USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.0845) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.144) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 46:sc= 0.276 USER MOD Single : A 12 ASN : amide:sc=-0.00865 X(o=-0.0086,f=0) USER MOD Single : A 16 THR OG1 : rot -140:sc= -2.1! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -39:sc= 0.104 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.556 F(o=-1.2,f=-0.56) USER MOD Single : A 34 HIS : no HD1:sc= 0.228 K(o=0.23,f=-1.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 161:sc= 1.2 USER MOD Single : A 37 ASN : amide:sc= -4.79 K(o=-4.8,f=-11!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 160:sc= -1.88 USER MOD Single : A 51 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= -0.11 (180deg=-0.77) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -115:sc= 0.805 (180deg=-0.00217) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -40:sc= 1.04 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.539 21.571 6.690 1.00 34.87 N ATOM 2 CA MET A 1 2.857 20.677 7.669 1.00 34.31 C ATOM 3 C MET A 1 3.824 20.336 8.807 1.00 32.95 C ATOM 4 O MET A 1 3.867 19.217 9.282 1.00 32.17 O ATOM 5 CB MET A 1 2.420 19.390 6.964 1.00 34.24 C ATOM 6 CG MET A 1 1.204 18.803 7.681 1.00 34.70 C ATOM 7 SD MET A 1 0.645 17.320 6.806 1.00 34.95 S ATOM 8 CE MET A 1 -0.693 18.099 5.869 1.00 36.45 C ATOM 0 H1 MET A 1 2.942 21.680 5.845 1.00 34.87 H new ATOM 0 H2 MET A 1 3.699 22.503 7.124 1.00 34.87 H new ATOM 0 H3 MET A 1 4.452 21.155 6.417 1.00 34.87 H new ATOM 0 HA MET A 1 1.981 21.182 8.077 1.00 34.31 H new ATOM 0 HB2 MET A 1 2.176 19.598 5.922 1.00 34.24 H new ATOM 0 HB3 MET A 1 3.237 18.669 6.962 1.00 34.24 H new ATOM 0 HG2 MET A 1 1.460 18.555 8.711 1.00 34.70 H new ATOM 0 HG3 MET A 1 0.401 19.539 7.720 1.00 34.70 H new ATOM 0 HE1 MET A 1 -1.185 17.351 5.248 1.00 36.45 H new ATOM 0 HE2 MET A 1 -1.417 18.531 6.560 1.00 36.45 H new ATOM 0 HE3 MET A 1 -0.283 18.885 5.235 1.00 36.45 H new ATOM 20 N SER A 2 4.598 21.298 9.246 1.00 32.81 N ATOM 21 CA SER A 2 5.569 21.046 10.356 1.00 31.66 C ATOM 22 C SER A 2 6.561 19.956 9.941 1.00 30.31 C ATOM 23 O SER A 2 6.975 19.142 10.746 1.00 29.67 O ATOM 24 CB SER A 2 4.813 20.602 11.611 1.00 31.62 C ATOM 25 OG SER A 2 4.540 21.737 12.422 1.00 32.78 O ATOM 0 H SER A 2 4.599 22.251 8.882 1.00 32.81 H new ATOM 0 HA SER A 2 6.115 21.965 10.569 1.00 31.66 H new ATOM 0 HB2 SER A 2 3.882 20.107 11.333 1.00 31.62 H new ATOM 0 HB3 SER A 2 5.405 19.876 12.169 1.00 31.62 H new ATOM 0 HG SER A 2 4.054 21.456 13.225 1.00 32.78 H new ATOM 31 N LYS A 3 6.947 19.937 8.689 1.00 30.04 N ATOM 32 CA LYS A 3 7.915 18.904 8.214 1.00 28.91 C ATOM 33 C LYS A 3 9.338 19.465 8.289 1.00 28.19 C ATOM 34 O LYS A 3 9.618 20.537 7.787 1.00 28.87 O ATOM 35 CB LYS A 3 7.593 18.527 6.765 1.00 29.38 C ATOM 36 CG LYS A 3 6.527 17.429 6.748 1.00 29.61 C ATOM 37 CD LYS A 3 6.755 16.513 5.543 1.00 29.66 C ATOM 38 CE LYS A 3 6.020 17.075 4.326 1.00 31.10 C ATOM 39 NZ LYS A 3 6.918 18.009 3.591 1.00 31.89 N ATOM 0 H LYS A 3 6.632 20.594 7.975 1.00 30.04 H new ATOM 0 HA LYS A 3 7.838 18.019 8.845 1.00 28.91 H new ATOM 0 HB2 LYS A 3 7.238 19.402 6.221 1.00 29.38 H new ATOM 0 HB3 LYS A 3 8.494 18.181 6.259 1.00 29.38 H new ATOM 0 HG2 LYS A 3 6.571 16.851 7.671 1.00 29.61 H new ATOM 0 HG3 LYS A 3 5.533 17.873 6.697 1.00 29.61 H new ATOM 0 HD2 LYS A 3 7.821 16.432 5.331 1.00 29.66 H new ATOM 0 HD3 LYS A 3 6.397 15.508 5.765 1.00 29.66 H new ATOM 0 HE2 LYS A 3 5.707 16.263 3.670 1.00 31.10 H new ATOM 0 HE3 LYS A 3 5.116 17.596 4.642 1.00 31.10 H new ATOM 0 HZ1 LYS A 3 6.464 18.942 3.518 1.00 31.89 H new ATOM 0 HZ2 LYS A 3 7.818 18.101 4.104 1.00 31.89 H new ATOM 0 HZ3 LYS A 3 7.100 17.637 2.637 1.00 31.89 H new ATOM 53 N ARG A 4 10.235 18.746 8.915 1.00 26.98 N ATOM 54 CA ARG A 4 11.643 19.228 9.029 1.00 26.42 C ATOM 55 C ARG A 4 12.603 18.096 8.659 1.00 24.92 C ATOM 56 O ARG A 4 12.634 17.063 9.300 1.00 23.95 O ATOM 57 CB ARG A 4 11.912 19.676 10.466 1.00 26.49 C ATOM 58 CG ARG A 4 10.866 20.714 10.883 1.00 27.79 C ATOM 59 CD ARG A 4 11.193 21.237 12.283 1.00 28.16 C ATOM 60 NE ARG A 4 11.973 22.508 12.171 1.00 29.15 N ATOM 61 CZ ARG A 4 12.142 23.305 13.207 1.00 29.72 C ATOM 62 NH1 ARG A 4 11.636 23.019 14.385 1.00 29.47 N ATOM 63 NH2 ARG A 4 12.831 24.404 13.059 1.00 30.69 N ATOM 0 H ARG A 4 10.051 17.843 9.353 1.00 26.98 H new ATOM 0 HA ARG A 4 11.796 20.068 8.351 1.00 26.42 H new ATOM 0 HB2 ARG A 4 11.877 18.818 11.138 1.00 26.49 H new ATOM 0 HB3 ARG A 4 12.913 20.101 10.544 1.00 26.49 H new ATOM 0 HG2 ARG A 4 10.852 21.538 10.170 1.00 27.79 H new ATOM 0 HG3 ARG A 4 9.872 20.267 10.873 1.00 27.79 H new ATOM 0 HD2 ARG A 4 10.273 21.410 12.842 1.00 28.16 H new ATOM 0 HD3 ARG A 4 11.767 20.493 12.836 1.00 28.16 H new ATOM 0 HE ARG A 4 12.383 22.764 11.273 1.00 29.15 H new ATOM 0 HH11 ARG A 4 11.097 22.163 14.514 1.00 29.47 H new ATOM 0 HH12 ARG A 4 11.782 23.653 15.170 1.00 29.47 H new ATOM 0 HH21 ARG A 4 13.231 24.637 12.150 1.00 30.69 H new ATOM 0 HH22 ARG A 4 12.969 25.030 13.852 1.00 30.69 H new ATOM 77 N LYS A 5 13.388 18.285 7.626 1.00 24.90 N ATOM 78 CA LYS A 5 14.355 17.225 7.201 1.00 23.68 C ATOM 79 C LYS A 5 13.596 15.942 6.851 1.00 22.54 C ATOM 80 O LYS A 5 12.429 15.799 7.162 1.00 22.65 O ATOM 81 CB LYS A 5 15.340 16.941 8.339 1.00 23.01 C ATOM 82 CG LYS A 5 16.599 17.791 8.151 1.00 23.78 C ATOM 83 CD LYS A 5 17.710 17.268 9.067 1.00 23.28 C ATOM 84 CE LYS A 5 18.525 16.191 8.342 1.00 22.99 C ATOM 85 NZ LYS A 5 19.941 16.640 8.217 1.00 23.81 N ATOM 0 H LYS A 5 13.400 19.131 7.057 1.00 24.90 H new ATOM 0 HA LYS A 5 14.903 17.571 6.324 1.00 23.68 H new ATOM 0 HB2 LYS A 5 14.877 17.166 9.300 1.00 23.01 H new ATOM 0 HB3 LYS A 5 15.602 15.883 8.352 1.00 23.01 H new ATOM 0 HG2 LYS A 5 16.923 17.755 7.111 1.00 23.78 H new ATOM 0 HG3 LYS A 5 16.384 18.834 8.382 1.00 23.78 H new ATOM 0 HD2 LYS A 5 18.362 18.089 9.367 1.00 23.28 H new ATOM 0 HD3 LYS A 5 17.277 16.856 