USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 969 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 77 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-4.9!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 140:sc= 0.0319 (180deg=-3.15) USER MOD Set 2.1: A 80 CYS SG : rot -48:sc= -1.35 USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 HIS : no HE2:sc= -10.9! C(o=-16!,f=-17!) USER MOD Set 3.2: A 39 MET CE :methyl -179:sc= -2.25! (180deg=0) USER MOD Set 3.3: A 55 TYR OH : rot 19:sc= -2.5! USER MOD Set 4.1: A 23 TYR OH : rot -148:sc= -0.93 USER MOD Set 4.2: A 46 HIS : no HD1:sc= -2.27! K(o=-5.3!,f=-4.6) USER MOD Set 4.3: A 47 ASN : amide:sc= -2.13! C(o=-5.3!,f=-5.3!) USER MOD Set 5.1: A 29 GLN : amide:sc= 0 K(o=-0.6,f=-0.009) USER MOD Set 5.2: A 30 ASN : amide:sc= -0.595 X(o=-0.6,f=-0.26) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0.436 (180deg=0.251) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 82:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 84:sc= 0.202 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 101:sc= 0.151 USER MOD Single : A 36 SER OG : rot -88:sc= 1.25 USER MOD Single : A 42 CYS SG : rot 65:sc= -2.85! USER MOD Single : A 57 GLN : amide:sc= -1.01 K(o=-1,f=-5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 62 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.19) USER MOD Single : A 65 GLN : amide:sc= -3.31! C(o=-3.3!,f=-10!) USER MOD Single : A 66 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.5) USER MOD Single : A 72 SER OG : rot 180:sc= -0.543 USER MOD Single : A 73 SER OG : rot -171:sc= 1.23 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.39! X(o=-1.4!,f=-1.4) USER MOD Single : A 86 THR OG1 : rot 161:sc= 0.245 USER MOD Single : A 89 MET CE :methyl -169:sc= -1.82 (180deg=-2.39) USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= -0.23 (180deg=-0.867) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 82:sc= 0.00347 USER MOD Single : A 105 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.4!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -140:sc= -1.54! USER MOD Single : A 113 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.054) USER MOD Single : A 118 LYS NZ :NH3+ -153:sc= -0.889 (180deg=-1.98!) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 120 LYS NZ :NH3+ 165:sc=-0.00906 (180deg=-0.127) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.883 -26.861 2.362 1.00 0.00 N ATOM 2 CA GLY A 1 -13.462 -26.639 2.555 1.00 0.00 C ATOM 3 C GLY A 1 -13.179 -25.527 3.545 1.00 0.00 C ATOM 4 O GLY A 1 -13.079 -25.767 4.748 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.024 -27.630 1.677 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.320 -27.121 3.269 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.324 -25.991 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.998 -27.561 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.002 -26.395 1.597 1.00 0.00 H new ATOM 8 N SER A 2 -13.046 -24.305 3.038 1.00 0.00 N ATOM 9 CA SER A 2 -12.767 -23.152 3.885 1.00 0.00 C ATOM 10 C SER A 2 -14.034 -22.340 4.133 1.00 0.00 C ATOM 11 O SER A 2 -14.978 -22.386 3.344 1.00 0.00 O ATOM 12 CB SER A 2 -11.698 -22.267 3.242 1.00 0.00 C ATOM 13 OG SER A 2 -10.561 -23.027 2.872 1.00 0.00 O ATOM 0 H SER A 2 -13.127 -24.089 2.045 1.00 0.00 H new ATOM 0 HA SER A 2 -12.398 -23.518 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.111 -21.773 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.404 -21.482 3.939 1.00 0.00 H new ATOM 0 HG SER A 2 -9.893 -22.438 2.462 1.00 0.00 H new ATOM 19 N SER A 3 -14.048 -21.596 5.235 1.00 0.00 N ATOM 20 CA SER A 3 -15.200 -20.776 5.590 1.00 0.00 C ATOM 21 C SER A 3 -15.062 -19.369 5.017 1.00 0.00 C ATOM 22 O SER A 3 -14.049 -19.032 4.405 1.00 0.00 O ATOM 23 CB SER A 3 -15.354 -20.707 7.110 1.00 0.00 C ATOM 24 OG SER A 3 -15.411 -22.005 7.677 1.00 0.00 O ATOM 0 H SER A 3 -13.274 -21.545 5.897 1.00 0.00 H new ATOM 0 HA SER A 3 -16.090 -21.238 5.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.517 -20.156 7.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.260 -20.157 7.362 1.00 0.00 H new ATOM 0 HG SER A 3 -15.508 -21.933 8.650 1.00 0.00 H new ATOM 30 N GLY A 4 -16.090 -18.551 5.220 1.00 0.00 N ATOM 31 CA GLY A 4 -16.066 -17.189 4.718 1.00 0.00 C ATOM 32 C GLY A 4 -16.281 -17.120 3.219 1.00 0.00 C ATOM 33 O GLY A 4 -15.385 -17.448 2.441 1.00 0.00 O ATOM 0 H GLY A 4 -16.939 -18.807 5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.838 -16.606 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.109 -16.730 4.966 1.00 0.00 H new ATOM 37 N SER A 5 -17.472 -16.694 2.813 1.00 0.00 N ATOM 38 CA SER A 5 -17.805 -16.588 1.397 1.00 0.00 C ATOM 39 C SER A 5 -16.905 -15.570 0.702 1.00 0.00 C ATOM 40 O SER A 5 -16.231 -15.888 -0.278 1.00 0.00 O ATOM 41 CB SER A 5 -19.272 -16.190 1.224 1.00 0.00 C ATOM 42 OG SER A 5 -19.604 -16.052 -0.147 1.00 0.00 O ATOM 0 H SER A 5 -18.223 -16.416 3.445 1.00 0.00 H new ATOM 0 HA SER A 5 -17.644 -17.563 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.913 -16.943 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.461 -15.251 1.744 1.00 0.00 H new ATOM 0 HG SER A 5 -20.547 -15.799 -0.231 1.00 0.00 H new ATOM 48 N SER A 6 -16.900 -14.345 1.218 1.00 0.00 N ATOM 49 CA SER A 6 -16.086 -13.279 0.646 1.00 0.00 C ATOM 50 C SER A 6 -14.925 -12.926 1.570 1.00 0.00 C ATOM 51 O SER A 6 -14.959 -13.213 2.766 1.00 0.00 O ATOM 52 CB SER A 6 -16.943 -12.037 0.389 1.00 0.00 C ATOM 53 OG SER A 6 -16.416 -11.266 -0.677 1.00 0.00 O ATOM 0 H SER A 6 -17.450 -14.066 2.031 1.00 0.00 H new ATOM 0 HA SER A 6 -15.679 -13.634 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.964 -12.338 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.989 -11.430 1.293 1.00 0.00 H new ATOM 0 HG SER A 6 -16.982 -10.479 -0.823 1.00 0.00 H new ATOM 59 N GLY A 7 -13.895 -12.302 1.005 1.00 0.00 N ATOM 60 CA GLY A 7 -12.737 -11.920 1.791 1.00 0.00 C ATOM 61 C GLY A 7 -12.053 -10.680 1.252 1.00 0.00 C ATOM 62 O GLY A 7 -11.484 -10.703 0.160 1.00 0.00 O ATOM 0 H GLY A 7 -13.843 -12.055 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.044 -11.743 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.025 -12.745 1.808 1.00 0.00 H new ATOM 66 N ILE A 8 -12.109 -9.595 2.016 1.00 0.00 N ATOM 67 CA ILE A 8 -11.490 -8.341 1.608 1.00 0.00 C ATOM 68 C ILE A 8 -9.977 -8.489 1.480 1.00 0.00 C ATOM 69 O ILE A 8 -9.346 -7.839 0.647 1.00 0.00 O ATOM 70 CB ILE A 8 -11.801 -7.208 2.605 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.312 -7.067 2.794 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.196 -5.898 2.123 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.701 -6.462 4.124 1.00 0.00 C ATOM 0 H ILE A 8 -12.577 -9.559 2.922 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.911 -8.084 0.636 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.356 -7.458 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.714 -6.449 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.775 -8.050 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.424 -5.107 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.115 -6.007 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.615 -5.640 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.787 -6.392 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.329 -7.091 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.268 -5.466 4.211 1.00 0.00 H new ATOM 85 N LYS A 9 -9.401 -9.351 2.311 1.00 0.00 N ATOM 86 CA LYS A 9 -7.963 -9.590 2.291 1.00 0.00 C ATOM 87 C LYS A 9 -7.509 -10.064 0.914 1.00 0.00 C ATOM 88 O LYS A 9 -6.328 -9.986 0.579 1.00 0.00 O ATOM 89 CB LYS A 9 -7.582 -10.626 3.351 1.00 0.00 C ATOM 90 CG LYS A 9 -6.183 -10.436 3.912 1.00 0.00 C ATOM 91 CD LYS A 9 -6.188 -9.513 5.120 1.00 0.00 C ATOM 92 CE LYS A 9 -6.692 -10.227 6.365 1.00 0.00 C ATOM 93 NZ LYS A 9 -5.628 -11.053 6.999 1.00 0.00 N ATOM 0 H LYS A 9 -9.909 -9.896 3.008 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.461 -8.649 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.302 -10.579 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.658 -11.623 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.768 -11.404 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.533 -10.023 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.180 -9.138 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.818 -8.648 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.057 -9.492 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.537 -10.863 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.042 -11.627 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.203 -11.679 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.895 -10.431 7.394 1.00 0.00 H new ATOM 107 N GLN A 10 -8.456 -10.555 0.121 1.00 0.00 N ATOM 108 CA GLN A 10 -8.152 -11.042 -1.220 1.00 0.00 C ATOM 109 C GLN A 10 -8.178 -9.901 -2.231 1.00 0.00 C ATOM 110 O GLN A 10 -7.168 -9.598 -2.866 1.00 0.00 O ATOM 111 CB GLN A 10 -9.151 -12.126 -1.630 1.00 0.00 C ATOM 112 CG GLN A 10 -8.654 -13.014 -2.760 1.00 0.00 C ATOM 113 CD GLN A 10 -7.682 -14.075 -2.284 1.00 0.00 C ATOM 114 OE1 GLN A 10 -8.087 -15.125 -1.784 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.390 -13.806 -2.436 1.00 0.00 N ATOM 0 H GLN A 10 -9.439 -10.626 0.383 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.149 -11.469 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.377 -12.747 -0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.084 -11.652 -1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.506 -13.496 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.170 -12.396 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.099 -12.923 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.689 -14.482 -2.133 1.00 0.00 H new ATOM 124 N MET A 11 -9.340 -9.272 -2.377 1.00 0.00 N ATOM 125 CA MET A 11 -9.496 -8.163 -3.311 1.00 0.00 C ATOM 126 C MET A 11 -8.404 -7.119 -3.104 1.00 0.00 C ATOM 127 O MET A 11 -8.003 -6.430 -4.043 1.00 0.00 O ATOM 128 CB MET A 11 -10.873 -7.518 -3.144 1.00 0.00 C ATOM 129 CG MET A 11 -10.937 -6.507 -2.010 1.00 0.00 C ATOM 130 SD MET A 11 -12.535 -5.679 -1.907 1.00 0.00 S ATOM 131 CE MET A 11 -12.051 -3.975 -2.174 1.00 0.00 C ATOM 0 H MET A 11 -10.187 -9.511 -1.861 1.00 0.00 H new ATOM 0 HA MET A 11 -9.408 -8.558 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.149 -7.025 -4.076 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.612 -8.299 -2.966 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.732 -7.012 -1.066 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.154 -5.761 -2.149 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.934 -3.336 -2.139 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.351 -3.669 -1.396 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.574 -3.881 -3.149 1.00 0.00 H new ATOM 141 N LEU A 12 -7.926 -7.007 -1.870 1.00 0.00 N ATOM 142 CA LEU A 12 -6.879 -6.046 -1.540 1.00 0.00 C ATOM 143 C LEU A 12 -5.572 -6.401 -2.242 1.00 0.00 C ATOM 144 O LEU A 12 -4.925 -5.544 -2.844 1.00 0.00 O ATOM 145 CB LEU A 12 -6.661 -5.999 -0.026 1.00 0.00 C ATOM 146 CG LEU A 12 -7.641 -5.132 0.766 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.333 -5.202 2.253 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.595 -3.692 0.277 1.00 0.00 C ATOM 0 H LEU A 12 -8.246 -7.569 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.200 -5.064 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.713 -7.017 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.651 -5.637 0.165 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.648 -5.517 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.040 -4.579 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.418 -6.234 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.319 -4.843 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.299 -3.090 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.588 -3.296 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.865 -3.657 -0.778 1.00 0.00 H new ATOM 160 N LEU A 13 -5.190 -7.671 -2.162 1.00 0.00 N ATOM 161 CA LEU A 13 -3.961 -8.142 -2.792 1.00 0.00 C ATOM 162 C LEU A 13 -4.077 -8.098 -4.312 1.00 0.00 C ATOM 163 O LEU A 13 -3.156 -7.662 -5.003 1.00 0.00 O ATOM 164 CB LEU A 13 -3.643 -9.566 -2.334 1.00 0.00 C ATOM 165 CG LEU A 13 -2.246 -10.085 -2.675 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.266 -9.752 -1.561 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.280 -11.585 -2.927 1.00 0.00 C ATOM 0 H LEU A 13 -5.713 -8.393 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.150 -7.480 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.773 -9.616 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.377 -10.240 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.909 -9.592 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.277 -10.129 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.219 -8.671 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.599 -10.217 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.277 -11.936 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.638 -12.096 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.949 -11.799 -3.760 1.00 0.00 H new ATOM 179 N ASP A 14 -5.215 -8.551 -4.827 1.00 0.00 N ATOM 180 CA ASP A 14 -5.454 -8.560 -6.265 1.00 0.00 C ATOM 181 C ASP A 14 -5.501 -7.139 -6.818 1.00 0.00 C ATOM 182 O ASP A 14 -5.152 -6.901 -7.974 1.00 0.00 O ATOM 183 CB ASP A 14 -6.761 -9.288 -6.582 1.00 0.00 C ATOM 184 CG ASP A 14 -6.893 -9.627 -8.054 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.667 -8.729 -8.893 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.220 -10.791 -8.367 1.00 0.00 O ATOM 0 H ASP A 14 -5.987 -8.917 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.628 -9.088 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.814 -10.205 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.603 -8.666 -6.279 1.00 0.00 H new ATOM 191 N TRP A 15 -5.935 -6.200 -5.985 1.00 0.00 N ATOM 192 CA TRP A 15 -6.028 -4.803 -6.391 1.00 0.00 C ATOM 193 C TRP A 15 -4.644 -4.171 -6.491 1.00 0.00 C ATOM 194 O TRP A 15 -4.260 -3.659 -7.543 1.00 0.00 O ATOM 195 CB TRP A 15 -6.890 -4.019 -5.399 1.00 0.00 C ATOM 196 CG TRP A 15 -6.906 -2.544 -5.663 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.659 -1.886 -6.593 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.133 -1.544 -4.990 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.401 -0.537 -6.539 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.469 -0.302 -5.564 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.191 -1.577 -3.958 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.894 0.893 -5.139 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.622 -0.390 -3.538 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.975 0.831 -4.127 1.00 0.00 C ATOM 0 H TRP A 15 -6.228 -6.381 -5.025 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.495 -4.767 -7.375 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.911 -4.399 -5.437 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.521 -4.196 -4.389 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.355 -2.357 -7.271 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.834 0.173 -7.129 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.913 -2.513 -3.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.164 1.835 -5.