -5.055 18.356 1.00 0.00 H new ATOM 0 HB2 ASN A 103 99.086 -7.410 19.070 1.00 0.00 H new ATOM 0 HB3 ASN A 103 98.985 -7.616 17.333 1.00 0.00 H new ATOM 0 HD21 ASN A 103 102.390 -8.766 17.490 1.00 0.00 H new ATOM 0 HD22 ASN A 103 100.710 -9.177 17.132 1.00 0.00 H new ATOM 1703 N ASN A 104 98.012 -4.813 16.061 1.00 0.00 N ATOM 1704 CA ASN A 104 97.808 -4.468 14.627 1.00 0.00 C ATOM 1705 C ASN A 104 97.068 -3.132 14.527 1.00 0.00 C ATOM 1706 O ASN A 104 97.672 -2.079 14.498 1.00 0.00 O ATOM 1707 CB ASN A 104 96.980 -5.561 13.948 1.00 0.00 C ATOM 1708 CG ASN A 104 97.838 -6.812 13.758 1.00 0.00 C ATOM 1709 OD1 ASN A 104 98.971 -6.726 13.329 1.00 0.00 O ATOM 1710 ND2 ASN A 104 97.342 -7.980 14.062 1.00 0.00 N ATOM 0 H ASN A 104 97.194 -4.690 16.658 1.00 0.00 H new ATOM 0 HA ASN A 104 98.776 -4.388 14.132 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.105 -5.797 14.553 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.615 -5.208 12.983 1.00 0.00 H new ATOM 0 HD21 ASN A 104 97.906 -8.821 13.939 1.00 0.00 H new ATOM 0 HD22 ASN A 104 96.390 -8.052 14.422 1.00 0.00 H new ATOM 1717 N ALA A 105 95.761 -3.174 14.481 1.00 0.00 N ATOM 1718 CA ALA A 105 94.958 -1.917 14.390 1.00 0.00 C ATOM 1719 C ALA A 105 94.853 -1.465 12.932 1.00 0.00 C ATOM 1720 O ALA A 105 94.913 -0.290 12.631 1.00 0.00 O ATOM 1721 CB ALA A 105 95.611 -0.813 15.225 1.00 0.00 C ATOM 0 H ALA A 105 95.211 -4.033 14.503 1.00 0.00 H new ATOM 0 HA ALA A 105 93.958 -2.113 14.777 1.00 0.00 H new ATOM 0 HB1 ALA A 105 95.017 0.098 15.151 1.00 0.00 H new ATOM 0 HB2 ALA A 105 95.664 -1.128 16.267 1.00 0.00 H new ATOM 0 HB3 ALA A 105 96.617 -0.622 14.852 1.00 0.00 H new ATOM 1727 N PHE A 106 94.672 -2.386 12.025 1.00 0.00 N ATOM 1728 CA PHE A 106 94.538 -2.002 10.590 1.00 0.00 C ATOM 1729 C PHE A 106 93.608 -2.984 9.880 1.00 0.00 C ATOM 1730 O PHE A 106 93.355 -4.074 10.349 1.00 0.00 O ATOM 1731 CB PHE A 106 95.883 -2.041 9.868 1.00 0.00 C ATOM 1732 CG PHE A 106 97.022 -2.260 10.818 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.643 -1.163 11.420 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.484 -3.553 11.063 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.726 -1.359 12.274 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.572 -3.754 11.911 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.196 -2.658 12.521 1.00 0.00 C ATOM 0 H PHE A 106 94.611 -3.386 12.215 1.00 0.00 H new ATOM 0 HA PHE A 106 94.141 -0.987 10.563 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.873 -2.838 9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.034 -1.105 9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 106 97.284 -0.164 11.223 1.00 0.00 H new ATOM 0 HD2 PHE A 106 96.999 -4.398 10.596 1.00 0.00 H new ATOM 0 HE1 PHE A 106 99.203 -0.512 12.745 1.00 0.00 H new ATOM 0 HE2 PHE A 106 98.934 -4.754 12.098 1.00 0.00 H new ATOM 0 HZ PHE A 106 100.037 -2.813 13.180 1.00 0.00 H new ATOM 1747 N ARG A 107 93.135 -2.613 8.728 1.00 0.00 N ATOM 1748 CA ARG A 107 92.258 -3.521 7.939 1.00 0.00 C ATOM 1749 C ARG A 107 93.168 -4.519 7.218 1.00 0.00 C ATOM 1750 O ARG A 107 93.602 -4.292 6.101 1.00 0.00 O ATOM 1751 CB ARG A 107 91.458 -2.693 6.927 1.00 0.00 C ATOM 1752 CG ARG A 107 89.975 -3.046 6.989 1.00 0.00 C ATOM 1753 CD ARG A 107 89.152 -1.756 6.966 1.00 0.00 C ATOM 1754 NE ARG A 107 87.706 -2.089 6.823 1.00 0.00 N ATOM 1755 CZ ARG A 107 86.816 -1.135 6.774 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.188 0.115 6.851 1.00 0.00 N ATOM 1757 NH2 ARG A 107 85.551 -1.431 6.648 1.00 0.00 N ATOM 0 H ARG A 107 93.319 -1.709 8.292 1.00 0.00 H new ATOM 0 HA ARG A 107 91.553 -4.052 8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.592 -1.631 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.838 -2.874 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.704 -3.680 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.761 -3.613 7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.317 -1.191 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.473 -1.122 6.139 1.00 0.00 H new ATOM 0 HE ARG A 107 87.411 -3.064 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.176 0.348 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 107 86.490 0.858 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.259 -2.406 6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 107 84.854 -0.687 6.610 1.00 0.00 H new ATOM 1771 N VAL A 108 93.500 -5.601 7.873 1.00 0.00 N ATOM 1772 CA VAL A 108 94.408 -6.606 7.266 1.00 0.00 C ATOM 1773 C VAL A 108 93.710 -7.344 6.127 1.00 0.00 C ATOM 1774 O VAL A 108 92.876 -8.198 6.343 1.00 0.00 O ATOM 1775 CB VAL A 108 94.840 -7.594 8.346 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.018 -8.422 7.840 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.268 -6.813 9.589 1.00 0.00 C ATOM 0 H VAL A 108 93.175 -5.829 8.812 1.00 0.00 H new ATOM 0 HA VAL A 108 95.282 -6.101 6.854 1.00 0.00 H new ATOM 0 HB VAL A 108 94.011 -8.258 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.325 -9.127 8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.720 -8.970 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.851 -7.761 7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.579 -7.510 10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.100 -6.156 9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.430 -6.216 9.950 1.00 0.00 H new ATOM 1787 N TYR A 109 94.054 -7.025 4.911 1.00 0.00 N ATOM 1788 CA TYR A 109 93.415 -7.708 3.757 1.00 0.00 C ATOM 1789 C TYR A 109 94.284 -8.883 3.319 1.00 0.00 C ATOM 1790 O TYR A 109 95.464 -8.739 3.090 1.00 0.00 O ATOM 1791 CB TYR A 109 93.271 -6.719 2.598 1.00 0.00 C ATOM 1792 CG TYR A 109 91.945 -6.005 2.701 1.00 0.00 C ATOM 1793 CD1 TYR A 109 90.808 -6.567 2.116 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.851 -4.785 3.382 1.00 0.00 C ATOM 1795 CE1 TYR A 109 89.575 -5.913 2.207 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.616 -4.130 3.475 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.478 -4.694 2.888 1.00 0.00 C ATOM 1798 OH TYR A 109 88.262 -4.050 2.980 1.00 0.00 O ATOM 0 H TYR A 109 94.750 -6.320 4.668 1.00 0.00 H new ATOM 0 HA TYR A 109 92.430 -8.073 4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.087 -5.996 2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.338 -7.246 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 109 90.881 -7.509 1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.729 -4.350 3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 109 88.698 -6.349 1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.542 -3.189 4.000 1.00 0.00 H new ATOM 0 HH TYR A 109 87.544 -4.671 2.737 1.00 0.00 H new ATOM 1808 N ARG A 110 93.709 -10.047 3.201 1.00 0.00 N ATOM 1809 CA ARG A 110 94.509 -11.227 2.779 1.00 0.00 C ATOM 1810 C ARG A 110 94.149 -11.602 1.340 1.00 0.00 C ATOM 1811 O ARG A 110 93.028 -11.971 1.046 1.00 0.00 O ATOM 1812 CB ARG A 110 94.209 -12.406 3.707 1.00 0.00 C ATOM 1813 CG ARG A 110 94.888 -13.667 3.168 1.00 0.00 C ATOM 1814 CD ARG A 110 95.177 -14.625 4.323 1.00 0.00 C ATOM 1815 NE ARG A 110 93.917 -15.307 4.730 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.961 -16.365 5.495 1.00 0.00 C ATOM 1817 NH1 ARG A 110 95.109 -16.830 5.906 1.00 0.00 N ATOM 1818 NH2 ARG A 110 92.854 -16.958 5.850 1.00 0.00 N ATOM 0 H ARG A 110 92.722 -10.231 3.378 1.00 0.00 H new ATOM 0 HA ARG A 110 95.570 -10.984 2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 110 94.567 -12.190 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.133 -12.562 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 110 94.247 -14.151 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.815 -13.404 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 110 95.921 -15.362 4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 110 95.596 -14.078 5.167 1.00 0.00 H new ATOM 0 HE ARG A 110 93.018 -14.947 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 110 95.975 -16.367 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 110 95.140 -17.656 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 110 91.956 -16.595 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 110 92.887 -17.784 6.447 1.00 0.00 H new ATOM 1832 N MET A 111 95.092 -11.512 0.443 1.00 0.00 N ATOM 1833 CA MET A 111 94.810 -11.865 -0.976 1.00 0.00 C ATOM 1834 C MET A 111 95.131 -13.344 -1.199 1.00 0.00 C ATOM 1835 O MET A 111 96.183 -13.693 -1.696 1.00 0.00 O ATOM 1836 CB MET A 111 95.680 -11.011 -1.900 1.00 0.00 C ATOM 1837 CG MET A 111 95.168 -9.569 -1.899 1.00 0.00 C ATOM 1838 SD MET A 111 95.006 -8.985 -3.605 1.00 0.00 S ATOM 1839 CE MET A 111 96.645 -8.233 -3.745 1.00 0.00 C ATOM 0 H MET A 111 96.047 -11.209 0.632 1.00 0.00 H new ATOM 0 HA MET A 111 93.759 -11.679 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.718 -11.039 -1.568 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.658 -11.415 -2.912 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.205 -9.514 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.856 -8.928 -1.348 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.701 -7.651 -4.665 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.819 -7.579 -2.891 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.404 -9.015 -3.764 1.00 0.00 H new ATOM 1849 N LEU A 112 94.233 -14.215 -0.830 1.00 0.00 N ATOM 1850 CA LEU A 112 94.487 -15.671 -1.018 1.00 0.00 C ATOM 1851 C LEU A 112 95.044 -15.914 -2.424 1.00 0.00 C ATOM 1852 O LEU A 112 94.875 -15.096 -3.306 1.00 0.00 O ATOM 1853 CB LEU A 112 93.178 -16.443 -0.838 1.00 0.00 C ATOM 1854 CG LEU A 112 92.600 -16.151 0.549 1.00 0.00 C ATOM 1855 CD1 LEU A 112 91.076 -16.271 0.507 1.00 0.00 C ATOM 1856 CD2 LEU A 112 93.162 -17.156 1.557 1.00 0.00 C ATOM 0 H LEU A 112 93.335 -13.982 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 112 95.212 -16.015 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.464 -16.154 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 112 93.355 -17.512 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 112 92.875 -15.140 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.667 -16.063 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.674 -15.555 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.799 -17.281 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.751 -16.949 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.888 -18.167 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 112 94.248 -17.069 1.590 1.00 0.00 H new ATOM 1868 N PRO A 113 95.697 -17.036 -2.588 1.00 0.00 N ATOM 1869 CA PRO A 113 96.302 -17.423 -3.873 1.00 0.00 C ATOM 1870 C PRO A 113 95.233 -17.953 -4.833 1.00 0.00 C ATOM 1871 O PRO A 113 94.539 -18.885 -4.460 1.00 0.00 O ATOM 1872 CB PRO A 113 97.291 -18.522 -3.491 1.00 0.00 C ATOM 1873 CG PRO A 113 96.807 -19.089 -2.141 1.00 0.00 C ATOM 1874 CD PRO A 113 95.895 -18.022 -1.509 1.00 0.00 C ATOM 1875 OXT PRO A 113 95.128 -17.420 -5.926 1.00 0.00 O ATOM 0 HA PRO A 113 96.781 -16.590 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.319 -19.301 -4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.302 -18.123 -3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.265 -20.023 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.652 -19.309 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.948 -18.450 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.359 -17.568 -0.634 1.00 0.00 H new TER 1883 PRO A 113