9.978 1.00 23.28 H new ATOM 0 HE2 LYS A 5 18.477 15.251 8.893 1.00 22.99 H new ATOM 0 HE3 LYS A 5 18.103 16.004 7.355 1.00 22.99 H new ATOM 0 HZ1 LYS A 5 20.495 15.910 7.725 1.00 23.81 H new ATOM 0 HZ2 LYS A 5 19.978 17.526 7.674 1.00 23.81 H new ATOM 0 HZ3 LYS A 5 20.340 16.798 9.164 1.00 23.81 H new ATOM 99 N ALA A 6 14.253 15.012 6.206 1.00 21.62 N ATOM 100 CA ALA A 6 13.580 13.735 5.831 1.00 20.63 C ATOM 101 C ALA A 6 13.757 12.709 6.966 1.00 18.83 C ATOM 102 O ALA A 6 14.725 12.778 7.697 1.00 18.28 O ATOM 103 CB ALA A 6 14.207 13.189 4.546 1.00 20.63 C ATOM 0 H ALA A 6 15.230 15.084 5.923 1.00 21.62 H new ATOM 0 HA ALA A 6 12.517 13.916 5.669 1.00 20.63 H new ATOM 0 HB1 ALA A 6 13.717 12.255 4.270 1.00 20.63 H new ATOM 0 HB2 ALA A 6 14.082 13.916 3.743 1.00 20.63 H new ATOM 0 HB3 ALA A 6 15.269 13.007 4.708 1.00 20.63 H new ATOM 109 N PRO A 7 12.823 11.777 7.092 1.00 18.17 N ATOM 110 CA PRO A 7 12.901 10.750 8.148 1.00 16.61 C ATOM 111 C PRO A 7 14.166 9.905 7.969 1.00 15.29 C ATOM 112 O PRO A 7 14.236 9.054 7.102 1.00 14.97 O ATOM 113 CB PRO A 7 11.641 9.889 7.961 1.00 16.53 C ATOM 114 CG PRO A 7 10.853 10.460 6.755 1.00 18.16 C ATOM 115 CD PRO A 7 11.632 11.669 6.218 1.00 19.14 C ATOM 0 HA PRO A 7 12.950 11.185 9.146 1.00 16.61 H new ATOM 0 HB2 PRO A 7 11.912 8.849 7.782 1.00 16.53 H new ATOM 0 HB3 PRO A 7 11.028 9.908 8.862 1.00 16.53 H new ATOM 0 HG2 PRO A 7 10.740 9.703 5.979 1.00 18.16 H new ATOM 0 HG3 PRO A 7 9.849 10.757 7.060 1.00 18.16 H new ATOM 0 HD2 PRO A 7 11.919 11.523 5.177 1.00 19.14 H new ATOM 0 HD3 PRO A 7 11.029 12.576 6.258 1.00 19.14 H new ATOM 123 N GLN A 8 15.163 10.135 8.785 1.00 14.87 N ATOM 124 CA GLN A 8 16.428 9.350 8.671 1.00 13.98 C ATOM 125 C GLN A 8 16.331 8.096 9.543 1.00 12.43 C ATOM 126 O GLN A 8 16.680 7.009 9.121 1.00 12.11 O ATOM 127 CB GLN A 8 17.605 10.208 9.141 1.00 14.68 C ATOM 128 CG GLN A 8 18.192 10.972 7.951 1.00 15.92 C ATOM 129 CD GLN A 8 19.711 11.073 8.106 1.00 16.23 C ATOM 130 OE1 GLN A 8 20.442 10.255 7.583 1.00 16.22 O ATOM 131 NE2 GLN A 8 20.221 12.049 8.807 1.00 16.84 N ATOM 0 H GLN A 8 15.155 10.835 9.527 1.00 14.87 H new ATOM 0 HA GLN A 8 16.582 9.059 7.632 1.00 13.98 H new ATOM 0 HB2 GLN A 8 17.274 10.908 9.908 1.00 14.68 H new ATOM 0 HB3 GLN A 8 18.370 9.577 9.594 1.00 14.68 H new ATOM 0 HG2 GLN A 8 17.944 10.462 7.020 1.00 15.92 H new ATOM 0 HG3 GLN A 8 17.755 11.969 7.894 1.00 15.92 H new ATOM 0 HE21 GLN A 8 19.608 12.736 9.246 1.00 16.84 H new ATOM 0 HE22 GLN A 8 21.232 12.125 8.915 1.00 16.84 H new ATOM 140 N GLU A 9 15.861 8.242 10.756 1.00 11.77 N ATOM 141 CA GLU A 9 15.738 7.065 11.664 1.00 10.54 C ATOM 142 C GLU A 9 14.344 6.450 11.518 1.00 9.54 C ATOM 143 O GLU A 9 13.374 6.960 12.047 1.00 10.01 O ATOM 144 CB GLU A 9 15.949 7.514 13.112 1.00 10.88 C ATOM 145 CG GLU A 9 17.447 7.542 13.425 1.00 11.54 C ATOM 146 CD GLU A 9 17.668 8.151 14.811 1.00 12.45 C ATOM 147 OE1 GLU A 9 16.897 7.839 15.703 1.00 12.41 O ATOM 148 OE2 GLU A 9 18.605 8.919 14.956 1.00 13.44 O ATOM 0 H GLU A 9 15.557 9.129 11.156 1.00 11.77 H new ATOM 0 HA GLU A 9 16.491 6.323 11.400 1.00 10.54 H new ATOM 0 HB2 GLU A 9 15.516 8.503 13.264 1.00 10.88 H new ATOM 0 HB3 GLU A 9 15.437 6.834 13.793 1.00 10.88 H new ATOM 0 HG2 GLU A 9 17.855 6.532 13.391 1.00 11.54 H new ATOM 0 HG3 GLU A 9 17.976 8.125 12.671 1.00 11.54 H new ATOM 155 N THR A 10 14.239 5.359 10.802 1.00 8.54 N ATOM 156 CA THR A 10 12.911 4.703 10.616 1.00 7.75 C ATOM 157 C THR A 10 12.919 3.335 11.300 1.00 5.98 C ATOM 158 O THR A 10 13.688 2.460 10.946 1.00 5.66 O ATOM 159 CB THR A 10 12.636 4.525 9.120 1.00 8.61 C ATOM 160 OG1 THR A 10 13.783 3.969 8.492 1.00 8.77 O ATOM 161 CG2 THR A 10 12.315 5.882 8.492 1.00 10.21 C ATOM 0 H THR A 10 15.019 4.894 10.337 1.00 8.54 H new ATOM 0 HA THR A 10 12.132 5.325 11.057 1.00 7.75 H new ATOM 0 HB THR A 10 11.787 3.856 8.984 1.00 8.61 H new ATOM 0 HG1 THR A 10 14.121 3.223 9.030 1.00 8.77 H new ATOM 0 HG21 THR A 10 12.120 5.753 7.427 1.00 10.21 H new ATOM 0 HG22 THR A 10 11.434 6.307 8.974 1.00 10.21 H new ATOM 0 HG23 THR A 10 13.162 6.555 8.627 1.00 10.21 H new ATOM 169 N LEU A 11 12.069 3.146 12.277 1.00 5.57 N ATOM 170 CA LEU A 11 12.019 1.837 12.992 1.00 4.68 C ATOM 171 C LEU A 11 11.608 0.733 12.015 1.00 3.56 C ATOM 172 O LEU A 11 12.254 -0.293 11.922 1.00 3.95 O ATOM 173 CB LEU A 11 11.001 1.916 14.131 1.00 5.79 C ATOM 174 CG LEU A 11 11.708 2.340 15.419 1.00 7.12 C ATOM 175 CD1 LEU A 11 12.226 3.772 15.272 1.00 8.28 C ATOM 176 CD2 LEU A 11 10.722 2.275 16.587 1.00 8.35 C ATOM 0 H LEU A 11 11.405 3.845 12.611 1.00 5.57 H new ATOM 0 HA LEU A 11 13.004 1.610 13.400 1.00 4.68 H new ATOM 0 HB2 LEU A 11 10.216 2.630 13.882 1.00 5.79 H new ATOM 0 HB3 LEU A 11 10.519 0.948 14.270 1.00 5.79 H new ATOM 0 HG LEU A 11 12.545 1.668 15.610 1.00 7.12 H new ATOM 0 HD11 LEU A 11 12.730 4.073 16.191 1.00 8.28 H new ATOM 0 HD12 LEU A 11 12.929 3.821 14.440 1.00 8.28 H new ATOM 0 HD13 LEU A 11 11.389 4.444 15.080 1.00 8.28 H new ATOM 0 HD21 LEU A 11 11.225 2.577 17.505 1.00 8.35 H new ATOM 0 HD22 LEU A 11 9.885 2.946 16.394 1.00 8.35 H new ATOM 0 HD23 LEU A 11 10.352 1.255 16.695 1.00 8.35 H new ATOM 188 N ASN A 12 10.541 0.941 11.287 1.00 2.91 N ATOM 189 CA ASN A 12 10.082 -0.091 10.311 1.00 2.38 C ATOM 190 C ASN A 12 10.090 0.508 8.899 1.00 1.78 C ATOM 191 O ASN A 12 11.012 0.296 8.135 1.00 1.95 O ATOM 192 CB ASN A 12 8.667 -0.551 10.679 1.00 3.28 C ATOM 193 CG ASN A 12 8.749 -1.772 11.595 1.00 4.44 C ATOM 194 OD1 ASN A 12 8.448 -1.687 12.769 1.00 4.89 O ATOM 195 ND2 ASN A 12 9.143 -2.916 11.106 1.00 5.66 N ATOM 0 H ASN A 12 9.967 1.783 11.327 1.00 2.91 H new ATOM 0 HA ASN A 12 10.753 -0.950 10.340 1.00 2.38 H new ATOM 0 HB2 ASN A 12 8.129 0.255 11.178 1.00 3.28 H new ATOM 0 HB3 ASN A 12 8.107 -0.797 9.777 1.00 3.28 H new ATOM 0 HD21 ASN A 12 9.198 -3.737 11.709 1.00 5.66 H new ATOM 0 HD22 ASN A 12 9.396 -2.989 10.121 1.00 5.66 H new ATOM 202 N GLY A 13 9.071 1.258 8.549 1.00 1.60 N ATOM 203 CA