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.892 -0.404 -2.742 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.513 1.742 -3.775 1.00 0.00 H new ATOM 215 N CYS A 16 -3.900 -4.210 -5.391 1.00 0.00 N ATOM 216 CA CYS A 16 -2.558 -3.640 -5.356 1.00 0.00 C ATOM 217 C CYS A 16 -1.817 -3.913 -6.661 1.00 0.00 C ATOM 218 O CYS A 16 -1.214 -3.012 -7.244 1.00 0.00 O ATOM 219 CB CYS A 16 -1.769 -4.213 -4.178 1.00 0.00 C ATOM 220 SG CYS A 16 -2.531 -3.917 -2.565 1.00 0.00 S ATOM 0 H CYS A 16 -4.203 -4.630 -4.512 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.651 -2.561 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.652 -5.287 -4.321 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.768 -3.781 -4.180 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.463 -4.799 -2.357 1.00 0.00 H new ATOM 226 N ARG A 17 -1.865 -5.162 -7.113 1.00 0.00 N ATOM 227 CA ARG A 17 -1.196 -5.554 -8.347 1.00 0.00 C ATOM 228 C ARG A 17 -1.733 -4.758 -9.533 1.00 0.00 C ATOM 229 O ARG A 17 -0.966 -4.193 -10.312 1.00 0.00 O ATOM 230 CB ARG A 17 -1.380 -7.052 -8.598 1.00 0.00 C ATOM 231 CG ARG A 17 -0.651 -7.932 -7.597 1.00 0.00 C ATOM 232 CD ARG A 17 -1.132 -9.373 -7.668 1.00 0.00 C ATOM 233 NE ARG A 17 -0.491 -10.111 -8.753 1.00 0.00 N ATOM 234 CZ ARG A 17 -1.002 -11.209 -9.297 1.00 0.00 C ATOM 235 NH1 ARG A 17 -2.156 -11.695 -8.859 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.360 -11.825 -10.282 1.00 0.00 N ATOM 0 H ARG A 17 -2.360 -5.920 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.133 -5.339 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.444 -7.288 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.028 -7.289 -9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.421 -7.895 -7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.806 -7.545 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.927 -9.871 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.213 -9.388 -7.808 1.00 0.00 H new ATOM 0 HE ARG A 17 0.398 -9.764 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.653 -11.225 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.546 -12.539 -9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.528 -11.455 -10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.754 -12.668 -10.699 1.00 0.00 H new ATOM 250 N ALA A 18 -3.055 -4.720 -9.663 1.00 0.00 N ATOM 251 CA ALA A 18 -3.694 -3.993 -10.753 1.00 0.00 C ATOM 252 C ALA A 18 -3.099 -2.597 -10.905 1.00 0.00 C ATOM 253 O ALA A 18 -2.999 -2.071 -12.014 1.00 0.00 O ATOM 254 CB ALA A 18 -5.195 -3.906 -10.520 1.00 0.00 C ATOM 0 H ALA A 18 -3.704 -5.184 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.512 -4.540 -11.678 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.660 -3.361 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.614 -4.911 -10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.388 -3.384 -9.583 1.00 0.00 H new ATOM 260 N LYS A 19 -2.705 -2.002 -9.785 1.00 0.00 N ATOM 261 CA LYS A 19 -2.118 -0.667 -9.793 1.00 0.00 C ATOM 262 C LYS A 19 -0.598 -0.741 -9.886 1.00 0.00 C ATOM 263 O LYS A 19 0.057 0.214 -10.304 1.00 0.00 O ATOM 264 CB LYS A 19 -2.526 0.099 -8.532 1.00 0.00 C ATOM 265 CG LYS A 19 -4.029 0.184 -8.332 1.00 0.00 C ATOM 266 CD LYS A 19 -4.686 1.049 -9.395 1.00 0.00 C ATOM 267 CE LYS A 19 -6.163 0.719 -9.547 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.953 1.903 -9.984 1.00 0.00 N ATOM 0 H LYS A 19 -2.781 -2.423 -8.859 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.492 -0.138 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.079 -0.384 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.117 1.108 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.458 -0.818 -8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.243 0.594 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.572 2.101 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.179 0.903 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.283 -0.086 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.553 0.352 -8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.954 1.637 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.860 2.662 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.598 2.238 -10.902 1.00 0.00 H new ATOM 282 N THR A 20 -0.040 -1.883 -9.493 1.00 0.00 N ATOM 283 CA THR A 20 1.403 -2.081 -9.533 1.00 0.00 C ATOM 284 C THR A 20 1.802 -2.988 -10.691 1.00 0.00 C ATOM 285 O THR A 20 2.842 -3.646 -10.647 1.00 0.00 O ATOM 286 CB THR A 20 1.922 -2.691 -8.216 1.00 0.00 C ATOM 287 OG1 THR A 20 1.180 -2.169 -7.109 1.00 0.00 O ATOM 288 CG2 THR A 20 3.402 -2.391 -8.028 1.00 0.00 C ATOM 0 H THR A 20 -0.566 -2.684 -9.144 1.00 0.00 H new ATOM 0 HA THR A 20 1.853 -1.098 -9.673 1.00 0.00 H new ATOM 0 HB THR A 20 1.789 -3.772 -8.264 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.355 -2.686 -6.995 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.746 -2.831 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.967 -2.815 -8.858 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.554 -1.312 -7.999 1.00 0.00 H new ATOM 296 N ARG A 21 0.969 -3.019 -11.727 1.00 0.00 N ATOM 297 CA ARG A 21 1.236 -3.846 -12.897 1.00 0.00 C ATOM 298 C ARG A 21 2.340 -3.235 -13.755 1.00 0.00 C ATOM 299 O ARG A 21 2.272 -2.066 -14.132 1.00 0.00 O ATOM 300 CB ARG A 21 -0.037 -4.014 -13.729 1.00 0.00 C ATOM 301 CG ARG A 21 -1.080 -4.904 -13.074 1.00 0.00 C ATOM 302 CD ARG A 21 -1.982 -5.560 -14.108 1.00 0.00 C ATOM 303 NE ARG A 21 -3.097 -4.697 -14.489 1.00 0.00 N ATOM 304 CZ ARG A 21 -4.062 -5.068 -15.322 1.00 0.00 C ATOM 305 NH1 ARG A 21 -4.049 -6.280 -15.859 1.00 0.00 N ATOM 306 NH2 ARG A 21 -5.043 -4.226 -15.620 1.00 0.00 N ATOM 0 H ARG A 21 0.104 -2.481 -11.779 1.00 0.00 H new ATOM 0 HA ARG A 21 1.569 -4.825 -12.551 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.473 -3.032 -13.912 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.227 -4.432 -14.700 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.584 -5.673 -12.482 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.684 -4.313 -12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.397 -5.808 -14.994 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.369 -6.497 -13.708 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.136 -3.758 -14.093 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.296 -6.930 -15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.792 -6.562 -16.499 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.056 -3.293 -15.209 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.784 -4.512 -16.260 1.00 0.00 H new ATOM 320 N GLY A 22 3.357 -4.035 -14.059 1.00 0.00 N ATOM 321 CA GLY A 22 4.462 -3.556 -14.868 1.00 0.00 C ATOM 322 C GLY A 22 5.676 -3.192 -14.037 1.00 0.00 C ATOM 323 O GLY A 22 6.808 -3.501 -14.409 1.00 0.00 O ATOM 0 H GLY A 22 3.435 -5.007 -13.759 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.738 -4.324 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.140 -2.683 -15.436 1.00 0.00 H new ATOM 327 N TYR A 23 5.441 -2.531 -12.908 1.00 0.00 N ATOM 328 CA TYR A 23 6.524 -2.121 -12.023 1.00 0.00 C ATOM 329 C TYR A 23 7.625 -3.176 -11.984 1.00 0.00 C ATOM 330 O TYR A 23 7.360 -4.357 -11.765 1.00 0.00 O ATOM 331 CB TYR A 23 5.991 -1.872 -10.611 1.00 0.00 C ATOM 332 CG TYR A 23 5.384 -0.499 -10.427 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.035 -0.276 -10.677 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.158 0.574 -10.003 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.476 0.976 -10.510 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.607 1.829 -9.833 1.00 0.00 C ATOM 337 CZ TYR A 23 4.266 2.025 -10.088 1.00 0.00 C ATOM 338 OH TYR A 23 3.713 3.274 -9.920 1.00 0.00 O ATOM 0 H TYR A 23 4.510 -2.268 -12.585 1.00 0.00 H new ATOM 0 HA TYR A 23 6.947 -1.195 -12.413 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.240 -2.627 -10.377 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.804 -1.999 -9.897 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.414 -1.095 -11.007 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.209 0.424 -9.803 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.426 1.133 -10.709 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.223 2.652 -9.502 1.00 0.00 H new ATOM 0 HH TYR A 23 4.385 3.959 -10.119 1.00 0.00 H new ATOM 348 N GLU A 24 8.863 -2.739 -12.198 1.00 0.00 N ATOM 349 CA GLU A 24 10.005 -3.645 -12.187 1.00 0.00 C ATOM 350 C GLU A 24 10.469 -3.919 -10.760 1.00 0.00 C ATOM 351 O GLU A 24 10.130 -3.183 -9.833 1.00 0.00 O ATOM 352 CB GLU A 24 11.157 -3.059 -13.006 1.00 0.00 C ATOM 353 CG GLU A 24 12.175 -4.095 -13.452 1.00 0.00 C ATOM 354 CD GLU A 24 13.199 -3.529 -14.417 1.00 0.00 C ATOM 355 OE1 GLU A 24 12.789 -2.876 -15.400 1.00 0.00 O ATOM 356 OE2 GLU A 24 14.409 -3.738 -14.190 1.00 0.00 O ATOM 0 H GLU A 24 9.100 -1.764 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 24 9.692 -4.588 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.750 -2.560 -13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.663 -2.297 -12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.688 -4.495 -12.577 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.656 -4.928 -13.926 1.00 0.00 H new ATOM 363 N HIS A 25 11.247 -4.984 -10.590 1.00 0.00 N ATOM 364 CA HIS A 25 11.758 -5.356 -9.276 1.00 0.00 C ATOM 365 C HIS A 25 10.654 -5.289 -8.225 1.00 0.00 C ATOM 366 O HIS A 25 10.914 -5.007 -7.055 1.00 0.00 O ATOM 367 CB HIS A 25 12.915 -4.439 -8.877 1.00 0.00 C ATOM 368 CG HIS A 25 12.546 -2.988 -8.848 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.734 -2.436 -7.879 1.00 0.00 N ATOM 370 CD2 HIS A 25 12.884 -1.971 -9.676 1.00 0.00 C ATOM 371 CE1 HIS A 25 11.588 -1.145 -8.113 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.276 -0.837 -9.198 1.00 0.00 N ATOM 0 H HIS A 25 11.537 -5.604 -11.346 1.00 0.00 H new ATOM 0 HA HIS A 25 12.121 -6.382 -9.331 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.278 -4.733 -7.892 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.739 -4.582 -9.576 1.00 0.00 H new ATOM 0 HD1 HIS A 25 11.312 -2.946 -7.103 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.515 -2.039 -10.550 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.005 -0.457 -7.518 1.00 0.00 H new ATOM 381 N VAL A 26 9.422 -5.549 -8.650 1.00 0.00 N ATOM 382 CA VAL A 26 8.279 -5.519 -7.746 1.00 0.00 C ATOM 383 C VAL A 26 7.299 -6.643 -8.061 1.00 0.00 C ATOM 384 O VAL A 26 7.134 -7.031 -9.217 1.00 0.00 O ATOM 385 CB VAL A 26 7.538 -4.170 -7.823 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.320 -4.178 -6.912 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.475 -3.027 -7.465 1.00 0.00 C ATOM 0 H VAL A 26 9.190 -5.783 -9.615 1.00 0.00 H new ATOM 0 HA VAL A 26 8.670 -5.654 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 26 7.195 -4.021 -8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.809 -3.218 -6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.641 -4.973 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.636 -4.349 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.935 -2.082 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.850 -3.168 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.313 -3.011 -8.162 1.00 0.00 H new ATOM 397 N ASP A 27 6.650 -7.162 -7.024 1.00 0.00 N ATOM 398 CA ASP A 27 5.684 -8.242 -7.190 1.00 0.00 C ATOM 399 C ASP A 27 4.896 -8.468 -5.904 1.00 0.00 C ATOM 400 O ASP A 27 5.434 -8.965 -4.914 1.00 0.00 O ATOM 401 CB ASP A 27 6.395 -9.533 -7.600 1.00 0.00 C ATOM 402 CG ASP A 27 5.447 -10.713 -7.690 1.00 0.00 C ATOM 403 OD1 ASP A 27 4.305 -10.522 -8.158 1.00 0.00 O ATOM 404 OD2 ASP A 27 5.848 -11.827 -7.294 1.00 0.00 O ATOM 0 H ASP A 27 6.775 -6.852 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 27 4.987 -7.955 -7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.880 -9.386 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.181 -9.756 -6.879 1.00 0.00 H new ATOM 409 N ILE A 28 3.619 -8.099 -5.925 1.00 0.00 N ATOM 410 CA ILE A 28 2.758 -8.262 -4.761 1.00 0.00 C ATOM 411 C ILE A 28 2.167 -9.667 -4.706 1.00 0.00 C ATOM 412 O ILE A 28 1.359 -10.044 -5.555 1.00 0.00 O ATOM 413 CB ILE A 28 1.611 -7.235 -4.762 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.158 -5.827 -5.007 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.848 -7.291 -3.447 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.145 -4.883 -5.617 1.00 0.00 C ATOM 0 H ILE A 28 3.159 -7.685 -6.736 1.00 0.00 H new ATOM 0 HA ILE A 28 3.381 -8.098 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 28 0.922 -7.483 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.506 -5.412 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.024 -5.892 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.040 -6.559 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.431 -8.289 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.525 -7.065 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.602 -3.904 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.814 -5.276 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.288 -4.788 -4.950 1.00 0.00 H new ATOM 428 N GLN A 29 2.575 -10.436 -3.702 1.00 0.00 N ATOM 429 CA GLN A 29 2.085 -11.799 -3.536 1.00 0.00 C ATOM 430 C GLN A 29 1.491 -11.998 -2.145 1.00 0.00 C ATOM 431 O GLN A 29 0.602 -12.827 -1.952 1.00 0.00 O ATOM 432 CB GLN A 29 3.216 -12.802 -3.769 1.00 0.00 C ATOM 433 CG GLN A 29 2.728 -14.215 -4.047 1.00 0.00 C ATOM 434 CD GLN A 29 3.828 -15.249 -3.910 1.00 0.00 C ATOM 435 OE1 GLN A 29 4.333 -15.494 -2.814 1.00 0.00 O ATOM 436 NE2 GLN A 29 4.205 -15.864 -5.025 1.00 0.00 N ATOM 0 H GLN A 29 3.243 -10.138 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 29 1.301 -11.969 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.823 -12.464 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.864 -12.816 -2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.918 -14.458 -3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.315 -14.261 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.759 -15.630 -5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.940 -16.570 -4.994 1.00 0.00 H new ATOM 445 N ASN A 30 1.988 -11.232 -1.179 1.00 0.00 N ATOM 446 CA ASN A 30 1.507 -11.326 0.194 1.00 0.00 C ATOM 447 C ASN A 30 2.059 -10.185 1.043 1.00 0.00 C ATOM 448 O ASN A 30 3.130 -9.649 0.760 1.00 0.00 O ATOM 449 CB ASN A 30 1.905 -12.671 0.806 1.00 0.00 C ATOM 450 CG ASN A 30 3.203 -13.205 0.232 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.307 -14.384 -0.106 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.202 -12.336 0.120 1.00 0.00 N ATOM 0 H ASN A 30 2.723 -10.540 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 30 0.420 -11.250 0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.007 -12.560 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.109 -13.396 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.100 -12.637 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.071 -11.368 0.413 1.00 0.00 H new ATOM 459 N PHE A 31 1.320 -9.819 2.086 1.00 0.00 N ATOM 460 CA PHE A 31 1.736 -8.742 2.976 1.00 0.00 C ATOM 461 C PHE A 31 2.681 -9.262 4.055 1.00 0.00 C ATOM 462 O PHE A 31 2.589 -8.869 5.218 1.00 0.00 O ATOM 463 CB PHE A 31 0.514 -8.088 3.625 1.00 0.00 C ATOM 464 CG PHE A 31 -0.595 -7.795 2.655 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.569 -6.648 1.878 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.664 -8.667 2.520 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.588 -6.376 0.985 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.685 -8.400 1.628 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.648 -7.252 