GLY A 13 9.018 1.876 7.190 1.00 1.82 C ATOM 204 C GLY A 13 9.023 0.780 6.123 1.00 1.80 C ATOM 205 O GLY A 13 10.030 0.525 5.490 1.00 2.99 O ATOM 0 H GLY A 13 8.273 1.468 9.149 1.00 1.60 H new ATOM 0 HA2 GLY A 13 8.121 2.487 7.093 1.00 1.82 H new ATOM 0 HA3 GLY A 13 9.872 2.539 7.048 1.00 1.82 H new ATOM 209 N GLY A 14 7.904 0.132 5.921 1.00 1.54 N ATOM 210 CA GLY A 14 7.834 -0.949 4.896 1.00 1.40 C ATOM 211 C GLY A 14 6.493 -0.878 4.166 1.00 1.20 C ATOM 212 O GLY A 14 5.931 -1.888 3.784 1.00 1.21 O ATOM 0 H GLY A 14 7.034 0.307 6.424 1.00 1.54 H new ATOM 0 HA2 GLY A 14 8.653 -0.843 4.184 1.00 1.40 H new ATOM 0 HA3 GLY A 14 7.949 -1.923 5.372 1.00 1.40 H new ATOM 216 N ILE A 15 5.979 0.310 3.966 1.00 1.08 N ATOM 217 CA ILE A 15 4.674 0.453 3.258 1.00 0.91 C ATOM 218 C ILE A 15 4.899 0.380 1.754 1.00 0.77 C ATOM 219 O ILE A 15 4.448 -0.531 1.094 1.00 0.77 O ATOM 220 CB ILE A 15 4.044 1.812 3.578 1.00 0.86 C ATOM 221 CG1 ILE A 15 3.823 1.943 5.083 1.00 1.05 C ATOM 222 CG2 ILE A 15 2.699 1.949 2.851 1.00 0.85 C ATOM 223 CD1 ILE A 15 3.302 3.346 5.380 1.00 1.38 C ATOM 0 H ILE A 15 6.408 1.186 4.263 1.00 1.08 H new ATOM 0 HA ILE A 15 4.014 -0.350 3.587 1.00 0.91 H new ATOM 0 HB ILE A 15 4.718 2.600 3.243 1.00 0.86 H new ATOM 0 HG12 ILE A 15 3.109 1.194 5.427 1.00 1.05 H new ATOM 0 HG13 ILE A 15 4.755 1.765 5.619 1.00 1.05 H new ATOM 0 HG21 ILE A 15 2.257 2.918 3.083 1.00 0.85 H new ATOM 0 HG22 ILE A 15 2.857 1.871 1.775 1.00 0.85 H new ATOM 0 HG23 ILE A 15 2.027 1.156 3.177 1.00 0.85 H new ATOM 0 HD11 ILE A 15 3.139 3.454 6.452 1.00 1.38 H new ATOM 0 HD12 ILE A 15 4.033 4.083 5.048 1.00 1.38 H new ATOM 0 HD13 ILE A 15 2.361 3.504 4.853 1.00 1.38 H new ATOM 235 N THR A 16 5.560 1.366 1.210 1.00 0.75 N ATOM 236 CA THR A 16 5.785 1.403 -0.256 1.00 0.68 C ATOM 237 C THR A 16 6.499 0.128 -0.732 1.00 0.71 C ATOM 238 O THR A 16 6.441 -0.221 -1.894 1.00 0.69 O ATOM 239 CB THR A 16 6.636 2.623 -0.611 1.00 0.72 C ATOM 240 OG1 THR A 16 6.937 2.595 -2.000 1.00 0.79 O ATOM 241 CG2 THR A 16 7.933 2.594 0.198 1.00 0.75 C ATOM 0 H THR A 16 5.955 2.152 1.726 1.00 0.75 H new ATOM 0 HA THR A 16 4.817 1.466 -0.753 1.00 0.68 H new ATOM 0 HB THR A 16 6.087 3.535 -0.376 1.00 0.72 H new ATOM 0 HG1 THR A 16 7.864 2.882 -2.140 1.00 0.79 H new ATOM 0 HG21 THR A 16 8.539 3.464 -0.055 1.00 0.75 H new ATOM 0 HG22 THR A 16 7.698 2.613 1.262 1.00 0.75 H new ATOM 0 HG23 THR A 16 8.487 1.685 -0.035 1.00 0.75 H new ATOM 249 N ASP A 17 7.182 -0.557 0.153 1.00 0.79 N ATOM 250 CA ASP A 17 7.915 -1.795 -0.253 1.00 0.86 C ATOM 251 C ASP A 17 6.947 -2.980 -0.364 1.00 0.84 C ATOM 252 O ASP A 17 6.737 -3.519 -1.433 1.00 0.92 O ATOM 253 CB ASP A 17 8.986 -2.112 0.793 1.00 1.00 C ATOM 254 CG ASP A 17 10.202 -2.736 0.105 1.00 1.32 C ATOM 255 OD1 ASP A 17 10.634 -2.193 -0.898 1.00 2.11 O ATOM 256 OD2 ASP A 17 10.681 -3.746 0.593 1.00 2.54 O ATOM 0 H ASP A 17 7.263 -0.311 1.140 1.00 0.79 H new ATOM 0 HA ASP A 17 8.379 -1.628 -1.225 1.00 0.86 H new ATOM 0 HB2 ASP A 17 9.278 -1.202 1.317 1.00 1.00 H new ATOM 0 HB3 ASP A 17 8.587 -2.797 1.542 1.00 1.00 H new ATOM 261 N MET A 18 6.373 -3.396 0.735 1.00 0.87 N ATOM 262 CA MET A 18 5.431 -4.558 0.709 1.00 0.92 C ATOM 263 C MET A 18 4.255 -4.284 -0.239 1.00 0.81 C ATOM 264 O MET A 18 3.600 -5.204 -0.705 1.00 0.85 O ATOM 265 CB MET A 18 4.894 -4.803 2.120 1.00 1.02 C ATOM 266 CG MET A 18 4.430 -6.254 2.244 1.00 1.52 C ATOM 267 SD MET A 18 5.872 -7.348 2.263 1.00 1.93 S ATOM 268 CE MET A 18 5.059 -8.783 3.009 1.00 2.27 C ATOM 0 H MET A 18 6.516 -2.979 1.655 1.00 0.87 H new ATOM 0 HA MET A 18 5.970 -5.436 0.353 1.00 0.92 H new ATOM 0 HB2 MET A 18 5.669 -4.594 2.857 1.00 1.02 H new ATOM 0 HB3 MET A 18 4.065 -4.126 2.328 1.00 1.02 H new ATOM 0 HG2 MET A 18 3.849 -6.385 3.157 1.00 1.52 H new ATOM 0 HG3 MET A 18 3.776 -6.511 1.410 1.00 1.52 H new ATOM 0 HE1 MET A 18 5.779 -9.594 3.116 1.00 2.27 H new ATOM 0 HE2 MET A 18 4.670 -8.511 3.990 1.00 2.27 H new ATOM 0 HE3 MET A 18 4.238 -9.109 2.370 1.00 2.27 H new ATOM 278 N LEU A 19 3.990 -3.037 -0.546 1.00 0.73 N ATOM 279 CA LEU A 19 2.868 -2.719 -1.470 1.00 0.67 C ATOM 280 C LEU A 19 3.346 -2.992 -2.889 1.00 0.68 C ATOM 281 O LEU A 19 2.620 -3.495 -3.724 1.00 0.71 O ATOM 282 CB LEU A 19 2.463 -1.248 -1.325 1.00 0.59 C ATOM 283 CG LEU A 19 0.938 -1.131 -1.396 1.00 0.56 C ATOM 284 CD1 LEU A 19 0.472 0.062 -0.564 1.00 1.62 C ATOM 285 CD2 LEU A 19 0.510 -0.932 -2.850 1.00 1.69 C ATOM 0 H LEU A 19 4.505 -2.229 -0.194 1.00 0.73 H new ATOM 0 HA LEU A 19 1.998 -3.332 -1.235 1.00 0.67 H new ATOM 0 HB2 LEU A 19 2.825 -0.851 -0.377 1.00 0.59 H new ATOM 0 HB3 LEU A 19 2.922 -0.654 -2.115 1.00 0.59 H new ATOM 0 HG LEU A 19 0.489 -2.043 -1.003 1.00 0.56 H new ATOM 0 HD11 LEU A 19 -0.614 0.141 -0.618 1.00 1.62 H new ATOM 0 HD12 LEU A 19 0.775 -0.078 0.474 1.00 1.62 H new ATOM 0 HD13 LEU A 19 0.922 0.975 -0.953 1.00 1.62 H new ATOM 0 HD21 LEU A 19 -0.576 -0.849 -2.902 1.00 1.69 H new ATOM 0 HD22 LEU A 19 0.963 -0.021 -3.241 1.00 1.69 H new ATOM 0 HD23 LEU A 19 0.837 -1.784 -3.445 1.00 1.69 H new ATOM 297 N VAL A 20 4.585 -2.684 -3.148 1.00 0.69 N ATOM 298 CA VAL A 20 5.163 -2.939 -4.491 1.00 0.75 C ATOM 299 C VAL A 20 5.399 -4.453 -4.654 1.00 0.86 C ATOM 300 O VAL A 20 5.545 -4.943 -5.757 1.00 0.95 O ATOM 301 CB VAL A 20 6.484 -2.167 -4.609 1.00 0.74 C ATOM 302 CG1 VAL A 20 7.183 -2.506 -5.923 1.00 0.91 C ATOM 303 CG2 VAL A 20 6.192 -0.665 -4.575 1.00 0.62 C ATOM 0 H VAL A 20 5.227 -2.262 -2.477 1.00 0.69 H new ATOM 0 HA VAL A 20 4.484 -2.605 -5.276 1.00 0.75 H new ATOM 0 HB VAL A 20 7.132 -2.447 -3.778 1.00 0.74 H new ATOM 0 HG11 VAL A 20 8.118 -1.950 -5.991 1.00 0.91 H new ATOM 0 HG12 VAL A 20 7.393 -3.575 -5.958 1.00 0.91 H new ATOM 0 HG13 VAL A 20 6.538 -2.235 -6.759 1.00 0.91 H new ATOM 0 HG21 VAL A 20 7.127 -0.111 -4.658 1.00 0.62 H new ATOM 0 HG22 VAL A 20 5.539 -0.402 -5.407 1.00 0.62 H new ATOM 0 HG23 VAL A 20 5.702 -0.411 -3.635 1.00 0.62 H new ATOM 313 N GLU A 21 5.430 -5.195 -3.567 1.00 0.90 N ATOM 314 CA GLU A 21 5.645 -6.667 -3.664 1.00 1.03 C ATOM 315 C GLU A 21 4.397 -7.317 -4.265 1.00 0.99 C ATOM 316 O GLU A 21 4.472 -8.054 -5.238 1.00 0.99 O ATOM 317 CB GLU A 21 5.899 -7.237 -2.266 1.00 1.13 C ATOM 318 CG GLU A 21 7.356 -6.988 -1.868 1.00 2.15 C ATOM 319 CD GLU A 21 8.253 -8.038 -2.525 1.00 2.09 C ATOM 320 OE1 GLU A 21 8.201 -9.181 -2.103 1.00 2.56 O ATOM 321 OE2 GLU A 21 8.977 -7.682 -3.440 1.00 3.18 O ATOM 0 H GLU A 21 5.315 -4.838 -2.619 1.00 0.90 H new ATOM 0 HA GLU A 21 6.506 -6.873 -4.299 1.00 1.03 H new ATOM 0 HB2 GLU A 21 5.229 -6.770 -1.544 1.00 1.13 H new ATOM 0 HB3 GLU A 21 5.685 -8.306 -2.253 1.00 1.13 H new ATOM 0 HG2 GLU A 21 7.662 -5.989 -2.177 1.00 2.15 H new ATOM 0 HG3 GLU A 21 7.460 -7.033 -0.784 1.00 2.15 H new ATOM 328 N LEU A 22 3.239 -7.048 -3.703 1.00 1.01 N ATOM 329 CA LEU A 22 1.990 -7.649 -4.259 1.00 1.03 C ATOM 330 C LEU A 22 1.806 -7.141 -5.705 1.00 0.95 C ATOM 331 O LEU A 22 1.222 -7.808 -6.525 1.00 0.93 O ATOM 332 CB LEU A 22 0.784 -7.310 -3.329 1.00 1.30 C ATOM 333 CG LEU A 22 -0.352 -6.576 -4.070 1.00 1.12 C ATOM 334 CD1 LEU A 22 -1.634 -6.610 -3.234 1.00 1.71 C ATOM 335 CD2 LEU A 22 0.077 -5.129 -4.315 1.00 3.19 C ATOM 0 H LEU A 22 3.109 -6.444 -2.891 1.00 1.01 H new ATOM 0 HA LEU A 22 2.054 -8.737 -4.295 1.00 1.03 H new ATOM 0 HB2 LEU A 22 0.394 -8.231 -2.896 1.00 1.30 H new ATOM 0 HB3 LEU A 22 1.131 -6.691 -2.501 1.00 1.30 H new ATOM 0 HG LEU A 22 -0.550 -7.069 -5.022 1.00 1.12 H new ATOM 0 HD11 LEU A 22 -2.430 -6.089 -3.767 1.00 1.71 H new ATOM 0 HD12 LEU A 22 -1.929 -7.645 -3.063 1.00 1.71 H new ATOM 0 HD13 LEU A 22 -1.457 -6.120 -2.276 1.00 1.71 H new ATOM 0 HD21 LEU A 22 -0.718 -4.598 -4.839 1.00 3.19 H new ATOM 0 HD22 LEU A 22 0.272 -4.641 -3.360 1.00 3.19 H new ATOM 0 HD23 LEU A 22 0.983 -5.116 -4.921 1.00 3.19 H new ATOM 347 N ALA A 23 2.303 -5.974 -6.020 1.00 0.98 N ATOM 348 CA ALA A 23 2.156 -5.466 -7.416 1.00 1.00 C ATOM 349 C ALA A 23 3.112 -6.256 -8.316 1.00 0.96 C ATOM 350 O ALA A 23 2.847 -6.481 -9.480 1.00 1.02 O ATOM 351 CB ALA A 23 2.499 -3.982 -7.470 1.00 1.11 C ATOM 0 H ALA A 23 2.800 -5.356 -5.378 1.00 0.98 H new ATOM 0 HA ALA A 23 1.128 -5.594 -7.755 1.00 1.00 H new ATOM 0 HB1 ALA A 23 2.389 -3.620 -8.492 1.00 1.11 H new ATOM 0 HB2 ALA A 23 1.826 -3.429 -6.815 1.00 1.11 H new ATOM 0 HB3 ALA A 23 3.528 -3.834 -7.142 1.00 1.11 H new ATOM 357 N ASN A 24 4.217 -6.696 -7.765 1.00 0.93 N ATOM 358 CA ASN A 24 5.198 -7.494 -8.550 1.00 0.99 C ATOM 359 C ASN A 24 4.685 -8.936 -8.712 1.00 1.07 C ATOM 360 O ASN A 24 5.274 -9.717 -9.432 1.00 1.18 O ATOM 361 CB ASN A 24 6.544 -7.502 -7.814 1.00 1.02 C ATOM 362 CG ASN A 24 7.680 -7.238 -8.806 1.00 1.33 C ATOM 363 OD1 ASN A 24 8.611 -6.519 -8.501 1.00 2.32 O ATOM 364 ND2 ASN A 24 7.642 -7.791 -9.986 1.00 2.29 N ATOM 0 H ASN A 24 4.480 -6.532 -6.793 1.00 0.93 H new ATOM 0 HA ASN A 24 5.324 -7.050 -9.537 1.00 0.99 H new ATOM 0 HB2 ASN A 24 6.546 -6.741 -7.034 1.00 1.02 H new ATOM 0 HB3 ASN A 24 6.694 -8.463 -7.323 1.00 1.02 H new ATOM 0 HD21 ASN A 24 8.394 -7.620 -10.654 1.00 2.29 H new ATOM 0 HD22 ASN A 24 6.860 -8.394 -10.241 1.00 2.29 H new ATOM 371 N PHE A 25 3.596 -9.292 -8.039 1.00 1.09 N ATOM 372 CA PHE A 25 3.013 -10.682 -8.131 1.00 1.23 C ATOM 373 C PHE A 25 3.102 -11.232 -9.566 1.00 1.35 C ATOM 374 O PHE A 25 3.551 -12.339 -9.790 1.00 1.55 O ATOM 375 CB PHE A 25 1.532 -10.624 -7.712 1.00 1.24 C ATOM 376 CG PHE A 25 1.328 -11.313 -6.382 1.00 1.34 C ATOM 377 CD1 PHE A 25 1.649 -12.665 -6.241 1.00 2.22 C ATOM 378 CD2 PHE A 25 0.802 -10.602 -5.295 1.00 2.09 C ATOM 379 CE1 PHE A 25 1.447 -13.307 -5.015 1.00 2.39 C ATOM 380 CE2 PHE A 25 0.598 -11.243 -4.071 1.00 2.16 C ATOM 381 CZ PHE A 25 0.920 -12.597 -3.930 1.00 1.69 C ATOM 0 H PHE A 25 3.082 -8.664 -7.421 1.00 1.09 H new ATOM 0 HA PHE A 25 3.581 -11.341 -7.474 1.00 1.23 H new ATOM 0 HB2 PHE A 25 1.208 -9.585 -7.643 1.00 1.24 H new ATOM 0 HB3 PHE A 25 0.914 -11.101 -8.473 1.00 1.24 H new ATOM 0 HD1 PHE A 25 2.053 -13.214 -7.078 1.00 2.22 H new ATOM 0 HD2 PHE A 25 0.554 -9.557 -5.404 1.00 2.09 H new ATOM 0 HE1 PHE A 25 1.698 -14.352 -4.905 1.00 2.39 H new ATOM 0 HE2 PHE A 25 0.192 -10.694 -3.234 1.00 2.16 H new ATOM 0 HZ PHE A 25 0.762 -13.094 -2.984 1.00 1.69 H new ATOM 391 N GLU A 26 2.683 -10.453 -10.535 1.00 1.37 N ATOM 392 CA GLU A 26 2.741 -10.904 -11.967 1.00 1.56 C ATOM 393 C GLU A 26 2.112 -12.296 -12.120 1.00 1.76 C ATOM 394 O GLU A 26 2.456 -13.044 -13.016 1.00 2.04 O ATOM 395 CB GLU A 26 4.201 -10.960 -12.421 1.00 1.67 C ATOM 396 CG GLU A 26 4.292 -10.576 -13.899 1.00 2.19 C ATOM 397 CD GLU A 26 5.690 -10.904 -14.428 1.00 2.58 C ATOM 398 OE1 GLU A 26 6.650 -10.525 -13.778 1.00 3.02 O ATOM 399 OE2 GLU A 26 5.775 -11.528 -15.472 1.00 3.39 O ATOM 0 H GLU A 26 2.300 -9.518 -10.397 1.00 1.37 H new ATOM 0 HA GLU A 26 2.184 -10.196 -12.580 1.00 1.56 H new ATOM 0 HB2 GLU A 26 4.806 -10.281 -11.820 1.00 1.67 H new ATOM 0 HB3 GLU A 26 4.602 -11.962 -12.270 1.00 1.67 H new ATOM 0 HG2 GLU A 26 3.539 -11.116 -14.473 1.00 2.19 H new ATOM 0 HG3 GLU A 26 4.085 -9.513 -14.023 1.00 2.19 H new ATOM 406 N LYS A 27 1.200 -12.645 -11.249 1.00 1.80 N ATOM 407 CA LYS A 27 0.550 -13.985 -11.334 1.00 2.09 C ATOM 408 C LYS A 27 -0.721 -13.981 -10.483 1.00 2.35 C ATOM 409 O LYS A 27 -1.822 -13.948 -10.999 1.00 2.62 O ATOM 410 CB LYS A 27 1.524 -15.053 -10.812 1.00 2.19 C ATOM 411 CG LYS A 27 2.011 -15.924 -11.973 1.00 2.17 C ATOM 412 CD LYS A 27 1.153 -17.188 -12.058 1.00 2.92 C ATOM 413 CE LYS A 27 1.708 -18.247 -11.104 1.00 3.75 C ATOM 414 NZ LYS A 27 0.605 -19.148 -10.667 1.00 4.93 N ATOM 0 H LYS A 27 0.877 -12.057 -10.481 1.00 1.80 H new ATOM 0 HA LYS A 27 0.291 -14.209 -12.369 1.00 2.09 H new ATOM 0 HB2 LYS A 27 2.373 -14.576 -10.323 1.00 2.19 H new ATOM 0 HB3 LYS A 27 1.031 -15.672 -10.063 1.00 2.19 H new ATOM 0 HG2 LYS A 27 1.952 -15.368 -12.909 1.00 2.17 H new ATOM 0 HG3 LYS A 27 3.058 -16.191 -11.827 1.00 2.17 H new ATOM 0 HD2 LYS A 27 0.120 -16.957 -11.800 1.00 2.92 H new