0.860 1.00 0.00 C ATOM 0 H PHE A 31 0.431 -10.252 2.335 1.00 0.00 H new ATOM 0 HA PHE A 31 2.266 -7.998 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.136 -8.743 4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.821 -7.159 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.257 -5.959 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.699 -9.565 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.555 -5.479 0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.512 -9.088 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.446 -7.040 0.164 1.00 0.00 H new ATOM 479 N SER A 32 3.590 -10.148 3.660 1.00 0.00 N ATOM 480 CA SER A 32 4.550 -10.726 4.593 1.00 0.00 C ATOM 481 C SER A 32 5.926 -10.089 4.420 1.00 0.00 C ATOM 482 O SER A 32 6.428 -9.417 5.321 1.00 0.00 O ATOM 483 CB SER A 32 4.646 -12.239 4.387 1.00 0.00 C ATOM 484 OG SER A 32 3.507 -12.898 4.913 1.00 0.00 O ATOM 0 H SER A 32 3.682 -10.481 2.700 1.00 0.00 H new ATOM 0 HA SER A 32 4.201 -10.526 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.739 -12.459 3.324 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.546 -12.619 4.871 1.00 0.00 H new ATOM 0 HG SER A 32 3.591 -13.863 4.768 1.00 0.00 H new ATOM 490 N SER A 33 6.529 -10.307 3.256 1.00 0.00 N ATOM 491 CA SER A 33 7.849 -9.758 2.965 1.00 0.00 C ATOM 492 C SER A 33 7.814 -8.898 1.705 1.00 0.00 C ATOM 493 O SER A 33 8.772 -8.189 1.398 1.00 0.00 O ATOM 494 CB SER A 33 8.868 -10.887 2.797 1.00 0.00 C ATOM 495 OG SER A 33 8.441 -11.818 1.819 1.00 0.00 O ATOM 0 H SER A 33 6.125 -10.859 2.499 1.00 0.00 H new ATOM 0 HA SER A 33 8.148 -9.130 3.804 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.833 -10.470 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.012 -11.396 3.750 1.00 0.00 H new ATOM 0 HG SER A 33 9.110 -12.528 1.729 1.00 0.00 H new ATOM 501 N SER A 34 6.702 -8.966 0.981 1.00 0.00 N ATOM 502 CA SER A 34 6.542 -8.197 -0.248 1.00 0.00 C ATOM 503 C SER A 34 6.617 -6.700 0.035 1.00 0.00 C ATOM 504 O SER A 34 6.786 -5.893 -0.879 1.00 0.00 O ATOM 505 CB SER A 34 5.207 -8.535 -0.916 1.00 0.00 C ATOM 506 OG SER A 34 5.235 -8.222 -2.298 1.00 0.00 O ATOM 0 H SER A 34 5.898 -9.545 1.224 1.00 0.00 H new ATOM 0 HA SER A 34 7.356 -8.463 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.989 -9.595 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.403 -7.981 -0.431 1.00 0.00 H new ATOM 0 HG SER A 34 5.382 -9.041 -2.816 1.00 0.00 H new ATOM 512 N TRP A 35 6.491 -6.337 1.306 1.00 0.00 N ATOM 513 CA TRP A 35 6.545 -4.937 1.710 1.00 0.00 C ATOM 514 C TRP A 35 7.638 -4.712 2.750 1.00 0.00 C ATOM 515 O TRP A 35 7.588 -3.752 3.519 1.00 0.00 O ATOM 516 CB TRP A 35 5.193 -4.494 2.270 1.00 0.00 C ATOM 517 CG TRP A 35 4.028 -4.973 1.457 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.628 -6.266 1.281 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.114 -4.163 0.709 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.520 -6.310 0.469 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.185 -5.032 0.105 1.00 0.00 C ATOM 522 CE3 TRP A 35 2.989 -2.788 0.493 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.148 -4.570 -0.701 1.00 0.00 C ATOM 524 CZ3 TRP A 35 1.960 -2.330 -0.308 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.050 -3.219 -0.896 1.00 0.00 C ATOM 0 H TRP A 35 6.351 -6.993 2.075 1.00 0.00 H new ATOM 0 HA TRP A 35 6.779 -4.339 0.829 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.092 -4.864 3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.168 -3.406 2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.111 -7.128 1.716 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.027 -7.156 0.184 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.684 -2.095 0.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.446 -5.253 -1.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.855 -1.270 -0.484 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.255 -2.830 -1.515 1.00 0.00 H new ATOM 536 N SER A 36 8.625 -5.602 2.767 1.00 0.00 N ATOM 537 CA SER A 36 9.728 -5.502 3.715 1.00 0.00 C ATOM 538 C SER A 36 10.903 -4.745 3.103 1.00 0.00 C ATOM 539 O SER A 36 11.769 -4.240 3.817 1.00 0.00 O ATOM 540 CB SER A 36 10.179 -6.897 4.155 1.00 0.00 C ATOM 541 OG SER A 36 10.757 -7.609 3.075 1.00 0.00 O ATOM 0 H SER A 36 8.683 -6.400 2.135 1.00 0.00 H new ATOM 0 HA SER A 36 9.376 -4.950 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.902 -6.810 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.326 -7.452 4.546 1.00 0.00 H new ATOM 0 HG SER A 36 10.056 -8.088 2.586 1.00 0.00 H new ATOM 547 N ASP A 37 10.924 -4.671 1.777 1.00 0.00 N ATOM 548 CA ASP A 37 11.991 -3.974 1.068 1.00 0.00 C ATOM 549 C ASP A 37 11.752 -2.468 1.069 1.00 0.00 C ATOM 550 O ASP A 37 12.681 -1.682 1.250 1.00 0.00 O ATOM 551 CB ASP A 37 12.095 -4.486 -0.370 1.00 0.00 C ATOM 552 CG ASP A 37 12.851 -3.530 -1.271 1.00 0.00 C ATOM 553 OD1 ASP A 37 14.099 -3.530 -1.223 1.00 0.00 O ATOM 554 OD2 ASP A 37 12.195 -2.781 -2.026 1.00 0.00 O ATOM 0 H ASP A 37 10.215 -5.085 1.172 1.00 0.00 H new ATOM 0 HA ASP A 37 12.929 -4.174 1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.594 -5.455 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.093 -4.643 -0.770 1.00 0.00 H new ATOM 559 N GLY A 38 10.499 -2.072 0.865 1.00 0.00 N ATOM 560 CA GLY A 38 10.160 -0.661 0.846 1.00 0.00 C ATOM 561 C GLY A 38 9.623 -0.212 -0.499 1.00 0.00 C ATOM 562 O GLY A 38 8.593 0.456 -0.571 1.00 0.00 O ATOM 0 H GLY A 38 9.713 -2.703 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.416 -0.459 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.044 -0.075 1.095 1.00 0.00 H new ATOM 566 N MET A 39 10.325 -0.579 -1.566 1.00 0.00 N ATOM 567 CA MET A 39 9.912 -0.209 -2.915 1.00 0.00 C ATOM 568 C MET A 39 8.423 -0.471 -3.120 1.00 0.00 C ATOM 569 O MET A 39 7.696 0.386 -3.620 1.00 0.00 O ATOM 570 CB MET A 39 10.726 -0.986 -3.952 1.00 0.00 C ATOM 571 CG MET A 39 12.147 -0.474 -4.117 1.00 0.00 C ATOM 572 SD MET A 39 13.000 -1.228 -5.516 1.00 0.00 S ATOM 573 CE MET A 39 13.530 0.228 -6.414 1.00 0.00 C ATOM 0 H MET A 39 11.181 -1.131 -1.523 1.00 0.00 H new ATOM 0 HA MET A 39 10.096 0.858 -3.044 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.758 -2.037 -3.663 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.216 -0.935 -4.914 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.126 0.608 -4.250 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.709 -0.673 -3.204 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.058 -0.074 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 39 12.659 0.825 -6.685 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.195 0.821 -5.786 1.00 0.00 H new ATOM 583 N ALA A 40 7.978 -1.661 -2.730 1.00 0.00 N ATOM 584 CA ALA A 40 6.576 -2.035 -2.869 1.00 0.00 C ATOM 585 C ALA A 40 5.661 -0.845 -2.598 1.00 0.00 C ATOM 586 O ALA A 40 5.032 -0.313 -3.513 1.00 0.00 O ATOM 587 CB ALA A 40 6.241 -3.185 -1.931 1.00 0.00 C ATOM 0 H ALA A 40 8.568 -2.382 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 40 6.412 -2.359 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.191 -3.454 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.864 -4.046 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.427 -2.881 -0.901 1.00 0.00 H new ATOM 593 N PHE A 41 5.591 -0.433 -1.337 1.00 0.00 N ATOM 594 CA PHE A 41 4.751 0.693 -0.946 1.00 0.00 C ATOM 595 C PHE A 41 4.859 1.829 -1.959 1.00 0.00 C ATOM 596 O PHE A 41 3.865 2.231 -2.565 1.00 0.00 O ATOM 597 CB PHE A 41 5.149 1.195 0.444 1.00 0.00 C ATOM 598 CG PHE A 41 4.461 0.467 1.563 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.078 0.440 1.643 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.197 -0.190 2.536 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.441 -0.228 2.671 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.565 -0.860 3.567 1.00 0.00 C ATOM 603 CZ PHE A 41 3.186 -0.879 3.635 1.00 0.00 C ATOM 0 H PHE A 41 6.106 -0.862 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 41 3.717 0.350 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.228 1.093 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.919 2.258 0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.491 0.948 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.276 -0.179 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.362 -0.241 2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.150 -1.369 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.691 -1.402 4.440 1.00 0.00 H new ATOM 613 N CYS A 42 6.071 2.343 -2.136 1.00 0.00 N ATOM 614 CA CYS A 42 6.310 3.434 -3.074 1.00 0.00 C ATOM 615 C CYS A 42 5.584 3.186 -4.392 1.00 0.00 C ATOM 616 O CYS A 42 4.678 3.931 -4.763 1.00 0.00 O ATOM 617 CB CYS A 42 7.809 3.598 -3.327 1.00 0.00 C ATOM 618 SG CYS A 42 8.687 4.476 -2.013 1.00 0.00 S ATOM 0 H CYS A 42 6.904 2.022 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 42 5.921 4.352 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.256 2.612 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 42 7.952 4.134 -4.266 1.00 0.00 H new ATOM 0 HG CYS A 42 8.654 3.770 -0.922 1.00 0.00 H new ATOM 624 N ALA A 43 5.990 2.135 -5.097 1.00 0.00 N ATOM 625 CA ALA A 43 5.378 1.788 -6.374 1.00 0.00 C ATOM 626 C ALA A 43 3.870 2.011 -6.338 1.00 0.00 C ATOM 627 O ALA A 43 3.341 2.866 -7.050 1.00 0.00 O ATOM 628 CB ALA A 43 5.691 0.344 -6.735 1.00 0.00 C ATOM 0 H ALA A 43 6.740 1.509 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 43 5.798 2.441 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.228 0.099 -7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.771 0.214 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.300 -0.317 -5.962 1.00 0.00 H new ATOM 634 N LEU A 44 3.182 1.237 -5.506 1.00 0.00 N ATOM 635 CA LEU A 44 1.733 1.349 -5.378 1.00 0.00 C ATOM 636 C LEU A 44 1.294 2.810 -5.420 1.00 0.00 C ATOM 637 O LEU A 44 0.347 3.165 -6.122 1.00 0.00 O ATOM 638 CB LEU A 44 1.264 0.701 -4.074 1.00 0.00 C ATOM 639 CG LEU A 44 -0.236 0.774 -3.790 1.00 0.00 C ATOM 640 CD1 LEU A 44 -1.005 -0.123 -4.747 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.525 0.389 -2.346 1.00 0.00 C ATOM 0 H LEU A 44 3.604 0.525 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 44 1.277 0.827 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.561 -0.348 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.794 1.173 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.566 1.801 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.071 -0.058 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.824 0.199 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.672 -1.154 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.598 0.447 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.180 -0.629 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.005 1.073 -1.676 1.00 0.00 H new ATOM 653 N VAL A 45 1.991 3.653 -4.665 1.00 0.00 N ATOM 654 CA VAL A 45 1.676 5.076 -4.618 1.00 0.00 C ATOM 655 C VAL A 45 2.031 5.761 -5.933 1.00 0.00 C ATOM 656 O VAL A 45 1.160 6.292 -6.624 1.00 0.00 O ATOM 657 CB VAL A 45 2.422 5.779 -3.468 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.062 7.256 -3.422 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.111 5.103 -2.141 1.00 0.00 C ATOM 0 H VAL A 45 2.777 3.375 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 45 0.602 5.157 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 45 3.494 5.697 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.598 7.736 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.340 7.728 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.989 7.364 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.646 5.612 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.039 5.152 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.425 4.060 -2.182 1.00 0.00 H new ATOM 669 N HIS A 46 3.315 5.746 -6.274 1.00 0.00 N ATOM 670 CA HIS A 46 3.786 6.365 -7.508 1.00 0.00 C ATOM 671 C HIS A 46 2.751 6.217 -8.620 1.00 0.00 C ATOM 672 O HIS A 46 2.493 7.157 -9.370 1.00 0.00 O ATOM 673 CB HIS A 46 5.112 5.740 -7.944 1.00 0.00 C ATOM 674 CG HIS A 46 5.707 6.384 -9.158 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.591 5.853 -10.425 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.426 7.523 -9.293 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.214 6.636 -11.287 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.728 7.658 -10.626 1.00 0.00 N ATOM 0 H HIS A 46 4.048 5.312 -5.713 1.00 0.00 H new ATOM 0 HA HIS A 46 3.939 7.427 -7.317 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.824 5.807 -7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.956 4.680 -8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.709 8.199 -8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.290 6.469 -12.351 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.262 8.423 -11.039 1.00 0.00 H new ATOM 687 N ASN A 47 2.162 5.029 -8.719 1.00 0.00 N ATOM 688 CA ASN A 47 1.157 4.757 -9.740 1.00 0.00 C ATOM 689 C ASN A 47 0.093 5.851 -9.760 1.00 0.00 C ATOM 690 O ASN A 47 -0.244 6.385 -10.816 1.00 0.00 O ATOM 691 CB ASN A 47 0.502 3.397 -9.491 1.00 0.00 C ATOM 692 CG ASN A 47 -0.136 2.825 -10.742 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.557 2.402 -11.668 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.463 2.810 -10.775 1.00 0.00 N ATOM 0 H ASN A 47 2.364 4.240 -8.105 1.00 0.00 H new ATOM 0 HA ASN A 47 1.655 4.741 -10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.251 2.699 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.256 3.498 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.949 2.437 -11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.997 3.171 -9.984 1.00 0.00 H new ATOM 701 N PHE A 48 -0.433 6.178 -8.584 1.00 0.00 N ATOM 702 CA PHE A 48 -1.459 7.208 -8.465 1.00 0.00 C ATOM 703 C PHE A 48 -0.878 8.590 -8.745 1.00 0.00 C ATOM 704 O PHE A 48 -1.315 9.287 -9.661 1.00 0.00 O ATOM 705 CB PHE A 48 -2.083 7.177 -7.069 1.00 0.00 C ATOM 706 CG PHE A 48 -2.205 5.794 -6.497 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.888 4.803 -7.184 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.636 5.483 -5.272 1.00 0.00 C ATOM 709 CE1 PHE A 48 -3.003 3.530 -6.659 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.747 4.212 -4.742 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.430 3.233 -5.438 1.00 0.00 C ATOM 0 H PHE A 48 -0.166 5.745 -7.700 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.232 7.002 -9.205 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.480 7.788 -6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.072 7.632 -7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.336 5.028 -8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.099 6.244 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.541 2.768 -7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.301 3.984 -3.785 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.516 2.238 -5.028 1.00 0.00 H new ATOM 721 N PHE A 49 0.112 8.981 -7.948 1.00 0.00 N ATOM 722 CA PHE A 49 0.753 10.281 -8.108 1.00 0.00 C ATOM 723 C PHE A 49 2.250 10.122 -8.356 1.00 0.00 C ATOM 724 O PHE A 49 3.065 10.158 -7.434 1.00 0.00 O ATOM 725 CB PHE A 49 0.519 11.145 -6.866 1.00 0.00 C ATOM 726 CG PHE A 49 -0.877 11.046 -6.322 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.200 10.086 -5.377 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.866 11.914 -6.755 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.484 9.993 -4.874 