ATOM 0 HD3 LYS A 27 1.149 -17.570 -13.079 1.00 2.92 H new ATOM 0 HE2 LYS A 27 2.489 -18.824 -11.599 1.00 3.75 H new ATOM 0 HE3 LYS A 27 2.166 -17.768 -10.238 1.00 3.75 H new ATOM 0 HZ1 LYS A 27 0.982 -19.868 -10.018 1.00 4.93 H new ATOM 0 HZ2 LYS A 27 -0.126 -18.591 -10.180 1.00 4.93 H new ATOM 0 HZ3 LYS A 27 0.188 -19.614 -11.498 1.00 4.93 H new ATOM 428 N ASN A 28 -0.575 -14.007 -9.182 1.00 2.42 N ATOM 429 CA ASN A 28 -1.771 -13.998 -8.287 1.00 2.82 C ATOM 430 C ASN A 28 -2.551 -12.699 -8.504 1.00 2.64 C ATOM 431 O ASN A 28 -3.759 -12.661 -8.372 1.00 2.92 O ATOM 432 CB ASN A 28 -1.321 -14.088 -6.828 1.00 2.95 C ATOM 433 CG ASN A 28 -2.401 -14.791 -6.004 1.00 3.73 C ATOM 434 OD1 ASN A 28 -3.173 -14.150 -5.318 1.00 4.51 O ATOM 435 ND2 ASN A 28 -2.491 -16.093 -6.043 1.00 4.04 N ATOM 0 H ASN A 28 0.324 -14.034 -8.700 1.00 2.42 H new ATOM 0 HA ASN A 28 -2.408 -14.851 -8.519 1.00 2.82 H new ATOM 0 HB2 ASN A 28 -0.381 -14.636 -6.759 1.00 2.95 H new ATOM 0 HB3 ASN A 28 -1.137 -13.090 -6.431 1.00 2.95 H new ATOM 0 HD21 ASN A 28 -3.209 -16.571 -5.498 1.00 4.04 H new ATOM 0 HD22 ASN A 28 -1.844 -16.632 -6.618 1.00 4.04 H new ATOM 442 N VAL A 29 -1.863 -11.639 -8.846 1.00 2.31 N ATOM 443 CA VAL A 29 -2.551 -10.339 -9.086 1.00 2.25 C ATOM 444 C VAL A 29 -2.735 -10.131 -10.594 1.00 2.59 C ATOM 445 O VAL A 29 -3.615 -9.406 -11.022 1.00 3.31 O ATOM 446 CB VAL A 29 -1.719 -9.198 -8.489 1.00 1.55 C ATOM 447 CG1 VAL A 29 -2.480 -7.885 -8.630 1.00 1.66 C ATOM 448 CG2 VAL A 29 -1.493 -9.474 -7.007 1.00 1.69 C ATOM 0 H VAL A 29 -0.851 -11.620 -8.969 1.00 2.31 H new ATOM 0 HA VAL A 29 -3.530 -10.347 -8.607 1.00 2.25 H new ATOM 0 HB VAL A 29 -0.765 -9.130 -9.012 1.00 1.55 H new ATOM 0 HG11 VAL A 29 -1.888 -7.074 -8.205 1.00 1.66 H new ATOM 0 HG12 VAL A 29 -2.667 -7.684 -9.685 1.00 1.66 H new ATOM 0 HG13 VAL A 29 -3.430 -7.956 -8.101 1.00 1.66 H new ATOM 0 HG21 VAL A 29 -0.902 -8.668 -6.573 1.00 1.69 H new ATOM 0 HG22 VAL A 29 -2.455 -9.534 -6.497 1.00 1.69 H new ATOM 0 HG23 VAL A 29 -0.961 -10.418 -6.890 1.00 1.69 H new ATOM 458 N SER A 30 -1.923 -10.772 -11.405 1.00 2.67 N ATOM 459 CA SER A 30 -2.065 -10.622 -12.884 1.00 3.22 C ATOM 460 C SER A 30 -3.426 -11.175 -13.313 1.00 4.25 C ATOM 461 O SER A 30 -4.202 -11.628 -12.493 1.00 5.43 O ATOM 462 CB SER A 30 -0.952 -11.401 -13.587 1.00 3.57 C ATOM 463 OG SER A 30 -1.206 -12.794 -13.467 1.00 5.38 O ATOM 0 H SER A 30 -1.170 -11.391 -11.103 1.00 2.67 H new ATOM 0 HA SER A 30 -1.993 -9.569 -13.156 1.00 3.22 H new ATOM 0 HB2 SER A 30 -0.902 -11.118 -14.638 1.00 3.57 H new ATOM 0 HB3 SER A 30 0.014 -11.156 -13.145 1.00 3.57 H new ATOM 0 HG SER A 30 -1.555 -12.987 -12.572 1.00 5.38 H new ATOM 469 N GLN A 31 -3.729 -11.134 -14.588 1.00 4.33 N ATOM 470 CA GLN A 31 -5.049 -11.649 -15.072 1.00 5.55 C ATOM 471 C GLN A 31 -6.187 -10.921 -14.343 1.00 5.65 C ATOM 472 O GLN A 31 -7.279 -11.439 -14.200 1.00 6.83 O ATOM 473 CB GLN A 31 -5.146 -13.152 -14.796 1.00 6.70 C ATOM 474 CG GLN A 31 -4.162 -13.903 -15.696 1.00 6.85 C ATOM 475 CD GLN A 31 -4.582 -13.743 -17.159 1.00 6.70 C ATOM 476 OE1 GLN A 31 -4.127 -12.732 -17.848 1.00 7.79 O flip ATOM 477 NE2 GLN A 31 -5.331 -14.546 -17.680 1.00 5.92 N flip ATOM 0 H GLN A 31 -3.118 -10.765 -15.316 1.00 4.33 H new ATOM 0 HA GLN A 31 -5.133 -11.470 -16.144 1.00 5.55 H new ATOM 0 HB2 GLN A 31 -4.924 -13.355 -13.748 1.00 6.70 H new ATOM 0 HB3 GLN A 31 -6.162 -13.501 -14.980 1.00 6.70 H new ATOM 0 HG2 GLN A 31 -3.153 -13.516 -15.552 1.00 6.85 H new ATOM 0 HG3 GLN A 31 -4.140 -14.959 -15.427 1.00 6.85 H new ATOM 0 HE21 GLN A 31 -5.686 -15.336 -17.141 1.00 5.92 H new ATOM 0 HE22 GLN A 31 -5.604 -14.430 -18.656 1.00 5.92 H new ATOM 486 N ALA A 32 -5.929 -9.725 -13.877 1.00 4.74 N ATOM 487 CA ALA A 32 -6.970 -8.946 -13.149 1.00 5.05 C ATOM 488 C ALA A 32 -6.378 -7.586 -12.774 1.00 3.49 C ATOM 489 O ALA A 32 -5.978 -7.361 -11.647 1.00 4.41 O ATOM 490 CB ALA A 32 -7.384 -9.701 -11.883 1.00 6.90 C ATOM 0 H ALA A 32 -5.030 -9.252 -13.972 1.00 4.74 H new ATOM 0 HA ALA A 32 -7.849 -8.809 -13.778 1.00 5.05 H new ATOM 0 HB1 ALA A 32 -8.145 -9.130 -11.352 1.00 6.90 H new ATOM 0 HB2 ALA A 32 -7.787 -10.676 -12.156 1.00 6.90 H new ATOM 0 HB3 ALA A 32 -6.515 -9.835 -11.239 1.00 6.90 H new ATOM 496 N ILE A 33 -6.307 -6.686 -13.721 1.00 1.96 N ATOM 497 CA ILE A 33 -5.727 -5.340 -13.446 1.00 1.65 C ATOM 498 C ILE A 33 -6.731 -4.454 -12.673 1.00 1.84 C ATOM 499 O ILE A 33 -6.419 -3.332 -12.323 1.00 2.81 O ATOM 500 CB ILE A 33 -5.270 -4.719 -14.804 1.00 2.76 C ATOM 501 CG1 ILE A 33 -3.767 -4.395 -14.745 1.00 3.28 C ATOM 502 CG2 ILE A 33 -6.044 -3.439 -15.171 1.00 4.60 C ATOM 503 CD1 ILE A 33 -2.963 -5.668 -14.446 1.00 3.01 C ATOM 0 H ILE A 33 -6.628 -6.828 -14.679 1.00 1.96 H new ATOM 0 HA ILE A 33 -4.854 -5.420 -12.798 1.00 1.65 H new ATOM 0 HB ILE A 33 -5.479 -5.460 -15.575 1.00 2.76 H new ATOM 0 HG12 ILE A 33 -3.443 -3.965 -15.693 1.00 3.28 H new ATOM 0 HG13 ILE A 33 -3.578 -3.647 -13.975 1.00 3.28 H new ATOM 0 HG21 ILE A 33 -5.681 -3.055 -16.124 1.00 4.60 H new ATOM 0 HG22 ILE A 33 -7.107 -3.667 -15.253 1.00 4.60 H new ATOM 0 HG23 ILE A 33 -5.893 -2.688 -14.396 1.00 4.60 H new ATOM 0 HD11 ILE A 33 -1.901 -5.427 -14.407 1.00 3.01 H new ATOM 0 HD12 ILE A 33 -3.277 -6.080 -13.487 1.00 3.01 H new ATOM 0 HD13 ILE A 33 -3.139 -6.403 -15.232 1.00 3.01 H new ATOM 515 N HIS A 34 -7.912 -4.948 -12.386 1.00 1.43 N ATOM 516 CA HIS A 34 -8.899 -4.122 -11.612 1.00 1.67 C ATOM 517 C HIS A 34 -8.421 -4.075 -10.161 1.00 1.34 C ATOM 518 O HIS A 34 -8.597 -3.093 -9.465 1.00 1.74 O ATOM 519 CB HIS A 34 -10.318 -4.732 -11.648 1.00 2.16 C ATOM 520 CG HIS A 34 -10.552 -5.499 -12.924 1.00 3.02 C ATOM 521 ND1 HIS A 34 -10.204 -6.832 -13.043 1.00 3.42 N ATOM 522 CD2 HIS A 34 -11.075 -5.135 -14.139 1.00 4.60 C ATOM 523 CE1 HIS A 34 -10.512 -7.221 -14.288 1.00 4.82 C ATOM 524 NE2 HIS A 34 -11.049 -6.228 -15.002 1.00 5.63 N ATOM 0 H HIS A 34 -8.235 -5.879 -12.650 1.00 1.43 H new ATOM 0 HA HIS A 34 -8.955 -3.129 -12.058 1.00 1.67 H new ATOM 0 HB2 HIS A 34 -10.453 -5.394 -10.793 1.00 2.16 H new ATOM 0 HB3 HIS A 34 -11.060 -3.938 -11.557 1.00 2.16 H new ATOM 0 HD2 HIS A 34 -11.449 -4.153 -14.388 1.00 4.60 H new ATOM 0 HE1 HIS A 34 -10.346 -8.218 -14.668 1.00 4.82 H new ATOM 0 HE2 HIS A 34 -11.370 -6.263 -15.969 1.00 5.63 H new ATOM 532 N LYS A 35 -7.805 -5.139 -9.709 1.00 1.06 N ATOM 533 CA LYS A 35 -7.294 -5.188 -8.310 1.00 1.03 C ATOM 534 C LYS A 35 -5.833 -4.728 -8.315 1.00 0.81 C ATOM 535 O LYS A 35 -5.375 -4.062 -7.409 1.00 0.76 O ATOM 536 CB LYS A 35 -7.378 -6.627 -7.769 1.00 1.37 C ATOM 537 CG LYS A 35 -8.696 -7.297 -8.209 1.00 2.31 C ATOM 538 CD LYS A 35 -9.403 -7.905 -6.994 1.00 2.41 C ATOM 539 CE LYS A 35 -10.381 -8.986 -7.458 1.00 3.53 C ATOM 540 NZ LYS A 35 -9.721 -10.319 -7.384 1.00 4.22 N ATOM 0 H LYS A 35 -7.634 -5.982 -10.257 1.00 1.06 H new ATOM 0 HA LYS A 35 -7.894 -4.539 -7.673 1.00 1.03 H new ATOM 0 HB2 LYS A 35 -6.530 -7.208 -8.132 1.00 1.37 H new ATOM 0 HB3 LYS A 35 -7.315 -6.616 -6.681 1.00 1.37 H new ATOM 0 HG2 LYS A 35 -9.344 -6.564 -8.689 1.00 2.31 H new ATOM 0 HG3 LYS A 35 -8.491 -8.072 -8.947 1.00 2.31 H new ATOM 0 HD2 LYS A 35 -8.670 -8.333 -6.310 1.00 2.41 H new ATOM 0 HD3 LYS A 35 -9.936 -7.129 -6.445 1.00 2.41 H new ATOM 0 HE2 LYS A 35 -11.274 -8.976 -6.833 1.00 3.53 H new ATOM 0 HE3 LYS A 35 -10.704 -8.785 -8.479 1.00 3.53 H new ATOM 0 HZ1 LYS A 35 -10.386 -11.054 -7.699 1.00 4.22 H new ATOM 0 HZ2 LYS A 35 -8.881 -10.325 -7.998 1.00 4.22 H new ATOM 0 HZ3 LYS A 35 -9.434 -10.510 -6.403 1.00 4.22 H new ATOM 554 N TYR A 36 -5.105 -5.084 -9.345 1.00 0.95 N ATOM 555 CA TYR A 36 -3.667 -4.685 -9.459 1.00 0.86 C ATOM 556 C TYR A 36 -3.524 -3.160 -9.357 1.00 0.73 C ATOM 557 O TYR A 36 -2.780 -2.653 -8.538 1.00 0.83 O ATOM 558 CB TYR A 36 -3.145 -5.150 -10.821 1.00 1.01 C ATOM 559 CG TYR A 36 -1.644 -5.007 -10.885 1.00 1.41 C ATOM 560 CD1 TYR A 36 -1.062 -3.736 -10.982 1.00 1.87 C ATOM 561 CD2 TYR A 36 -0.832 -6.148 -10.858 1.00 2.75 C ATOM 562 CE1 TYR A 36 0.329 -3.607 -11.052 1.00 2.14 C ATOM 563 CE2 TYR A 36 0.560 -6.018 -10.928 1.00 3.16 C ATOM 564 CZ TYR A 36 1.140 -4.749 -11.025 1.00 2.34 C ATOM 565 OH TYR A 36 2.513 -4.620 -11.096 1.00 2.83 O ATOM 0 H TYR A 36 -5.452 -5.643 -10.124 1.00 0.95 H new ATOM 0 HA TYR A 36 -3.097 -5.143 -8.651 1.00 0.86 H new ATOM 0 HB2 TYR A 36 -3.425 -6.190 -10.989 1.00 1.01 H new ATOM 0 HB3 TYR A 36 -3.607 -4.563 -11.615 1.00 1.01 H new ATOM 0 HD1 TYR A 36 -1.688 -2.856 -11.003 1.00 1.87 H new ATOM 0 HD2 TYR A 36 -1.280 -7.128 -10.783 1.00 2.75 H new ATOM 0 HE1 TYR A 36 0.778 -2.627 -11.127 1.00 2.14 H new ATOM 0 HE2 TYR A 36 1.186 -6.898 -10.907 1.00 3.16 H new ATOM 0 HH TYR A 36 2.936 -5.441 -10.768 1.00 2.83 H new ATOM 575 N ASN A 37 -4.227 -2.426 -10.187 1.00 0.80 N ATOM 576 CA ASN A 37 -4.132 -0.930 -10.149 1.00 0.79 C ATOM 577 C ASN A 37 -4.500 -0.405 -8.755 1.00 0.68 C ATOM 578 O ASN A 37 -4.138 0.696 -8.387 1.00 0.71 O ATOM 579 CB ASN A 37 -5.080 -0.325 -11.192 1.00 1.05 C ATOM 580 CG ASN A 37 -6.484 -0.913 -11.030 1.00 2.34 C ATOM 581 OD1 ASN A 37 -6.828 -1.422 -9.983 1.00 3.75 O ATOM 582 ND2 ASN A 37 -7.318 -0.861 -12.033 1.00 3.17 N ATOM 0 H ASN A 37 -4.864 -2.799 -10.891 1.00 0.80 H new ATOM 0 HA ASN A 37 -3.106 -0.639 -10.375 1.00 0.79 H new ATOM 0 HB2 ASN A 37 -5.116 0.758 -11.078 1.00 1.05 H new ATOM 0 HB3 ASN A 37 -4.706 -0.527 -12.196 1.00 1.05 H new ATOM 0 HD21 ASN A 37 -8.257 -1.248 -11.936 1.00 3.17 H new ATOM 0 HD22 ASN A 37 -7.031 -0.434 -12.913 1.00 3.17 H new ATOM 589 N ALA A 38 -5.215 -1.180 -7.982 1.00 0.68 N ATOM 590 CA ALA A 38 -5.609 -0.737 -6.613 1.00 0.79 C ATOM 591 C ALA A 38 -4.357 -0.500 -5.766 1.00 0.71 C ATOM 592 O ALA A 38 -4.267 0.460 -5.023 1.00 0.84 O ATOM 593 CB ALA A 38 -6.448 -1.838 -5.957 1.00 0.89 C ATOM 0 H ALA A 38 -5.545 -2.109 -8.244 1.00 0.68 H new ATOM 0 HA ALA A 38 -6.183 0.187 -6.682 1.00 0.79 H new ATOM 0 HB1 ALA A 38 -6.741 -1.524 -4.955 1.00 0.89 H new ATOM 0 HB2 ALA A 38 -7.340 -2.021 -6.556 1.00 0.89 H new ATOM 0 HB3 ALA A 38 -5.860 -2.754 -5.893 1.00 0.89 H new ATOM 599 N TYR A 39 -3.403 -1.385 -5.862 1.00 0.64 N ATOM 600 CA TYR A 39 -2.150 -1.249 -5.047 1.00 0.73 C ATOM 601 C TYR A 39 -1.154 -0.351 -5.775 1.00 0.64 C ATOM 602 O TYR A 39 -0.322 0.281 -5.161 1.00 0.75 O ATOM 603 CB TYR A 39 -1.487 -2.622 -4.805 1.00 0.89 C ATOM 604 CG TYR A 39 -2.499 -3.742 -4.896 1.00 0.85 C ATOM 605 CD1 TYR A 39 -3.381 -3.977 -3.840 1.00 2.39 C ATOM 606 CD2 TYR A 39 -2.553 -4.533 -6.048 1.00 1.80 C ATOM 607 CE1 TYR A 39 -4.321 -5.008 -3.935 1.00 2.33 C ATOM 608 CE2 TYR A 39 -3.490 -5.562 -6.145 1.00 1.89 C ATOM 609 CZ TYR A 39 -4.377 -5.802 -5.088 1.00 0.84 C ATOM 610 OH TYR A 39 -5.305 -6.819 -5.182 1.00 0.87 O ATOM 0 H TYR A 39 -3.433 -2.202 -6.471 1.00 0.64 H new ATOM 0 HA TYR A 39 -2.425 -0.813 -4.086 1.00 0.73 H new ATOM 0 HB2 TYR A 39 -0.697 -2.782 -5.539 1.00 0.89 H new ATOM 0 HB3 TYR A 39 -1.016 -2.633 -3.822 1.00 0.89 H new ATOM 0 HD1 TYR A 39 -3.338 -3.364 -2.952 1.00 2.39 H new ATOM 0 HD2 TYR A 39 -1.869 -4.347 -6.863 1.00 1.80 H new ATOM 0 HE1 TYR A 39 -5.004 -5.192 -3.119 1.00 2.33 H new ATOM 0 HE2 TYR A 39 -3.531 -6.173 -7.035 1.00 1.89 H new ATOM 0 HH TYR A 39 -5.209 -7.270 -6.047 1.00 0.87 H new ATOM 620 N ARG A 40 -1.227 -0.295 -7.075 1.00 0.59 N ATOM 621 CA ARG A 40 -0.281 0.561 -7.844 1.00 0.63 C ATOM 622 C ARG A 40 -0.485 2.026 -7.440 1.00 0.57 C ATOM 623 O ARG A 40 0.463 2.769 -7.243 1.00 0.62 O ATOM 624 CB ARG A 40 -0.566 0.379 -9.337 1.00 0.73 C ATOM 625 CG ARG A 40 0.753 0.321 -10.118 1.00 1.36 C ATOM 626 CD ARG A 40 1.485 1.667 -10.027 1.00 0.90 C ATOM 627 NE ARG A 40 1.684 2.235 -11.404 1.00 1.66 N ATOM 628 CZ ARG A 40 2.248 1.547 -12.376 1.00 2.28 C ATOM 629 NH1 ARG A 40 2.849 0.404 -12.148 1.00 2.85 N ATOM 630 NH2 ARG A 40 2.261 2.044 -13.583 1.00 3.37 N ATOM 0 H ARG A 40 -1.904 -0.807 -7.641 1.00 0.59 H new ATOM 0 HA ARG A 40 0.750 0.278 -7.633 1.00 0.63 H new ATOM 0 HB2 ARG A 40 -1.135 -0.537 -9.498 1.00 0.73 H