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.152 11.826 -6.255 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.461 10.864 -5.314 1.00 0.00 C ATOM 0 H PHE A 49 0.487 8.416 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 49 0.309 10.773 -8.973 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.225 10.850 -6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.732 12.185 -7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.440 9.402 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.630 12.668 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.723 9.240 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.914 12.509 -6.600 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.465 10.793 -4.923 1.00 0.00 H new ATOM 741 N PRO A 50 2.622 9.941 -9.632 1.00 0.00 N ATOM 742 CA PRO A 50 4.022 9.772 -10.032 1.00 0.00 C ATOM 743 C PRO A 50 4.828 11.057 -9.877 1.00 0.00 C ATOM 744 O PRO A 50 5.983 11.029 -9.453 1.00 0.00 O ATOM 745 CB PRO A 50 3.924 9.378 -11.508 1.00 0.00 C ATOM 746 CG PRO A 50 2.627 9.949 -11.968 1.00 0.00 C ATOM 747 CD PRO A 50 1.704 9.887 -10.782 1.00 0.00 C ATOM 0 HA PRO A 50 4.537 9.037 -9.413 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.759 9.780 -12.081 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.945 8.295 -11.631 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.753 10.976 -12.312 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.225 9.379 -12.806 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.002 10.721 -10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.112 8.972 -10.781 1.00 0.00 H new ATOM 755 N GLU A 51 4.211 12.183 -10.223 1.00 0.00 N ATOM 756 CA GLU A 51 4.873 13.478 -10.122 1.00 0.00 C ATOM 757 C GLU A 51 5.158 13.832 -8.665 1.00 0.00 C ATOM 758 O GLU A 51 6.106 14.557 -8.365 1.00 0.00 O ATOM 759 CB GLU A 51 4.011 14.568 -10.763 1.00 0.00 C ATOM 760 CG GLU A 51 2.601 14.638 -10.200 1.00 0.00 C ATOM 761 CD GLU A 51 1.888 15.923 -10.574 1.00 0.00 C ATOM 762 OE1 GLU A 51 2.160 16.961 -9.935 1.00 0.00 O ATOM 763 OE2 GLU A 51 1.056 15.890 -11.505 1.00 0.00 O ATOM 0 H GLU A 51 3.255 12.224 -10.575 1.00 0.00 H new ATOM 0 HA GLU A 51 5.822 13.414 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.497 15.533 -10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.956 14.391 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.025 13.788 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.642 14.552 -9.114 1.00 0.00 H new ATOM 770 N ALA A 52 4.330 13.313 -7.764 1.00 0.00 N ATOM 771 CA ALA A 52 4.493 13.572 -6.338 1.00 0.00 C ATOM 772 C ALA A 52 5.901 13.218 -5.874 1.00 0.00 C ATOM 773 O ALA A 52 6.488 13.919 -5.049 1.00 0.00 O ATOM 774 CB ALA A 52 3.459 12.792 -5.539 1.00 0.00 C ATOM 0 H ALA A 52 3.540 12.711 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 52 4.340 14.638 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.592 12.994 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.458 13.097 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.585 11.725 -5.724 1.00 0.00 H new ATOM 780 N PHE A 53 6.438 12.126 -6.407 1.00 0.00 N ATOM 781 CA PHE A 53 7.778 11.677 -6.046 1.00 0.00 C ATOM 782 C PHE A 53 8.345 10.743 -7.111 1.00 0.00 C ATOM 783 O PHE A 53 7.599 10.140 -7.883 1.00 0.00 O ATOM 784 CB PHE A 53 7.753 10.969 -4.690 1.00 0.00 C ATOM 785 CG PHE A 53 7.218 9.567 -4.756 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.875 9.335 -5.007 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.058 8.481 -4.569 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.380 8.046 -5.068 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.568 7.189 -4.629 1.00 0.00 C ATOM 790 CZ PHE A 53 6.228 6.972 -4.880 1.00 0.00 C ATOM 0 H PHE A 53 5.966 11.535 -7.091 1.00 0.00 H new ATOM 0 HA PHE A 53 8.422 12.554 -5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.764 10.945 -4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.144 11.550 -3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.208 10.171 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.107 8.645 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.331 7.879 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.233 6.351 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.843 5.964 -4.929 1.00 0.00 H new ATOM 800 N ASP A 54 9.668 10.629 -7.145 1.00 0.00 N ATOM 801 CA ASP A 54 10.336 9.768 -8.114 1.00 0.00 C ATOM 802 C ASP A 54 10.506 8.357 -7.561 1.00 0.00 C ATOM 803 O ASP A 54 10.963 8.173 -6.432 1.00 0.00 O ATOM 804 CB ASP A 54 11.699 10.350 -8.490 1.00 0.00 C ATOM 805 CG ASP A 54 11.585 11.526 -9.440 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.953 12.534 -9.061 1.00 0.00 O ATOM 807 OD2 ASP A 54 12.126 11.438 -10.562 1.00 0.00 O ATOM 0 H ASP A 54 10.299 11.122 -6.513 1.00 0.00 H new ATOM 0 HA ASP A 54 9.713 9.716 -9.007 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.218 10.667 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.308 9.572 -8.951 1.00 0.00 H new ATOM 812 N TYR A 55 10.135 7.364 -8.361 1.00 0.00 N ATOM 813 CA TYR A 55 10.244 5.969 -7.950 1.00 0.00 C ATOM 814 C TYR A 55 11.645 5.429 -8.219 1.00 0.00 C ATOM 815 O TYR A 55 12.365 5.052 -7.296 1.00 0.00 O ATOM 816 CB TYR A 55 9.207 5.117 -8.685 1.00 0.00 C ATOM 817 CG TYR A 55 9.110 3.701 -8.165 1.00 0.00 C ATOM 818 CD1 TYR A 55 8.849 3.449 -6.824 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.279 2.614 -9.014 1.00 0.00 C ATOM 820 CE1 TYR A 55 8.759 2.156 -6.344 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.190 1.319 -8.544 1.00 0.00 C ATOM 822 CZ TYR A 55 8.930 1.095 -7.208 1.00 0.00 C ATOM 823 OH TYR A 55 8.842 -0.194 -6.735 1.00 0.00 O ATOM 0 H TYR A 55 9.756 7.499 -9.298 1.00 0.00 H new ATOM 0 HA TYR A 55 10.054 5.917 -6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.231 5.594 -8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.457 5.090 -9.746 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.714 4.278 -6.145 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.484 2.785 -10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.556 1.978 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 55 9.323 0.486 -9.218 1.00 0.00 H new ATOM 0 HH TYR A 55 8.367 -0.196 -5.878 1.00 0.00 H new ATOM 833 N GLY A 56 12.025 5.397 -9.493 1.00 0.00 N ATOM 834 CA GLY A 56 13.339 4.903 -9.862 1.00 0.00 C ATOM 835 C GLY A 56 14.456 5.634 -9.145 1.00 0.00 C ATOM 836 O GLY A 56 15.597 5.172 -9.127 1.00 0.00 O ATOM 0 H GLY A 56 11.447 5.704 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.401 3.839 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.474 5.007 -10.939 1.00 0.00 H new ATOM 840 N GLN A 57 14.129 6.778 -8.553 1.00 0.00 N ATOM 841 CA GLN A 57 15.115 7.575 -7.834 1.00 0.00 C ATOM 842 C GLN A 57 15.511 6.899 -6.525 1.00 0.00 C ATOM 843 O GLN A 57 16.671 6.950 -6.114 1.00 0.00 O ATOM 844 CB GLN A 57 14.564 8.974 -7.552 1.00 0.00 C ATOM 845 CG GLN A 57 14.786 9.956 -8.691 1.00 0.00 C ATOM 846 CD GLN A 57 16.247 10.318 -8.874 1.00 0.00 C ATOM 847 OE1 GLN A 57 17.138 9.576 -8.459 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.500 11.463 -9.497 1.00 0.00 N ATOM 0 H GLN A 57 13.189 7.174 -8.557 1.00 0.00 H new ATOM 0 HA GLN A 57 16.002 7.661 -8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.495 8.901 -7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 57 15.033 9.365 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.404 9.525 -9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.212 10.863 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.730 12.047 -9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.464 11.759 -9.648 1.00 0.00 H new ATOM 857 N LEU A 58 14.541 6.267 -5.874 1.00 0.00 N ATOM 858 CA LEU A 58 14.788 5.581 -4.611 1.00 0.00 C ATOM 859 C LEU A 58 15.607 4.313 -4.831 1.00 0.00 C ATOM 860 O LEU A 58 15.802 3.877 -5.966 1.00 0.00 O ATOM 861 CB LEU A 58 13.463 5.233 -3.929 1.00 0.00 C ATOM 862 CG LEU A 58 12.489 6.394 -3.724 1.00 0.00 C ATOM 863 CD1 LEU A 58 11.064 5.879 -3.602 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.874 7.202 -2.494 1.00 0.00 C ATOM 0 H LEU A 58 13.576 6.215 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 58 15.356 6.252 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.963 4.466 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.683 4.793 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 58 12.544 7.048 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.385 6.719 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.791 5.345 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.993 5.203 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.170 8.024 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.849 6.559 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.880 7.602 -2.622 1.00 0.00 H new ATOM 876 N SER A 59 16.083 3.725 -3.739 1.00 0.00 N ATOM 877 CA SER A 59 16.883 2.508 -3.812 1.00 0.00 C ATOM 878 C SER A 59 16.328 1.435 -2.880 1.00 0.00 C ATOM 879 O SER A 59 15.702 1.727 -1.861 1.00 0.00 O ATOM 880 CB SER A 59 18.340 2.807 -3.454 1.00 0.00 C ATOM 881 OG SER A 59 19.040 3.336 -4.566 1.00 0.00 O ATOM 0 H SER A 59 15.929 4.072 -2.792 1.00 0.00 H new ATOM 0 HA SER A 59 16.837 2.134 -4.835 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.376 3.516 -2.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.829 1.894 -3.113 1.00 0.00 H new ATOM 0 HG SER A 59 19.968 3.520 -4.311 1.00 0.00 H new ATOM 887 N PRO A 60 16.562 0.164 -3.236 1.00 0.00 N ATOM 888 CA PRO A 60 16.095 -0.979 -2.445 1.00 0.00 C ATOM 889 C PRO A 60 16.839 -1.109 -1.120 1.00 0.00 C ATOM 890 O PRO A 60 16.289 -1.602 -0.136 1.00 0.00 O ATOM 891 CB PRO A 60 16.393 -2.180 -3.346 1.00 0.00 C ATOM 892 CG PRO A 60 17.513 -1.729 -4.219 1.00 0.00 C ATOM 893 CD PRO A 60 17.302 -0.257 -4.438 1.00 0.00 C ATOM 0 HA PRO A 60 15.044 -0.884 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.675 -3.054 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.520 -2.460 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.477 -1.919 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.511 -2.268 -5.166 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.249 0.275 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.734 -0.063 -5.348 1.00 0.00 H new ATOM 901 N GLN A 61 18.091 -0.665 -1.104 1.00 0.00 N ATOM 902 CA GLN A 61 18.910 -0.733 0.101 1.00 0.00 C ATOM 903 C GLN A 61 18.334 0.152 1.202 1.00 0.00 C ATOM 904 O GLN A 61 18.474 -0.145 2.387 1.00 0.00 O ATOM 905 CB GLN A 61 20.347 -0.311 -0.209 1.00 0.00 C ATOM 906 CG GLN A 61 21.275 -0.384 0.993 1.00 0.00 C ATOM 907 CD GLN A 61 22.738 -0.275 0.609 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.069 0.094 -0.518 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.622 -0.595 1.546 1.00 0.00 N ATOM 0 H GLN A 61 18.561 -0.254 -1.911 1.00 0.00 H new ATOM 0 HA GLN A 61 18.909 -1.765 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.741 -0.948 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.343 0.709 -0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.025 0.417 1.689 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.110 -1.325 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.303 -0.896 2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.621 -0.540 1.345 1.00 0.00 H new ATOM 918 N ASN A 62 17.685 1.240 0.800 1.00 0.00 N ATOM 919 CA ASN A 62 17.088 2.169 1.753 1.00 0.00 C ATOM 920 C ASN A 62 15.797 1.600 2.332 1.00 0.00 C ATOM 921 O ASN A 62 14.791 1.479 1.632 1.00 0.00 O ATOM 922 CB ASN A 62 16.808 3.514 1.078 1.00 0.00 C ATOM 923 CG ASN A 62 18.006 4.444 1.123 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.581 4.682 2.185 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.386 4.974 -0.033 1.00 0.00 N ATOM 0 H ASN A 62 17.559 1.500 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 62 17.796 2.319 2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.522 3.344 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.960 3.994 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.185 5.607 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.879 4.748 -0.889 1.00 0.00 H new ATOM 932 N ARG A 63 15.833 1.252 3.614 1.00 0.00 N ATOM 933 CA ARG A 63 14.666 0.695 4.288 1.00 0.00 C ATOM 934 C ARG A 63 13.738 1.804 4.774 1.00 0.00 C ATOM 935 O ARG A 63 12.523 1.621 4.851 1.00 0.00 O ATOM 936 CB ARG A 63 15.100 -0.176 5.468 1.00 0.00 C ATOM 937 CG ARG A 63 16.228 -1.138 5.133 1.00 0.00 C ATOM 938 CD ARG A 63 17.097 -1.422 6.349 1.00 0.00 C ATOM 939 NE ARG A 63 17.931 -0.278 6.705 1.00 0.00 N ATOM 940 CZ ARG A 63 18.776 -0.275 7.730 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.897 -1.350 8.496 1.00 0.00 N ATOM 942 NH2 ARG A 63 19.501 0.805 7.990 1.00 0.00 N ATOM 0 H ARG A 63 16.658 1.346 4.207 1.00 0.00 H new ATOM 0 HA ARG A 63 14.123 0.079 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.416 0.469 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.241 -0.746 5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.811 -2.072 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.841 -0.718 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.462 -1.685 7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.732 -2.285 6.147 1.00 0.00 H new ATOM 0 HE ARG A 63 17.861 0.565 6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.341 -2.182 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.547 -1.345 9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 63 19.410 1.634 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 63 20.150 0.806 8.777 1.00 0.00 H new ATOM 956 N ARG A 64 14.318 2.954 5.100 1.00 0.00 N ATOM 957 CA ARG A 64 13.544 4.092 5.581 1.00 0.00 C ATOM 958 C ARG A 64 13.008 4.916 4.414 1.00 0.00 C ATOM 959 O ARG A 64 11.797 5.014 4.215 1.00 0.00 O ATOM 960 CB ARG A 64 14.402 4.973 6.490 1.00 0.00 C ATOM 961 CG ARG A 64 14.999 4.229 7.673 1.00 0.00 C ATOM 962 CD ARG A 64 15.745 5.171 8.605 1.00 0.00 C ATOM 963 NE ARG A 64 17.126 5.383 8.179 1.00 0.00 N ATOM 964 CZ ARG A 64 17.485 6.289 7.277 1.00 0.00 C ATOM 965 NH1 ARG A 64 16.571 7.063 6.709 1.00 0.00 N ATOM 966 NH2 ARG A 64 18.762 6.423 6.941 1.00 0.00 N ATOM 0 H ARG A 64 15.322 3.123 5.040 1.00 0.00 H new ATOM 0 HA ARG A 64 12.698 3.709 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.209 5.410 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.794 5.799 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.206 3.723 8.224 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.679 3.457 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.226 6.129 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.736 4.763 9.616 1.00 0.00 H new ATOM 0 HE ARG A 64 17.854 4.804 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.589 6.964 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.850 7.758 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.469 5.830 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.037 7.119 6.248 1.00 0.00 H new ATOM 980 N GLN A 65 13.918 5.507 3.646 1.00 0.00 N ATOM 981 CA GLN A 65 13.536 6.324 2.500 1.00 0.00 C ATOM 982 C GLN A 65 12.327 5.728 1.786 1.00 0.00 C ATOM 983 O GLN A 65 11.314 6.399 1.595 1.00 0.00 O ATOM 984 CB GLN A 65 14.708 6.452 1.525 1.00 0.00 C ATOM 985 CG GLN A 65 14.642 7.698 0.656 1.00 0.00 C ATOM 986 CD GLN A 65 14.458 8.966 1.467 1.00 0.00 C ATOM 987 OE1 GLN A 65 13.338 9.329 1.826 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.560 9.647 1.759 1.00 0.00 N ATOM 0 H GLN A 65 14.924 5.435 3.796 1.00 0.00 H new ATOM 0 HA GLN A 65 13.267 7.315 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.640 