new ATOM 0 HB3 ARG A 40 -1.179 1.203 -9.702 1.00 0.73 H new ATOM 0 HG2 ARG A 40 1.385 -0.472 -9.719 1.00 1.36 H new ATOM 0 HG3 ARG A 40 0.555 0.077 -11.162 1.00 1.36 H new ATOM 0 HD2 ARG A 40 0.910 2.363 -9.417 1.00 0.90 H new ATOM 0 HD3 ARG A 40 2.449 1.534 -9.536 1.00 0.90 H new ATOM 0 HE ARG A 40 1.371 3.187 -11.593 1.00 1.66 H new ATOM 0 HH11 ARG A 40 2.888 0.028 -11.201 1.00 2.85 H new ATOM 0 HH12 ARG A 40 3.278 -0.109 -12.918 1.00 2.85 H new ATOM 0 HH21 ARG A 40 1.838 2.954 -13.764 1.00 3.37 H new ATOM 0 HH22 ARG A 40 2.694 1.522 -14.345 1.00 3.37 H new ATOM 644 N LYS A 41 -1.717 2.442 -7.309 1.00 0.55 N ATOM 645 CA LYS A 41 -2.005 3.851 -6.918 1.00 0.59 C ATOM 646 C LYS A 41 -1.765 4.037 -5.417 1.00 0.52 C ATOM 647 O LYS A 41 -1.316 5.081 -4.981 1.00 0.55 O ATOM 648 CB LYS A 41 -3.462 4.181 -7.247 1.00 0.71 C ATOM 649 CG LYS A 41 -3.688 5.687 -7.105 1.00 1.41 C ATOM 650 CD LYS A 41 -3.344 6.383 -8.425 1.00 2.15 C ATOM 651 CE LYS A 41 -2.830 7.794 -8.138 1.00 3.63 C ATOM 652 NZ LYS A 41 -2.064 8.291 -9.316 1.00 4.90 N ATOM 0 H LYS A 41 -2.542 1.860 -7.458 1.00 0.55 H new ATOM 0 HA LYS A 41 -1.344 4.519 -7.470 1.00 0.59 H new ATOM 0 HB2 LYS A 41 -3.698 3.861 -8.262 1.00 0.71 H new ATOM 0 HB3 LYS A 41 -4.129 3.638 -6.578 1.00 0.71 H new ATOM 0 HG2 LYS A 41 -4.726 5.886 -6.837 1.00 1.41 H new ATOM 0 HG3 LYS A 41 -3.069 6.084 -6.300 1.00 1.41 H new ATOM 0 HD2 LYS A 41 -2.588 5.812 -8.964 1.00 2.15 H new ATOM 0 HD3 LYS A 41 -4.225 6.429 -9.065 1.00 2.15 H new ATOM 0 HE2 LYS A 41 -3.665 8.461 -7.926 1.00 3.63 H new ATOM 0 HE3 LYS A 41 -2.194 7.788 -7.253 1.00 3.63 H new ATOM 0 HZ1 LYS A 41 -1.714 9.251 -9.122 1.00 4.90 H new ATOM 0 HZ2 LYS A 41 -1.259 7.659 -9.498 1.00 4.90 H new ATOM 0 HZ3 LYS A 41 -2.684 8.311 -10.150 1.00 4.90 H new ATOM 666 N ALA A 42 -2.063 3.035 -4.617 1.00 0.50 N ATOM 667 CA ALA A 42 -1.854 3.168 -3.141 1.00 0.52 C ATOM 668 C ALA A 42 -0.386 3.479 -2.849 1.00 0.55 C ATOM 669 O ALA A 42 -0.075 4.483 -2.258 1.00 0.96 O ATOM 670 CB ALA A 42 -2.241 1.870 -2.431 1.00 0.52 C ATOM 0 H ALA A 42 -2.439 2.138 -4.923 1.00 0.50 H new ATOM 0 HA ALA A 42 -2.482 3.980 -2.775 1.00 0.52 H new ATOM 0 HB1 ALA A 42 -2.084 1.981 -1.358 1.00 0.52 H new ATOM 0 HB2 ALA A 42 -3.291 1.649 -2.623 1.00 0.52 H new ATOM 0 HB3 ALA A 42 -1.624 1.053 -2.805 1.00 0.52 H new ATOM 676 N ALA A 43 0.512 2.621 -3.259 1.00 0.52 N ATOM 677 CA ALA A 43 1.966 2.855 -3.006 1.00 0.67 C ATOM 678 C ALA A 43 2.397 4.204 -3.591 1.00 0.61 C ATOM 679 O ALA A 43 3.267 4.864 -3.059 1.00 0.84 O ATOM 680 CB ALA A 43 2.778 1.731 -3.657 1.00 0.86 C ATOM 0 H ALA A 43 0.298 1.760 -3.763 1.00 0.52 H new ATOM 0 HA ALA A 43 2.144 2.866 -1.931 1.00 0.67 H new ATOM 0 HB1 ALA A 43 3.840 1.897 -3.475 1.00 0.86 H new ATOM 0 HB2 ALA A 43 2.482 0.773 -3.229 1.00 0.86 H new ATOM 0 HB3 ALA A 43 2.591 1.722 -4.731 1.00 0.86 H new ATOM 686 N SER A 44 1.802 4.618 -4.683 1.00 0.48 N ATOM 687 CA SER A 44 2.188 5.925 -5.300 1.00 0.55 C ATOM 688 C SER A 44 2.000 7.062 -4.284 1.00 0.52 C ATOM 689 O SER A 44 2.754 8.017 -4.265 1.00 0.60 O ATOM 690 CB SER A 44 1.311 6.187 -6.524 1.00 0.71 C ATOM 691 OG SER A 44 1.976 7.095 -7.393 1.00 1.45 O ATOM 0 H SER A 44 1.067 4.108 -5.173 1.00 0.48 H new ATOM 0 HA SER A 44 3.235 5.884 -5.600 1.00 0.55 H new ATOM 0 HB2 SER A 44 1.105 5.252 -7.045 1.00 0.71 H new ATOM 0 HB3 SER A 44 0.350 6.599 -6.216 1.00 0.71 H new ATOM 0 HG SER A 44 1.417 7.264 -8.180 1.00 1.45 H new ATOM 697 N VAL A 45 0.991 6.971 -3.453 1.00 0.51 N ATOM 698 CA VAL A 45 0.737 8.051 -2.450 1.00 0.60 C ATOM 699 C VAL A 45 1.466 7.769 -1.120 1.00 0.65 C ATOM 700 O VAL A 45 1.557 8.652 -0.286 1.00 0.89 O ATOM 701 CB VAL A 45 -0.785 8.177 -2.212 1.00 0.66 C ATOM 702 CG1 VAL A 45 -1.366 6.818 -1.831 1.00 0.66 C ATOM 703 CG2 VAL A 45 -1.078 9.174 -1.080 1.00 0.71 C ATOM 0 H VAL A 45 0.331 6.194 -3.426 1.00 0.51 H new ATOM 0 HA VAL A 45 1.127 8.989 -2.844 1.00 0.60 H new ATOM 0 HB VAL A 45 -1.243 8.535 -3.134 1.00 0.66 H new ATOM 0 HG11 VAL A 45 -2.439 6.915 -1.665 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -1.186 6.107 -2.637 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -0.888 6.461 -0.919 1.00 0.66 H new ATOM 0 HG21 VAL A 45 -2.155 9.247 -0.929 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -0.606 8.829 -0.160 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -0.681 10.154 -1.346 1.00 0.71 H new ATOM 713 N ILE A 46 1.976 6.573 -0.890 1.00 0.61 N ATOM 714 CA ILE A 46 2.667 6.328 0.422 1.00 0.85 C ATOM 715 C ILE A 46 4.156 6.656 0.329 1.00 0.95 C ATOM 716 O ILE A 46 4.694 7.361 1.156 1.00 1.27 O ATOM 717 CB ILE A 46 2.547 4.873 0.909 1.00 1.03 C ATOM 718 CG1 ILE A 46 1.247 4.216 0.430 1.00 1.13 C ATOM 719 CG2 ILE A 46 2.597 4.866 2.443 1.00 2.28 C ATOM 720 CD1 ILE A 46 0.031 5.005 0.924 1.00 1.81 C ATOM 0 H ILE A 46 1.945 5.781 -1.532 1.00 0.61 H new ATOM 0 HA ILE A 46 2.163 6.982 1.134 1.00 0.85 H new ATOM 0 HB ILE A 46 3.374 4.298 0.493 1.00 1.03 H new ATOM 0 HG12 ILE A 46 1.238 4.167 -0.659 1.00 1.13 H new ATOM 0 HG13 ILE A 46 1.195 3.191 0.796 1.00 1.13 H new ATOM 0 HG21 ILE A 46 2.513 3.841 2.805 1.00 2.28 H new ATOM 0 HG22 ILE A 46 3.542 5.293 2.778 1.00 2.28 H new ATOM 0 HG23 ILE A 46 1.771 5.459 2.837 1.00 2.28 H new ATOM 0 HD11 ILE A 46 -0.882 4.523 0.574 1.00 1.81 H new ATOM 0 HD12 ILE A 46 0.033 5.031 2.014 1.00 1.81 H new ATOM 0 HD13 ILE A 46 0.076 6.023 0.536 1.00 1.81 H new ATOM 732 N ALA A 47 4.831 6.114 -0.648 1.00 0.77 N ATOM 733 CA ALA A 47 6.298 6.354 -0.781 1.00 0.88 C ATOM 734 C ALA A 47 6.589 7.853 -0.902 1.00 0.94 C ATOM 735 O ALA A 47 7.658 8.310 -0.544 1.00 1.19 O ATOM 736 CB ALA A 47 6.813 5.623 -2.017 1.00 0.79 C ATOM 0 H ALA A 47 4.427 5.511 -1.365 1.00 0.77 H new ATOM 0 HA ALA A 47 6.804 5.978 0.108 1.00 0.88 H new ATOM 0 HB1 ALA A 47 7.885 5.794 -2.121 1.00 0.79 H new ATOM 0 HB2 ALA A 47 6.624 4.555 -1.913 1.00 0.79 H new ATOM 0 HB3 ALA A 47 6.299 5.998 -2.902 1.00 0.79 H new ATOM 742 N LYS A 48 5.648 8.624 -1.391 1.00 0.85 