6.462 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.733 5.572 0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.557 7.776 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.818 7.600 -0.051 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.468 9.309 1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.498 10.508 2.302 1.00 0.00 H new ATOM 997 N ASN A 66 12.443 4.464 1.392 1.00 0.00 N ATOM 998 CA ASN A 66 11.359 3.778 0.698 1.00 0.00 C ATOM 999 C ASN A 66 10.043 3.935 1.453 1.00 0.00 C ATOM 1000 O ASN A 66 9.017 4.284 0.868 1.00 0.00 O ATOM 1001 CB ASN A 66 11.691 2.293 0.533 1.00 0.00 C ATOM 1002 CG ASN A 66 12.782 2.055 -0.494 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.181 2.969 -1.215 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.269 0.822 -0.564 1.00 0.00 N ATOM 0 H ASN A 66 13.276 3.894 1.541 1.00 0.00 H new ATOM 0 HA ASN A 66 11.248 4.231 -0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.005 1.885 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.792 1.753 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.004 0.601 -1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.908 0.095 0.054 1.00 0.00 H new ATOM 1011 N PHE A 67 10.080 3.676 2.756 1.00 0.00 N ATOM 1012 CA PHE A 67 8.890 3.789 3.591 1.00 0.00 C ATOM 1013 C PHE A 67 8.448 5.244 3.715 1.00 0.00 C ATOM 1014 O PHE A 67 7.396 5.628 3.207 1.00 0.00 O ATOM 1015 CB PHE A 67 9.160 3.206 4.980 1.00 0.00 C ATOM 1016 CG PHE A 67 8.999 1.714 5.046 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.839 0.881 4.326 1.00 0.00 C ATOM 1018 CD2 PHE A 67 8.007 1.145 5.829 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.692 -0.492 4.384 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.855 -0.227 5.891 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.700 -1.047 5.169 1.00 0.00 C ATOM 0 H PHE A 67 10.921 3.387 3.256 1.00 0.00 H new ATOM 0 HA PHE A 67 8.088 3.224 3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.173 3.468 5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.482 3.669 5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.618 1.309 3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.345 1.781 6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.352 -1.131 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.076 -0.658 6.503 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.585 -2.120 5.218 1.00 0.00 H new ATOM 1031 N GLU A 68 9.260 6.047 4.395 1.00 0.00 N ATOM 1032 CA GLU A 68 8.952 7.460 4.586 1.00 0.00 C ATOM 1033 C GLU A 68 8.373 8.068 3.312 1.00 0.00 C ATOM 1034 O GLU A 68 7.198 8.432 3.263 1.00 0.00 O ATOM 1035 CB GLU A 68 10.208 8.226 5.005 1.00 0.00 C ATOM 1036 CG GLU A 68 10.817 7.733 6.307 1.00 0.00 C ATOM 1037 CD GLU A 68 10.171 8.361 7.528 1.00 0.00 C ATOM 1038 OE1 GLU A 68 10.554 9.494 7.885 1.00 0.00 O ATOM 1039 OE2 GLU A 68 9.283 7.717 8.125 1.00 0.00 O ATOM 0 H GLU A 68 10.135 5.744 4.822 1.00 0.00 H new ATOM 0 HA GLU A 68 8.206 7.539 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.953 8.147 4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.962 9.283 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.716 6.649 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.884 7.954 6.311 1.00 0.00 H new ATOM 1046 N VAL A 69 9.207 8.175 2.283 1.00 0.00 N ATOM 1047 CA VAL A 69 8.779 8.739 1.008 1.00 0.00 C ATOM 1048 C VAL A 69 7.398 8.226 0.616 1.00 0.00 C ATOM 1049 O VAL A 69 6.512 9.005 0.266 1.00 0.00 O ATOM 1050 CB VAL A 69 9.777 8.403 -0.117 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.256 8.900 -1.458 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.142 8.999 0.188 1.00 0.00 C ATOM 0 H VAL A 69 10.183 7.879 2.307 1.00 0.00 H new ATOM 0 HA VAL A 69 8.739 9.820 1.138 1.00 0.00 H new ATOM 0 HB VAL A 69 9.884 7.320 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.973 8.654 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.301 8.422 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.119 9.981 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.835 8.752 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.055 10.082 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.516 8.590 1.127 1.00 0.00 H new ATOM 1062 N ALA A 70 7.221 6.910 0.679 1.00 0.00 N ATOM 1063 CA ALA A 70 5.947 6.293 0.334 1.00 0.00 C ATOM 1064 C ALA A 70 4.809 6.885 1.159 1.00 0.00 C ATOM 1065 O ALA A 70 3.701 7.080 0.657 1.00 0.00 O ATOM 1066 CB ALA A 70 6.018 4.786 0.534 1.00 0.00 C ATOM 0 H ALA A 70 7.945 6.251 0.966 1.00 0.00 H new ATOM 0 HA ALA A 70 5.745 6.499 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.059 4.339 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.798 4.371 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.248 4.568 1.577 1.00 0.00 H new ATOM 1072 N PHE A 71 5.088 7.168 2.427 1.00 0.00 N ATOM 1073 CA PHE A 71 4.087 7.736 3.322 1.00 0.00 C ATOM 1074 C PHE A 71 3.849 9.210 3.006 1.00 0.00 C ATOM 1075 O PHE A 71 2.714 9.635 2.794 1.00 0.00 O ATOM 1076 CB PHE A 71 4.528 7.579 4.779 1.00 0.00 C ATOM 1077 CG PHE A 71 4.490 6.160 5.267 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.304 5.443 5.263 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.640 5.541 5.731 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.265 4.136 5.711 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.608 4.235 6.180 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.419 3.532 6.171 1.00 0.00 C ATOM 0 H PHE A 71 5.999 7.013 2.858 1.00 0.00 H new ATOM 0 HA PHE A 71 3.152 7.195 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.542 7.965 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.885 8.190 5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.399 5.911 4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.572 6.086 5.742 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.334 3.588 5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.512 3.764 6.538 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.392 2.511 6.523 1.00 0.00 H new ATOM 1092 N SER A 72 4.929 9.984 2.977 1.00 0.00 N ATOM 1093 CA SER A 72 4.839 11.412 2.692 1.00 0.00 C ATOM 1094 C SER A 72 4.179 11.654 1.338 1.00 0.00 C ATOM 1095 O SER A 72 3.170 12.354 1.243 1.00 0.00 O ATOM 1096 CB SER A 72 6.230 12.047 2.715 1.00 0.00 C ATOM 1097 OG SER A 72 7.135 11.323 1.900 1.00 0.00 O ATOM 0 H SER A 72 5.876 9.647 3.147 1.00 0.00 H new ATOM 0 HA SER A 72 4.224 11.874 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.168 13.078 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.602 12.077 3.739 1.00 0.00 H new ATOM 0 HG SER A 72 8.016 11.750 1.931 1.00 0.00 H new ATOM 1103 N SER A 73 4.756 11.071 0.293 1.00 0.00 N ATOM 1104 CA SER A 73 4.227 11.226 -1.057 1.00 0.00 C ATOM 1105 C SER A 73 2.702 11.253 -1.044 1.00 0.00 C ATOM 1106 O SER A 73 2.076 11.970 -1.824 1.00 0.00 O ATOM 1107 CB SER A 73 4.721 10.090 -1.955 1.00 0.00 C ATOM 1108 OG SER A 73 6.088 10.259 -2.287 1.00 0.00 O ATOM 0 H SER A 73 5.590 10.487 0.355 1.00 0.00 H new ATOM 0 HA SER A 73 4.586 12.176 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.582 9.135 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.124 10.057 -2.866 1.00 0.00 H new ATOM 0 HG SER A 73 6.340 9.610 -2.976 1.00 0.00 H new ATOM 1114 N ALA A 74 2.111 10.467 -0.151 1.00 0.00 N ATOM 1115 CA ALA A 74 0.659 10.401 -0.033 1.00 0.00 C ATOM 1116 C ALA A 74 0.115 11.607 0.725 1.00 0.00 C ATOM 1117 O ALA A 74 -0.681 12.378 0.191 1.00 0.00 O ATOM 1118 CB ALA A 74 0.243 9.110 0.657 1.00 0.00 C ATOM 0 H ALA A 74 2.615 9.867 0.502 1.00 0.00 H new ATOM 0 HA ALA A 74 0.237 10.415 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.843 9.075 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.591 8.257 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.683 9.072 1.654 1.00 0.00 H new ATOM 1124 N GLU A 75 0.549 11.762 1.972 1.00 0.00 N ATOM 1125 CA GLU A 75 0.103 12.874 2.803 1.00 0.00 C ATOM 1126 C GLU A 75 0.114 14.181 2.014 1.00 0.00 C ATOM 1127 O GLU A 75 -0.631 15.112 2.322 1.00 0.00 O ATOM 1128 CB GLU A 75 0.993 13.004 4.040 1.00 0.00 C ATOM 1129 CG GLU A 75 0.579 14.131 4.972 1.00 0.00 C ATOM 1130 CD GLU A 75 1.418 14.182 6.234 1.00 0.00 C ATOM 1131 OE1 GLU A 75 1.946 13.124 6.638 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.545 15.278 6.819 1.00 0.00 O ATOM 0 H GLU A 75 1.209 11.132 2.429 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.920 12.670 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.975 12.063 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.022 13.167 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.663 15.082 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.470 14.007 5.242 1.00 0.00 H new ATOM 1139 N THR A 76 0.965 14.243 0.995 1.00 0.00 N ATOM 1140 CA THR A 76 1.076 15.435 0.164 1.00 0.00 C ATOM 1141 C THR A 76 -0.299 15.996 -0.179 1.00 0.00 C ATOM 1142 O THR A 76 -0.709 17.029 0.352 1.00 0.00 O ATOM 1143 CB THR A 76 1.837 15.139 -1.143 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.123 14.583 -0.846 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.006 16.406 -1.969 1.00 0.00 C ATOM 0 H THR A 76 1.588 13.481 0.725 1.00 0.00 H new ATOM 0 HA THR A 76 1.633 16.173 0.742 1.00 0.00 H new ATOM 0 HB THR A 76 1.256 14.421 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.600 14.396 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.546 16.173 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.025 16.812 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.568 17.142 -1.395 1.00 0.00 H new ATOM 1153 N HIS A 77 -1.009 15.310 -1.069 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.340 15.740 -1.481 1.00 0.00 C ATOM 1155 C HIS A 77 -3.403 14.762 -0.990 1.00 0.00 C ATOM 1156 O HIS A 77 -4.594 15.074 -0.986 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.410 15.866 -3.003 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.498 14.922 -3.724 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.755 15.288 -4.827 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.211 13.619 -3.495 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.051 14.251 -5.245 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.309 13.226 -4.453 1.00 0.00 N ATOM 0 H HIS A 77 -0.685 14.454 -1.519 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.534 16.715 -1.034 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.435 15.687 -3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.160 16.888 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.616 13.003 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.621 14.243 -6.090 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.096 12.294 -4.539 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.965 13.576 -0.578 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.879 12.554 -0.085 1.00 0.00 C ATOM 1173 C ALA A 78 -4.118 12.708 1.413 1.00 0.00 C ATOM 1174 O ALA A 78 -5.052 12.125 1.966 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.335 11.167 -0.394 1.00 0.00 C ATOM 0 H ALA A 78 -1.983 13.300 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.835 12.680 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.028 10.413 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.221 11.053 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.366 11.040 0.089 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.270 13.496 2.065 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.390 13.727 3.500 1.00 0.00 C ATOM 1183 C ASP A 79 -3.805 12.450 4.224 1.00 0.00 C ATOM 1184 O ASP A 79 -4.709 12.464 5.060 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.406 14.837 3.776 1.00 0.00 C ATOM 1186 CG ASP A 79 -4.087 15.614 5.038 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.350 16.618 4.946 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.574 15.218 6.118 1.00 0.00 O ATOM 0 H ASP A 79 -2.492 13.986 1.623 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.414 14.035 3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.431 15.521 2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.401 14.401 3.863 1.00 0.00 H new ATOM 1193 N CYS A 80 -3.139 11.348 3.896 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.439 10.061 4.513 1.00 0.00 C ATOM 1195 C CYS A 80 -2.730 9.924 5.857 1.00 0.00 C ATOM 1196 O CYS A 80 -1.582 10.335 6.025 1.00 0.00 O ATOM 1197 CB CYS A 80 -3.025 8.918 3.585 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.919 7.308 4.400 1.00 0.00 S ATOM 0 H CYS A 80 -2.388 11.320 3.206 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.514 10.009 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.741 8.852 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.057 9.155 3.144 1.00 0.00 H new ATOM 0 HG CYS A 80 -2.240 7.424 5.502 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.429 9.334 6.837 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.887 9.130 8.184 1.00 0.00 C ATOM 1206 C PRO A 81 -1.779 8.083 8.210 1.00 0.00 C ATOM 1207 O PRO A 81 -1.927 6.997 7.650 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.099 8.647 8.985 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.001 8.031 7.972 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.803 8.820 6.707 1.00 0.00 C ATOM 0 HA PRO A 81 -2.431 10.037 8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.807 7.924 9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.588 9.474 9.500 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.756 6.980 7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.040 8.072 8.299 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.916 8.195 5.821 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.528 9.629 6.620 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.671 8.416 8.864 1.00 0.00 N ATOM 1219 CA GLN A 82 0.461 7.503 8.963 1.00 0.00 C ATOM 1220 C GLN A 82 0.288 6.545 10.136 1.00 0.00 C ATOM 1221 O GLN A 82 0.569 6.894 11.284 1.00 0.00 O ATOM 1222 CB GLN A 82 1.765 8.288 9.119 1.00 0.00 C ATOM 1223 CG GLN A 82 2.099 9.157 7.917 1.00 0.00 C ATOM 1224 CD GLN A 82 3.208 10.150 8.205 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.926 10.025 9.198 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.354 11.143 7.336 1.00 0.00 N ATOM 0 H GLN A 82 -0.533 9.311 9.333 1.00 0.00 H new ATOM 0 HA GLN A 82 0.504 6.919 8.044 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.696 8.919 10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.583 7.588 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.395 8.520 7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.205 9.697 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.736 11.208 6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.084 11.841 7.477 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.177 5.335 9.842 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.389 4.326 10.874 1.00 0.00 C ATOM 1237 C LEU A 83 0.888 3.531 11.128 1.00 0.00 C ATOM 1238 O LEU A 83 1.401 3.502 12.248 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.519 3.379 10.464 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.684 4.014 9.705 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.433 2.964 8.900 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.626 4.722 10.669 1.00 0.00 C ATOM 0 H LEU A 83 -0.414 5.029 8.898 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.667 4.837 11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.096 2.588 9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.913 2.905 11.363 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.281 4.753 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.259 3.435 8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.754 2.503 8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.824 2.201 9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.449 5.168 10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.021 4.002 11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.083 5.503 11.201 1.00 0.00 H new ATOM 1254 N LEU A 84 1.397 2.889 10.083 1.00 0.00 N ATOM 1255 CA LEU A 84 2.616 2.096 10.192 1.00 0.00 C ATOM 1256 C LEU A 84 3.734 2.901 10.846 1.00 0.00 C ATOM 1257 O LEU A 84 3.782 4.126 10.727 1.00 0.00 O ATOM 1258 CB LEU A 84 3.061 1.615 8.809 1.00 0.00 C ATOM 1259 CG LEU A 84 2.012 0.863 7.990 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.491 0.665 6.561 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.689 -0.476 8.637 1.00 0.00 C ATOM 0 H LEU A 84 0.984 2.902 9.150 1.00 0.00 H new ATOM 0 HA LEU A 84 2.401 1.231 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.390 2.481 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.929 0.967 8.934 1.00 0.00 H new ATOM 0 HG LEU A 84 1.101 1.461 7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.731 0.128 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.670 1.636 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.416 0.089 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.941 -0.997 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.594 -1.081 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.301 -0.310 9.642 1.00 0.00 H new ATOM 1273 N ASP A 85 4.631 2.206 11.537 1.00 0.00 N ATOM 1274 CA ASP A 85 5.751 2.856 12.208 1.00 0.00 C ATOM 1275 C ASP A 85 7.063 2.555 11.491 1.00 0.00 C ATOM 1276 O ASP A 85 7.799 1.645 11.875 1.00 0.00 O ATOM 1277 CB ASP A 85 5.835 2.399 13.665 1.00 0.00 C ATOM 1278 CG ASP A 85 4.974 3.241 14.586 1.00 0.00 C ATOM 1279 OD1 ASP A 85 5.439 4.319 15.013 1.00 0.00 O ATOM 1280 OD2 ASP A 85 3.834 2.823 14.879 1.00 0.00 O ATOM 0 H ASP A 85 4.604 1.192 11.647 1.00 0.00 H new ATOM 0 HA ASP A 85 5.583 3.933 12.182 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.524 1.356 13.734 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.872 2.446 13.998 1.00 0.00 H new ATOM 1285 N THR A 86 7.351 3.325 10.446 1.00 0.00 N ATOM 1286 CA THR A 86 8.573 3.140 9.673 1.00 0.00 C ATOM 1287 C THR A 86 9.723 2.684 10.564 1.00 0.00 C ATOM 1288 O THR A 86 10.396 1.697 10.267 1.00 0.00 O ATOM 1289 CB THR A 86 8.982 4.437 8.950 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.837 5.038 8.336 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.041 4.156 7.894 1.00 0.00 C ATOM 0 H THR A 86 6.754 4.083 10.115 1.00 0.00 H new ATOM 0 HA THR A 86 8.364 2.370 8.931 1.00 0.00 H new ATOM 0 HB THR A 86 9.399 5.122 9.688 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.021 5.983 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.314 5.086 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.923 3.726 8.369 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.645 3.454 7.160 1.00 0.00 H new ATOM 1299 N GLU A 87 9.941 3.407 11.658 1.00 0.00 N ATOM 1300 CA GLU A 87 11.011 3.076 12.592 1.00 0.00 C ATOM 1301 C GLU A 87 10.958 1.600 12.977 1.00 0.00 C ATOM 1302 O GLU A 87 11.972 0.902 12.943 1.00 0.00 O ATOM 1303 CB GLU A 87 10.910 3.945 13.847 1.00 0.00 C ATOM 1304 CG GLU A 87 11.042 5.433 13.568 1.00 0.00 C ATOM 1305 CD GLU A 87 10.339 6.285 14.607 1.00 0.00 C ATOM 1306 OE1 GLU A 87 9.091 6.268 14.642 1.00 0.00 O ATOM 1307 OE2 GLU A 87 11.037 6.969 15.385 1.00 0.00 O ATOM 0 H GLU A 87 9.391 4.225 11.919 1.00 0.00 H new ATOM 0 HA GLU A 87 11.963 3.272 12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.952 3.758 14.332 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.687 3.645 14.550 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.098 5.701 13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.629 5.652 12.583 1.00 0.00 H new ATOM 1314 N ASP A 88 9.770 1.132 13.343 1.00 0.00 N ATOM 1315 CA ASP A 88 9.584 -0.260 13.734 1.00 0.00 C ATOM 1316 C ASP A 88 9.627 -1.178 12.516 1.00 0.00 C ATOM 1317 O ASP A 88 10.063 -2.325 12.605 1.00 0.00 O ATOM 1318 CB ASP A 88 8.255 -0.432 14.471 1.00 0.00 C ATOM 1319 CG ASP A 88 8.382 -0.178 15.960 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.447 -0.498 16.529 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.416 0.341 16.557 1.00 0.00 O ATOM 0 H ASP A 88 8.921 1.697 13.377 1.00 0.00 H new ATOM 0 HA ASP A 88 10.400 -0.535 14.403 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.518 0.252 14.050 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.881 -1.443 14.308 1.00 0.00 H new ATOM 1326 N MET A 89 9.169 -0.664 11.379 1.00 0.00 N ATOM 1327 CA MET A 89 9.156 -1.437 10.142 1.00 0.00 C ATOM 1328 C MET A 89 10.573 -1.809 9.718 1.00 0.00 C ATOM 1329 O MET A 89 10.816 -2.913 9.231 1.00 0.00 O ATOM 1330 CB MET A 89 8.468 -0.645 9.028 1.00 0.00 C ATOM 1331 CG MET A 89 7.018 -0.306 9.329 1.00 0.00 C ATOM 1332 SD MET A 89 6.002 -1.773 9.593 1.00 0.00 S ATOM 1333 CE MET A 89 5.060 -1.810 8.070 1.00 0.00 C ATOM 0 H MET A 89 8.802 0.283 11.289 1.00 0.00 H new ATOM 0 HA MET A 89 8.598 -2.356 10.323 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.020 0.279 8.856 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.513 -1.220 8.103 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.973 0.327 10.216 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.605 0.273 8.503 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.253 -2.538 8.159 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.639 -0.823 7.879 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.714 -2.092 7.245 1.00 0.00 H new ATOM 1343 N VAL A 90 11.505 -0.880 9.906 1.00 0.00 N ATOM 1344 CA VAL A 90 12.898 -1.111 9.543 1.00 0.00 C ATOM 1345 C VAL A 90 13.473 -2.302 10.302 1.00 0.00 C ATOM 1346 O VAL A 90 13.748 -3.350 9.717 1.00 0.00 O ATOM 1347 CB VAL A 90 13.765 0.130 9.825 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.240 -0.242 9.851 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.498 1.212 8.789 1.00 0.00 C ATOM 0 H VAL A 90 11.321 0.039 10.307 1.00 0.00 H new ATOM 0 HA VAL A 90 12.916 -1.322 8.474 1.00 0.00 H new ATOM 0 HB VAL A 90 13.497 0.523 10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.836 0.648 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.415 -0.980 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.527 -0.661 8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.119 2.082 9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.737 0.832 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.447 1.499 8.825 1.00 0.00 H new ATOM 1359 N ARG A 91 13.653 -2.134 11.608 1.00 0.00 N ATOM 1360 CA ARG A 91 14.196 -3.195 12.447 1.00 0.00 C ATOM 1361 C ARG A 91 13.462 -4.510 12.204 1.00 0.00 C ATOM 1362 O ARG A 91 14.085 -5.558 12.030 1.00 0.00 O ATOM 1363 CB ARG A 91 14.096 -2.807 13.924 1.00 0.00 C ATOM 1364 CG ARG A 91 12.720 -2.306 14.330 1.00 0.00 C ATOM 1365 CD ARG A 91 12.690 -1.881 15.790 1.00 0.00 C ATOM 1366 NE ARG A 91 12.714 -3.028 16.694 1.00 0.00 N ATOM 1367 CZ ARG A 91 11.669 -3.821 16.902 1.00 0.00 C ATOM 1368 NH1 ARG A 91 10.524 -3.594 16.274 1.00 0.00 N ATOM 1369 NH2 ARG A 91 11.769 -4.845 17.740 1.00 0.00 N ATOM 0 H ARG A 91 13.431 -1.273 12.108 1.00 0.00 H new ATOM 0 HA ARG A 91 15.245 -3.331 12.184 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.354 -3.671 14.536 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.833 -2.033 14.138 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.438 -1.463 13.699 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.982 -3.091 14.163 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.545 -1.237 15.998 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.793 -1.290 15.977 1.00 0.00 H new ATOM 0 HE ARG A 91 13.580 -3.231 17.193 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.443 -2.808 15.629 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.724 -4.205 16.436 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.649 -5.023 18.225 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.966 -5.454 17.899 1.00 0.00 H new ATOM 1383 N LEU A 92 12.135 -4.448 12.195 1.00 0.00 N ATOM 1384 CA LEU A 92 11.315 -5.634 11.974 1.00 0.00 C ATOM 1385 C LEU A 92 11.700 -6.327 10.671 1.00 0.00 C ATOM 1386 O LEU A 92 11.528 -5.771 9.586 1.00 0.00 O ATOM 1387 CB LEU A 92 9.833 -5.256 11.945 1.00 0.00 C ATOM 1388 CG LEU A 92 9.204 -4.904 13.294 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.817 -4.314 13.098 1.00 0.00 C ATOM 1390 CD2 LEU A 92 9.141 -6.133 14.189 1.00 0.00 C ATOM 0 H LEU A 92 11.604 -3.589 12.338 1.00 0.00 H new ATOM 0 HA LEU A 92 11.491 -6.326 12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.709 -4.405 11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.275 -6.086 11.512 1.00 0.00 H new ATOM 0 HG LEU A 92 9.829 -4.156 13.781 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.385 -4.070 14.068 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.888 -3.409 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.181 -5.039 12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.691 -5.864 15.145 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.538 -6.903 13.708 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.149 -6.513 14.357 1.00 0.00 H new ATOM 1402 N ARG A 93 12.220 -7.545 10.785 1.00 0.00 N ATOM 1403 CA ARG A 93 12.628 -8.314 9.616 1.00 0.00 C ATOM 1404 C ARG A 93 11.546 -8.284 8.540 1.00 0.00 C ATOM 1405 O ARG A 93 11.845 -8.224 7.348 1.00 0.00 O ATOM 1406 CB ARG A 93 12.930 -9.761 10.011 1.00 0.00 C ATOM 1407 CG ARG A 93 14.212 -9.919 10.812 1.00 0.00 C ATOM 1408 CD ARG A 93 14.576 -11.384 10.995 1.00 0.00 C ATOM 1409 NE ARG A 93 13.597 -12.094 11.814 1.00 0.00 N ATOM 1410 CZ ARG A 93 13.697 -13.380 12.129 1.00 0.00 C ATOM 1411 NH1 ARG A 93 14.728 -14.094 11.698 1.00 0.00 N ATOM 1412 NH2 ARG A 93 12.765 -13.955 12.879 1.00 0.00 N ATOM 0 H ARG A 93 12.369 -8.020 11.675 1.00 0.00 H new ATOM 0 HA ARG A 93 13.532 -7.859 9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.096 -10.151 10.595 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.998 -10.368 9.108 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.026 -9.401 10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.094 -9.448 11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.648 -11.864 10.019 1.00 0.00 H new ATOM 0 HD3 ARG A 93 15.559 -11.458 11.460 1.00 0.00 H new ATOM 0 HE ARG A 93 12.792 -11.573 12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.447 -13.655 11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.802 -15.082 11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.971 -13.409 13.214 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.843 -14.943 13.121 1.00 0.00 H new ATOM 1426 N GLU A 94 10.290 -8.326 8.971 1.00 0.00 N ATOM 1427 CA GLU A 94 9.164 -8.305 8.044 1.00 0.00 C ATOM 1428 C GLU A 94 8.020 -7.460 8.597 1.00 0.00 C ATOM 1429 O GLU A 94 7.730 -7.470 9.794 1.00 0.00 O ATOM 1430 CB GLU A 94 8.675 -9.728 7.768 1.00 0.00 C ATOM 1431 CG GLU A 94 9.799 -10.736 7.600 1.00 0.00 C ATOM 1432 CD GLU A 94 10.731 -10.385 6.456 1.00 0.00 C ATOM 1433 OE1 GLU A 94 10.289 -9.677 5.528 1.00 0.00 O ATOM 1434 OE2 GLU A 94 11.902 -10.819 6.490 1.00 0.00 O ATOM 0 H GLU A 94 10.026 -8.375 9.955 1.00 0.00 H new ATOM 0 HA GLU A 94 9.504 -7.858 7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.031 -10.047 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.064 -9.724 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.372 -10.794 8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.373 -11.724 7.427 1.00 0.00 H new ATOM 1441 N PRO A 95 7.353 -6.712 7.706 1.00 0.00 N ATOM 1442 CA PRO A 95 6.230 -5.848 8.081 1.00 0.00 C ATOM 1443 C PRO A 95 4.994 -6.645 8.483 1.00 0.00 C ATOM 1444 O PRO A 95 4.361 -7.291 7.647 1.00 0.00 O ATOM 1445 CB PRO A 95 5.958 -5.046 6.805 1.00 0.00 C ATOM 1446 CG PRO A 95 6.464 -5.908 5.701 1.00 0.00 C ATOM 1447 CD PRO A 95 7.644 -6.652 6.264 1.00 0.00 C ATOM 0 HA PRO A 95 6.463 -5.230 8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.895 -4.837 6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.472 -4.085 6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.693 -6.599 5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.756 -5.307 4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.735 -7.648 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.580 -6.131 6.064 1.00 0.00 H new ATOM 1455 N ASP A 96 4.655 -6.595 9.766 1.00 0.00 N ATOM 1456 CA ASP A 96 3.493 -7.312 10.279 1.00 0.00 C ATOM 1457 C ASP A 96 2.285 -7.110 9.368 1.00 0.00 C ATOM 1458 O ASP A 96 1.704 -6.026 9.323 1.00 0.00 O ATOM 1459 CB ASP A 96 3.162 -6.843 11.696 1.00 0.00 C ATOM 1460 CG ASP A 96 4.396 -6.424 12.470 1.00 0.00 C ATOM 1461 OD1 ASP A 96 5.078 -7.310 13.027 1.00 0.00 O ATOM 1462 OD2 ASP A 96 4.682 -5.209 12.518 1.00 0.00 O ATOM 0 H ASP A 96 5.168 -6.065 10.471 1.00 0.00 H new ATOM 0 HA ASP A 96 3.734 -8.375 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.467 -6.005 11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.655 -7.645 12.232 1.00 0.00 H new ATOM 1467 N TRP A 97 1.914 -8.160 8.645 1.00 0.00 N ATOM 1468 CA TRP A 97 0.776 -8.098 7.735 1.00 0.00 C ATOM 1469 C TRP A 97 -0.440 -7.491 8.425 1.00 0.00 C ATOM 1470 O TRP A 97 -1.146 -6.665 7.847 1.00 0.00 O ATOM 1471 CB TRP A 97 0.438 -9.495 7.213 1.00 0.00 C ATOM 1472 CG TRP A 97 0.071 -10.462 8.298 1.00 0.00 C ATOM 1473 CD1 TRP A 97 0.912 -11.314 8.955 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -1.233 -10.677 8.849 1.00 0.00 C ATOM 1475 NE1 TRP A 97 0.209 -12.045 9.882 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.108 -11.673 9.837 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -2.493 -10.124 8.605 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -2.196 -12.126 10.579 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -3.572 -10.575 9.342 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -3.418 -11.567 10.319 1.00 0.00 C ATOM 0 H TRP A 97 2.384 -9.065 8.671 1.00 0.00 H new ATOM 0 HA TRP A 97 1.049 -7.460 6.894 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.389 -9.421 6.507 1.00 0.00 H new ATOM 0 HB3 TRP A 97 1.293 -9.886 6.662 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.973 -11.400 8.773 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.604 -12.751 10.503 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.621 -9.358 7.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.080 -12.891 11.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -4.551 -10.155 9.161 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -4.281 -11.897 10.878 1.00 0.00 H new ATOM 1491 N LYS A 98 -0.680 -7.906 9.664 1.00 0.00 N ATOM 1492 CA LYS A 98 -1.811 -7.402 10.435 1.00 0.00 C ATOM 1493 C LYS A 98 -1.882 -5.880 10.365 1.00 0.00 C ATOM 1494 O LYS A 98 -2.963 -5.295 10.437 1.00 0.00 O ATOM 1495 CB LYS A 98 -1.701 -7.852 11.893 1.00 0.00 C ATOM 1496 CG LYS A 98 -1.832 -9.354 12.078 1.00 0.00 C ATOM 1497 CD LYS A 98 -1.497 -9.772 13.500 1.00 0.00 C ATOM 1498 CE LYS A 98 -0.017 -10.090 13.653 1.00 0.00 C ATOM 1499 NZ LYS A 98 0.775 -8.882 14.014 1.00 0.00 N ATOM 0 H LYS A 98 -0.106 -8.591 10.156 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.725 -7.811 10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.740 -7.528 12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.474 -7.354 12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.849 -9.664 11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.169 -9.867 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.772 -8.974 14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.088 -10.646 13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.113 -10.853 14.421 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.363 -10.508 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.658 -9.172 14.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.999 -8.343 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.222 -8.285 14.662 1.00 0.00 H new ATOM 1513 N CYS A 99 -0.724 -5.244 10.223 1.00 0.00 N ATOM 1514 CA CYS A 99 -0.655 -3.789 10.143 1.00 0.00 C ATOM 1515 C CYS A 99 -0.773 -3.318 8.697 1.00 0.00 C ATOM 1516 O CYS A 99 -1.675 -2.553 8.354 1.00 0.00 O ATOM 1517 CB CYS A 99 0.655 -3.286 10.751 1.00 0.00 C ATOM 1518 SG CYS A 99 0.586 -3.021 12.538 1.00 0.00 S ATOM 0 H CYS A 99 0.180 -5.713 10.161 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.491 -3.378 10.709 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.444 -4.005 10.531 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.932 -2.350 10.266 1.00 0.00 H new ATOM 0 HG CYS A 99 1.741 -2.598 12.959 1.00 0.00 H new ATOM 1524 N VAL A 100 0.145 -3.779 7.853 1.00 0.00 N ATOM 1525 CA VAL A 100 0.144 -3.405 6.444 1.00 0.00 C ATOM 1526 C VAL A 100 -1.270 -3.417 5.873 1.00 0.00 C ATOM 1527 O VAL A 100 -1.677 -2.487 5.177 1.00 0.00 O ATOM 1528 CB VAL A 100 1.030 -4.350 5.612 1.00 0.00 C ATOM 1529 CG1 VAL A 100 1.237 -3.794 4.211 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.364 -4.578 6.306 1.00 0.00 C ATOM 0 H VAL A 100 0.899 -4.412 8.121 1.00 0.00 H new ATOM 0 HA VAL A 100 0.548 -2.394 6.385 1.00 0.00 H new ATOM 0 HB VAL A 100 0.523 -5.311 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.866 -4.476 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.272 -3.687 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.722 -2.820 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.977 -5.248 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.879 -3.625 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.193 -5.024 7.286 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.013 -4.476 6.173 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.382 -4.611 5.687 1.00 0.00 C ATOM 1542 C TYR A 101 -4.214 -3.387 6.058 1.00 0.00 C ATOM 1543 O TYR A 101 -4.989 -2.879 5.247 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.027 -5.873 6.262 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.538 -5.846 6.237 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.260 -5.258 7.268 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.245 -6.407 5.180 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.641 -5.231 7.250 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.627 -6.384 5.153 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.319 -5.795 6.190 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.695 -5.770 6.167 1.00 0.00 O ATOM 0 H TYR A 101 -1.691 -5.253 6.750 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.349 -4.690 4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.678 -6.738 5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.691 -6.006 7.290 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.732 -4.814 8.099 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.706 -6.869 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.186 -4.771 8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.161 -6.825 4.324 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.017 -6.208 5.351 1.00 0.00 H new ATOM 1561 N THR A 102 -4.048 -2.917 7.291 1.00 0.00 N ATOM 1562 CA THR A 102 -4.783 -1.754 7.771 1.00 0.00 C ATOM 1563 C THR A 102 -4.560 -0.550 6.863 1.00 0.00 C ATOM 1564 O THR A 102 -5.513 0.094 6.425 1.00 0.00 O ATOM 1565 CB THR A 102 -4.370 -1.383 9.208 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.451 -2.535 10.054 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.261 -0.280 9.759 1.00 0.00 C ATOM 0 H THR A 102 -3.411 -3.325 7.975 1.00 0.00 H new ATOM 0 HA THR A 102 -5.840 -2.021 7.762 1.00 0.00 H new ATOM 0 HB THR A 102 -3.342 -1.021 9.185 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.641 -3.076 9.948 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.951 -0.035 10.775 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.175 0.606 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.297 -0.619 9.768 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.296 -0.251 6.585 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.948 0.878 5.730 1.00 0.00 C ATOM 1577 C TYR A 103 -3.676 0.793 4.392 1.00 0.00 C ATOM 1578 O TYR A 103 -4.437 1.690 4.027 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.437 0.924 5.500 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.968 2.182 4.803 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.798 3.367 5.507 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.695 2.184 3.441 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.371 4.519 4.875 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.266 3.330 2.800 1.00 0.00 C ATOM 1585 CZ TYR A 103 -0.106 4.495 3.521 1.00 0.00 C ATOM 1586 OH TYR A 103 0.321 5.640 2.888 1.00 0.00 O ATOM 0 H TYR A 103 -2.495 -0.774 6.939 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.259 1.793 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.929 0.840 6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.142 0.059 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.003 3.388 6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.820 1.274 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.245 5.433 5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.057 3.314 1.741 1.00 0.00 H new ATOM 0 HH TYR A 103 0.464 5.454 1.937 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.436 -0.293 3.664 1.00 0.00 N ATOM 1597 CA ILE A 104 -4.068 -0.498 2.367 1.00 0.00 C ATOM 1598 C ILE A 104 -5.552 -0.149 2.418 1.00 0.00 C ATOM 1599 O ILE A 104 -6.068 0.537 1.536 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.911 -1.953 1.887 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.431 -2.337 1.832 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.562 -2.135 0.525 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.598 -1.412 0.974 1.00 0.00 C ATOM 0 H ILE A 104 -2.808 -1.044 3.951 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.565 0.164 1.663 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.412 -2.611 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.027 -2.342 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.342 -3.353 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.442 -3.168 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.623 -1.897 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.087 -1.470 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.560 -1.745 0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.976 -1.425 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.657 -0.398 1.369 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.231 -0.625 3.456 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.656 -0.362 3.622 1.00 0.00 C ATOM 1617 C GLN A 105 -7.908 1.117 3.892 1.00 0.00 C ATOM 1618 O GLN A 105 -8.900 1.681 3.430 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.221 -1.205 4.767 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.667 -0.880 5.105 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.593 -1.029 3.913 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.458 -0.320 2.916 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.540 -1.955 4.011 1.00 0.00 N ATOM 0 H GLN A 105 -5.818 -1.195 4.195 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.161 -0.635 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.147 -2.260 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.607 -1.056 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.005 -1.536 5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.727 0.141 5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.615 -2.520 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.192 -2.101 3.241 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.005 1.740 4.642 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.132 3.154 4.974 1.00 0.00 C ATOM 1634 C GLU A 106 -6.956 4.022 3.731 1.00 0.00 C ATOM 1635 O GLU A 106 -7.839 4.803 3.376 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.100 3.547 6.034 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.260 4.971 6.540 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.615 5.216 7.174 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.148 4.284 7.813 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.144 6.338 7.031 1.00 0.00 O ATOM 0 H GLU A 106 -6.178 1.288 5.031 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.133 3.319 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.177 2.860 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.100 3.429 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.478 5.183 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.120 5.665 5.711 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.810 3.880 3.074 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.516 4.651 1.872 1.00 0.00 C ATOM 1649 C PHE A 107 -6.640 4.513 0.849 1.00 0.00 C ATOM 1650 O PHE A 107 -7.061 5.494 0.236 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.192 4.193 1.257 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.581 5.204 0.329 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.447 6.528 0.717 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.141 4.831 -0.931 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.884 7.460 -0.134 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.578 5.759 -1.786 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.450 7.076 -1.388 1.00 0.00 C ATOM 0 H PHE A 107 -5.069 3.237 3.354 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.433 5.700 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.486 3.973 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.356 3.264 0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.786 6.835 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.239 3.803 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.783 8.488 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.238 5.455 -2.765 1.00 0.00 H new ATOM 0 HZ PHE A 107 -2.012 7.803 -2.056 1.00 0.00 H new ATOM 1667 N TYR A 108 -7.121 3.287 0.670 1.00 0.00 N ATOM 1668 CA TYR A 108 -8.194 3.018 -0.280 1.00 0.00 C ATOM 1669 C TYR A 108 -9.399 3.913 -0.008 1.00 0.00 C ATOM 1670 O TYR A 108 -10.290 4.046 -0.848 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.609 1.548 -0.209 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.574 1.139 -1.299 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.917 1.491 -1.233 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -9.144 0.400 -2.394 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.802 1.118 -2.226 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -10.022 0.024 -3.392 1.00 0.00 C ATOM 1677 CZ TYR A 108 -11.350 0.385 -3.304 1.00 0.00 C ATOM 1678 OH TYR A 108 -12.228 0.013 -4.295 1.00 0.00 O ATOM 0 H TYR A 108 -6.785 2.464 1.170 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.822 3.235 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.718 0.924 -0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.066 1.355 0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.275 2.066 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.105 0.114 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.843 1.399 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.670 -0.550 -4.237 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.749 -0.497 -4.982 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.420 4.525 1.172 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.515 5.406 1.556 1.00 0.00 C ATOM 1690 C ARG A 109 -10.288 6.819 1.026 1.00 0.00 C ATOM 1691 O ARG A 109 -11.232 7.503 0.629 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.662 5.439 3.078 1.00 0.00 C ATOM 1693 CG ARG A 109 -11.887 6.202 3.556 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.103 6.028 5.051 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.049 7.004 5.584 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.281 7.170 6.882 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -12.639 6.428 7.774 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.157 8.080 7.290 1.00 0.00 N ATOM 0 H ARG A 109 -8.691 4.426 1.878 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.433 5.015 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.713 4.416 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.770 5.893 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.771 7.261 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.768 5.853 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.470 5.021 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.149 6.127 5.569 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.560 7.591 4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.965 5.728 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.819 6.558 8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.653 8.653 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.334 8.206 8.286 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.031 7.249 1.024 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.679 8.581 0.544 1.00 0.00 C ATOM 1714 C CYS A 110 -8.765 8.651 -0.978 1.00 0.00 C ATOM 1715 O CYS A 110 -9.297 9.610 -1.537 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.271 8.956 1.005 1.00 0.00 C ATOM 1717 SG CYS A 110 -5.953 8.339 -0.068 1.00 0.00 S ATOM 0 H CYS A 110 -8.239 6.695 1.349 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.392 9.291 0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.197 10.042 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.115 8.570 2.012 1.00 0.00 H new ATOM 0 HG CYS A 110 -4.955 7.933 0.660 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.235 7.629 -1.642 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.250 7.575 -3.100 1.00 0.00 C ATOM 1725 C LEU A 111 -9.671 7.715 -3.636 1.00 0.00 C ATOM 1726 O LEU A 111 -9.938 8.539 -4.510 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.635 6.262 -3.587 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.170 6.028 -3.216 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.694 4.684 -3.746 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.298 7.154 -3.751 1.00 0.00 C ATOM 0 H LEU A 111 -7.790 6.828 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.657 8.408 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.226 5.437 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.725 6.223 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.087 6.017 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.649 4.534 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.300 3.887 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.791 4.666 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.259 6.971 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.385 7.197 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.624 8.102 -3.323 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.581 6.905 -3.104 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.976 6.940 -3.526 1.00 0.00 C ATOM 1744 C VAL A 112 -12.505 8.369 -3.556 1.00 0.00 C ATOM 1745 O VAL A 112 -13.156 8.779 -4.517 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.865 6.094 -2.595 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.334 6.429 -2.811 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.610 4.611 -2.816 1.00 0.00 C ATOM 0 H VAL A 112 -10.377 6.216 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.014 6.521 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.610 6.332 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.947 5.822 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.502 7.485 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.606 6.221 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.247 4.029 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.836 4.353 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.564 4.386 -2.606 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.220 9.122 -2.499 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.668 10.507 -2.405 1.00 0.00 C ATOM 1760 C GLN A 113 -11.847 11.408 -3.321 1.00 0.00 C ATOM 1761 O GLN A 113 -12.343 12.414 -3.829 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.568 11.000 -0.961 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.532 10.306 -0.012 1.00 0.00 C ATOM 1764 CD GLN A 113 -14.976 10.694 -0.261 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -15.735 9.945 -0.877 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -15.365 11.871 0.217 1.00 0.00 N ATOM 0 H GLN A 113 -11.681 8.797 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.709 10.548 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.549 10.850 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.758 12.073 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.426 9.226 -0.118 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.265 10.553 1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.703 12.460 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -16.326 12.185 0.079 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.586 11.041 -3.528 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.695 11.815 -4.384 1.00 0.00 C ATOM 1777 C LYS A 114 -10.145 11.750 -5.840 1.00 0.00 C ATOM 1778 O LYS A 114 -9.925 12.683 -6.610 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.260 11.299 -4.259 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.577 11.706 -2.964 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.086 13.143 -3.021 1.00 0.00 C ATOM 1782 CE LYS A 114 -5.842 13.273 -3.886 1.00 0.00 C ATOM 1783 NZ LYS A 114 -4.654 12.639 -3.249 1.00 0.00 N ATOM 0 H LYS A 114 -10.159 10.212 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.731 12.854 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.267 10.211 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.675 11.670 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.273 11.591 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.736 11.040 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.875 13.783 -3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.868 13.494 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.024 12.810 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.636 14.327 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.095 12.143 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.068 13.372 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.968 11.959 -2.528 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.779 10.641 -6.209 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.251 10.476 -7.571 1.00 0.00 C ATOM 1799 C GLY A 115 -10.351 9.574 -8.392 1.00 0.00 C ATOM 1800 O GLY A 115 -10.336 9.651 -9.621 1.00 0.00 O ATOM 0 H GLY A 115 -10.974 9.855 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.259 10.061 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.316 11.453 -8.050 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.596 8.718 -7.712 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.686 7.798 -8.386 1.00 0.00 C ATOM 1806 C LEU A 116 -9.320 6.419 -8.539 1.00 0.00 C ATOM 1807 O LEU A 116 -9.229 5.796 -9.596 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.374 7.685 -7.608 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.352 8.796 -7.852 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.316 8.822 -6.738 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.678 8.613 -9.204 1.00 0.00 C ATOM 0 H LEU A 116 -9.596 8.642 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.479 8.195 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.607 7.660 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.909 6.730 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.877 9.751 -7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.597 9.619 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.812 9.001 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.796 7.865 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.954 9.413 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.167 7.651 -9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.430 8.645 -9.993 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.965 5.949 -7.475 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.617 4.645 -7.492 1.00 0.00 C ATOM 1825 C VAL A 117 -12.128 4.789 -7.635 1.00 0.00 C ATOM 1826 O VAL A 117 -12.788 5.396 -6.791 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.307 3.846 -6.212 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.907 2.451 -6.295 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.806 3.778 -5.977 1.00 0.00 C ATOM 0 H VAL A 117 -10.050 6.452 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.223 4.105 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.761 4.360 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.678 1.901 -5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.988 2.526 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.486 1.924 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.605 3.210 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.327 3.288 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.409 4.787 -5.869 1.00 0.00 H new ATOM 1839 N LYS A 118 -12.671 4.225 -8.709 1.00 0.00 N ATOM 1840 CA LYS A 118 -14.105 4.288 -8.964 1.00 0.00 C ATOM 1841 C LYS A 118 -14.794 3.003 -8.515 1.00 0.00 C ATOM 1842 O LYS A 118 -15.002 2.087 -9.311 1.00 0.00 O ATOM 1843 CB LYS A 118 -14.370 4.528 -10.452 1.00 0.00 C ATOM 1844 CG LYS A 118 -15.815 4.877 -10.764 1.00 0.00 C ATOM 1845 CD LYS A 118 -16.068 6.370 -10.637 1.00 0.00 C ATOM 1846 CE LYS A 118 -15.737 7.104 -11.928 1.00 0.00 C ATOM 1847 NZ LYS A 118 -14.269 7.283 -12.104 1.00 0.00 N ATOM 0 H LYS A 118 -12.139 3.719 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 118 -14.514 5.119 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.726 5.335 -10.801 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.092 3.634 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -16.059 4.550 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -16.475 4.336 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.112 6.542 -10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -15.466 6.774 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -16.139 6.548 -12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -16.224 8.079 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -14.089 8.126 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.820 7.403 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.871 6.445 -12.575 1.00 0.00 H new ATOM 1861 N THR A 119 -15.149 2.943 -7.235 1.00 0.00 N ATOM 1862 CA THR A 119 -15.815 1.771 -6.681 1.00 0.00 C ATOM 1863 C THR A 119 -17.253 1.670 -7.176 1.00 0.00 C ATOM 1864 O THR A 119 -17.823 2.647 -7.661 1.00 0.00 O ATOM 1865 CB THR A 119 -15.814 1.800 -5.141 1.00 0.00 C ATOM 1866 OG1 THR A 119 -16.375 0.587 -4.628 1.00 0.00 O ATOM 1867 CG2 THR A 119 -16.608 2.990 -4.622 1.00 0.00 C ATOM 0 H THR A 119 -14.986 3.693 -6.563 1.00 0.00 H new ATOM 0 HA THR A 119 -15.255 0.899 -7.021 1.00 0.00 H new ATOM 0 HB THR A 119 -14.782 1.895 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 119 -16.369 0.613 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 119 -16.593 2.990 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 119 -16.162 3.914 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 119 -17.638 2.920 -4.971 1.00 0.00 H new ATOM 1875 N LYS A 120 -17.836 0.483 -7.049 1.00 0.00 N ATOM 1876 CA LYS A 120 -19.209 0.254 -7.482 1.00 0.00 C ATOM 1877 C LYS A 120 -20.136 0.081 -6.282 1.00 0.00 C ATOM 1878 O LYS A 120 -19.681 -0.021 -5.143 1.00 0.00 O ATOM 1879 CB LYS A 120 -19.284 -0.983 -8.379 1.00 0.00 C ATOM 1880 CG LYS A 120 -19.234 -2.294 -7.614 1.00 0.00 C ATOM 1881 CD LYS A 120 -17.863 -2.530 -7.002 1.00 0.00 C ATOM 1882 CE LYS A 120 -17.585 -4.014 -6.813 1.00 0.00 C ATOM 1883 NZ LYS A 120 -17.313 -4.697 -8.108 1.00 0.00 N ATOM 0 H LYS A 120 -17.378 -0.336 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 120 -19.535 1.126 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -20.206 -0.945 -8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -18.459 -0.956 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -19.988 -2.286 -6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -19.481 -3.117 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -17.097 -2.094 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.800 -2.022 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -16.730 -4.142 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -18.440 -4.484 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.885 -5.627 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -18.205 -4.822 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -16.659 -4.120 -8.674 1.00 0.00 H new ATOM 1897 N LYS A 121 -21.437 0.048 -6.546 1.00 0.00 N ATOM 1898 CA LYS A 121 -22.429 -0.115 -5.489 1.00 0.00 C ATOM 1899 C LYS A 121 -23.200 -1.420 -5.663 1.00 0.00 C ATOM 1900 O LYS A 121 -24.129 -1.500 -6.466 1.00 0.00 O ATOM 1901 CB LYS A 121 -23.400 1.067 -5.485 1.00 0.00 C ATOM 1902 CG LYS A 121 -22.734 2.401 -5.193 1.00 0.00 C ATOM 1903 CD LYS A 121 -23.699 3.559 -5.383 1.00 0.00 C ATOM 1904 CE LYS A 121 -24.526 3.807 -4.131 1.00 0.00 C ATOM 1905 NZ LYS A 121 -23.770 4.588 -3.113 1.00 0.00 N ATOM 0 H LYS A 121 -21.830 0.132 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 121 -21.904 -0.148 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -23.896 1.122 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -24.175 0.887 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -22.357 2.404 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -21.874 2.531 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -23.141 4.461 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -24.362 3.348 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -25.437 4.343 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -24.832 2.852 -3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -24.368 4.736 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -22.914 4.065 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -23.500 5.509 -3.513 1.00 0.00 H new ATOM 1919 N SER A 122 -22.809 -2.439 -4.904 1.00 0.00 N ATOM 1920 CA SER A 122 -23.462 -3.741 -4.977 1.00 0.00 C ATOM 1921 C SER A 122 -24.669 -3.796 -4.045 1.00 0.00 C ATOM 1922 O SER A 122 -24.526 -3.984 -2.837 1.00 0.00 O ATOM 1923 CB SER A 122 -22.474 -4.852 -4.616 1.00 0.00 C ATOM 1924 OG SER A 122 -22.940 -6.113 -5.062 1.00 0.00 O ATOM 0 H SER A 122 -22.044 -2.388 -4.232 1.00 0.00 H new ATOM 0 HA SER A 122 -23.807 -3.890 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 122 -21.504 -4.640 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 122 -22.328 -4.876 -3.536 1.00 0.00 H new ATOM 0 HG SER A 122 -22.290 -6.806 -4.821 1.00 0.00 H new ATOM 1930 N SER A 123 -25.857 -3.629 -4.616 1.00 0.00 N ATOM 1931 CA SER A 123 -27.090 -3.656 -3.838 1.00 0.00 C ATOM 1932 C SER A 123 -27.381 -5.065 -3.330 1.00 0.00 C ATOM 1933 O SER A 123 -27.782 -5.942 -4.094 1.00 0.00 O ATOM 1934 CB SER A 123 -28.263 -3.153 -4.682 1.00 0.00 C ATOM 1935 OG SER A 123 -28.127 -1.773 -4.973 1.00 0.00 O ATOM 0 H SER A 123 -25.992 -3.473 -5.615 1.00 0.00 H new ATOM 0 HA SER A 123 -26.962 -2.998 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 123 -28.316 -3.720 -5.611 1.00 0.00 H new ATOM 0 HB3 SER A 123 -29.198 -3.325 -4.150 1.00 0.00 H new ATOM 0 HG SER A 123 -28.888 -1.476 -5.515 1.00 0.00 H new ATOM 1941 N GLY A 124 -27.177 -5.273 -2.032 1.00 0.00 N ATOM 1942 CA GLY A 124 -27.422 -6.577 -1.443 1.00 0.00 C ATOM 1943 C GLY A 124 -27.979 -6.482 -0.036 1.00 0.00 C ATOM 1944 O GLY A 124 -28.542 -5.463 0.364 1.00 0.00 O ATOM 0 H GLY A 124 -26.847 -4.563 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -28.121 -7.130 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -26.492 -7.145 -1.425 1.00 0.00 H new ATOM 1948 N PRO A 125 -27.824 -7.564 0.740 1.00 0.00 N ATOM 1949 CA PRO A 125 -28.310 -7.624 2.122 1.00 0.00 C ATOM 1950 C PRO A 125 -27.513 -6.719 3.056 1.00 0.00 C ATOM 1951 O PRO A 125 -26.379 -6.346 2.756 1.00 0.00 O ATOM 1952 CB PRO A 125 -28.113 -9.093 2.504 1.00 0.00 C ATOM 1953 CG PRO A 125 -27.014 -9.571 1.620 1.00 0.00 C ATOM 1954 CD PRO A 125 -27.162 -8.814 0.329 1.00 0.00 C ATOM 0 HA PRO A 125 -29.342 -7.282 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -27.848 -9.196 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -29.025 -9.668 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -26.040 -9.384 2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -27.087 -10.646 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -26.196 -8.622 -0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -27.761 -9.367 -0.395 1.00 0.00 H new ATOM 1962 N SER A 126 -28.114 -6.370 4.189 1.00 0.00 N ATOM 1963 CA SER A 126 -27.461 -5.506 5.165 1.00 0.00 C ATOM 1964 C SER A 126 -26.497 -6.304 6.038 1.00 0.00 C ATOM 1965 O SER A 126 -26.912 -7.157 6.821 1.00 0.00 O ATOM 1966 CB SER A 126 -28.505 -4.812 6.043 1.00 0.00 C ATOM 1967 OG SER A 126 -27.960 -3.668 6.677 1.00 0.00 O ATOM 0 H SER A 126 -29.052 -6.672 4.453 1.00 0.00 H new ATOM 0 HA SER A 126 -26.893 -4.751 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 126 -29.361 -4.521 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 126 -28.872 -5.509 6.797 1.00 0.00 H new ATOM 0 HG SER A 126 -28.647 -3.242 7.230 1.00 0.00 H new ATOM 1973 N SER A 127 -25.206 -6.019 5.895 1.00 0.00 N ATOM 1974 CA SER A 127 -24.181 -6.712 6.666 1.00 0.00 C ATOM 1975 C SER A 127 -23.711 -5.856 7.838 1.00 0.00 C ATOM 1976 O SER A 127 -23.657 -6.318 8.977 1.00 0.00 O ATOM 1977 CB SER A 127 -22.992 -7.067 5.771 1.00 0.00 C ATOM 1978 OG SER A 127 -22.201 -8.087 6.355 1.00 0.00 O ATOM 0 H SER A 127 -24.846 -5.313 5.253 1.00 0.00 H new ATOM 0 HA SER A 127 -24.617 -7.630 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 127 -23.352 -7.395 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 127 -22.381 -6.180 5.603 1.00 0.00 H new ATOM 0 HG SER A 127 -21.449 -8.297 5.763 1.00 0.00 H new ATOM 1984 N GLY A 128 -23.372 -4.603 7.550 1.00 0.00 N ATOM 1985 CA GLY A 128 -22.912 -3.701 8.589 1.00 0.00 C ATOM 1986 C GLY A 128 -21.837 -4.321 9.460 1.00 0.00 C ATOM 1987 O GLY A 128 -20.647 -4.203 9.168 1.00 0.00 O ATOM 0 H GLY A 128 -23.408 -4.197 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -22.524 -2.791 8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -23.757 -3.409 9.213 1.00 0.00 H new TER 1991 GLY A 128