N ATOM 743 CA LYS A 48 5.879 10.094 -1.516 1.00 1.07 C ATOM 744 C LYS A 48 5.701 10.745 -0.140 1.00 1.34 C ATOM 745 O LYS A 48 6.333 11.735 0.174 1.00 1.72 O ATOM 746 CB LYS A 48 4.888 10.699 -2.519 1.00 1.08 C ATOM 747 CG LYS A 48 3.449 10.406 -2.085 1.00 2.85 C ATOM 748 CD LYS A 48 2.490 11.296 -2.878 1.00 3.43 C ATOM 749 CE LYS A 48 2.548 12.723 -2.331 1.00 4.37 C ATOM 750 NZ LYS A 48 2.248 13.685 -3.429 1.00 4.79 N ATOM 0 H LYS A 48 4.734 8.299 -1.707 1.00 0.85 H new ATOM 0 HA LYS A 48 6.891 10.276 -1.878 1.00 1.07 H new ATOM 0 HB2 LYS A 48 5.042 11.776 -2.589 1.00 1.08 H new ATOM 0 HB3 LYS A 48 5.067 10.286 -3.512 1.00 1.08 H new ATOM 0 HG2 LYS A 48 3.213 9.356 -2.255 1.00 2.85 H new ATOM 0 HG3 LYS A 48 3.335 10.590 -1.017 1.00 2.85 H new ATOM 0 HD2 LYS A 48 2.760 11.289 -3.934 1.00 3.43 H new ATOM 0 HD3 LYS A 48 1.474 10.909 -2.806 1.00 3.43 H new ATOM 0 HE2 LYS A 48 1.829 12.843 -1.520 1.00 4.37 H new ATOM 0 HE3 LYS A 48 3.535 12.925 -1.915 1.00 4.37 H new ATOM 0 HZ1 LYS A 48 2.287 14.656 -3.060 1.00 4.79 H new ATOM 0 HZ2 LYS A 48 2.950 13.575 -4.188 1.00 4.79 H new ATOM 0 HZ3 LYS A 48 1.297 13.496 -3.806 1.00 4.79 H new ATOM 764 N TYR A 49 4.846 10.187 0.680 1.00 1.27 N ATOM 765 CA TYR A 49 4.618 10.751 2.040 1.00 1.64 C ATOM 766 C TYR A 49 5.447 9.914 3.067 1.00 1.37 C ATOM 767 O TYR A 49 5.884 8.828 2.745 1.00 1.32 O ATOM 768 CB TYR A 49 3.074 10.784 2.287 1.00 2.56 C ATOM 769 CG TYR A 49 2.606 9.967 3.476 1.00 1.38 C ATOM 770 CD1 TYR A 49 2.550 8.581 3.392 1.00 1.82 C ATOM 771 CD2 TYR A 49 2.208 10.607 4.652 1.00 2.21 C ATOM 772 CE1 TYR A 49 2.107 7.834 4.487 1.00 2.62 C ATOM 773 CE2 TYR A 49 1.765 9.869 5.743 1.00 1.53 C ATOM 774 CZ TYR A 49 1.714 8.477 5.664 1.00 1.71 C ATOM 775 OH TYR A 49 1.277 7.737 6.743 1.00 2.81 O ATOM 0 H TYR A 49 4.293 9.358 0.461 1.00 1.27 H new ATOM 0 HA TYR A 49 4.967 11.777 2.152 1.00 1.64 H new ATOM 0 HB2 TYR A 49 2.764 11.819 2.430 1.00 2.56 H new ATOM 0 HB3 TYR A 49 2.569 10.421 1.392 1.00 2.56 H new ATOM 0 HD1 TYR A 49 2.848 8.082 2.482 1.00 1.82 H new ATOM 0 HD2 TYR A 49 2.245 11.685 4.714 1.00 2.21 H new ATOM 0 HE1 TYR A 49 2.068 6.757 4.423 1.00 2.62 H new ATOM 0 HE2 TYR A 49 1.461 10.372 6.649 1.00 1.53 H new ATOM 0 HH TYR A 49 1.347 8.275 7.559 1.00 2.81 H new ATOM 785 N PRO A 50 5.686 10.463 4.252 1.00 1.47 N ATOM 786 CA PRO A 50 6.507 9.813 5.310 1.00 1.44 C ATOM 787 C PRO A 50 6.333 8.284 5.445 1.00 1.50 C ATOM 788 O PRO A 50 7.202 7.638 5.994 1.00 1.57 O ATOM 789 CB PRO A 50 6.095 10.531 6.601 1.00 1.62 C ATOM 790 CG PRO A 50 5.305 11.800 6.194 1.00 1.70 C ATOM 791 CD PRO A 50 5.158 11.780 4.663 1.00 1.83 C ATOM 0 HA PRO A 50 7.564 9.909 5.062 1.00 1.44 H new ATOM 0 HB2 PRO A 50 5.481 9.880 7.223 1.00 1.62 H new ATOM 0 HB3 PRO A 50 6.973 10.798 7.189 1.00 1.62 H new ATOM 0 HG2 PRO A 50 4.326 11.813 6.673 1.00 1.70 H new ATOM 0 HG3 PRO A 50 5.830 12.699 6.517 1.00 1.70 H new ATOM 0 HD2 PRO A 50 4.117 11.900 4.364 1.00 1.83 H new ATOM 0 HD3 PRO A 50 5.718 12.593 4.201 1.00 1.83 H new ATOM 799 N HIS A 51 5.245 7.696 4.983 1.00 1.55 N ATOM 800 CA HIS A 51 5.042 6.211 5.106 1.00 1.67 C ATOM 801 C HIS A 51 5.387 5.723 6.528 1.00 1.40 C ATOM 802 O HIS A 51 5.391 6.495 7.467 1.00 1.93 O ATOM 803 CB HIS A 51 5.879 5.469 4.038 1.00 2.12 C ATOM 804 CG HIS A 51 7.354 5.548 4.340 1.00 1.63 C ATOM 805 ND1 HIS A 51 8.170 6.523 3.789 1.00 2.45 N ATOM 806 CD2 HIS A 51 8.170 4.779 5.132 1.00 2.50 C ATOM 807 CE1 HIS A 51 9.416 6.318 4.253 1.00 2.76 C ATOM 808 NE2 HIS A 51 9.472 5.267 5.075 1.00 3.15 N ATOM 0 H HIS A 51 4.482 8.190 4.521 1.00 1.55 H new ATOM 0 HA HIS A 51 3.990 5.987 4.931 1.00 1.67 H new ATOM 0 HB2 HIS A 51 5.571 4.424 3.994 1.00 2.12 H new ATOM 0 HB3 HIS A 51 5.684 5.901 3.056 1.00 2.12 H new ATOM 0 HD2 HIS A 51 7.850 3.925 5.711 1.00 2.50 H new ATOM 0 HE1 HIS A 51 10.267 6.929 3.992 1.00 2.76 H new ATOM 0 HE2 HIS A 51 10.293 4.901 5.557 1.00 3.15 H new ATOM 816 N LYS A 52 5.670 4.451 6.691 1.00 1.17 N ATOM 817 CA LYS A 52 6.007 3.913 8.048 1.00 1.23 C ATOM 818 C LYS A 52 4.910 4.296 9.054 1.00 1.05 C ATOM 819 O LYS A 52 5.091 5.172 9.880 1.00 1.82 O ATOM 820 CB LYS A 52 7.350 4.493 8.508 1.00 1.75 C ATOM 821 CG LYS A 52 7.822 3.776 9.784 1.00 1.90 C ATOM 822 CD LYS A 52 7.873 4.766 10.951 1.00 2.44 C ATOM 823 CE LYS A 52 9.250 5.430 10.998 1.00 3.60 C ATOM 824 NZ LYS A 52 9.132 6.771 11.639 1.00 4.56 N ATOM 0 H LYS A 52 5.682 3.761 5.940 1.00 1.17 H new ATOM 0 HA LYS A 52 6.076 2.827 7.994 1.00 1.23 H new ATOM 0 HB2 LYS A 52 8.094 4.378 7.720 1.00 1.75 H new ATOM 0 HB3 LYS A 52 7.248 5.562 8.698 1.00 1.75 H new ATOM 0 HG2 LYS A 52 7.145 2.955 10.022 1.00 1.90 H new ATOM 0 HG3 LYS A 52 8.808 3.340 9.623 1.00 1.90 H new ATOM 0 HD2 LYS A 52 7.097 5.522 10.834 1.00 2.44 H new ATOM 0 HD3 LYS A 52 7.675 4.248 11.890 1.00 2.44 H new ATOM 0 HE2 LYS A 52 9.947 4.807 11.558 1.00 3.60 H new ATOM 0 HE3 LYS A 52 9.652 5.531 9.990 1.00 3.60 H new ATOM 0 HZ1 LYS A 52 10.068 7.224 11.672 1.00 4.56 H new ATOM 0 HZ2 LYS A 52 8.480 7.364 11.087 1.00 4.56 H new ATOM 0 HZ3 LYS A 52 8.766 6.662 12.606 1.00 4.56 H new ATOM 838 N ILE A 53 3.774 3.649 8.984 1.00 1.18 N ATOM 839 CA ILE A 53 2.661 3.977 9.927 1.00 1.36 C ATOM 840 C ILE A 53 2.470 2.831 10.924 1.00 1.65 C ATOM 841 O ILE A 53 2.263 1.696 10.545 1.00 1.91 O ATOM 842 CB ILE A 53 1.365 4.194 9.135 1.00 1.43 C ATOM 843 CG1 ILE A 53 1.036 2.938 8.302 1.00 1.92 C ATOM 844 CG2 ILE A 53 1.542 5.397 8.204 1.00 1.60 C ATOM 845 CD1 ILE A 53 -0.284 2.330 8.782 1.00 2.68 C ATOM 0 H ILE A 53 3.569 2.907 8.314 1.00 1.18 H new ATOM 0 HA ILE A 53 2.909 4.887 10.473 1.00 1.36 H new ATOM 0 HB ILE A 53 0.545 4.381 9.828 1.00 1.43 H new ATOM 0 HG12 ILE A 53 0.964 3.199 7.246 1.00 1.92 H new ATOM 0 HG13 ILE A 53 1.839 2.207 8.396 1.00 1.92 H new ATOM 0 HG21 ILE A 53 0.624 5.557 7.638 1.00 1.60 H new ATOM 0 HG22 ILE A 53 1.763 6.285 8.796 1.00 1.60 H new ATOM 0 HG23 ILE A 53 2.365 5.206 7.515 1.00 1.60 H new ATOM 0 HD11 ILE A 53 -0.512 1.443 8.191 1.00 2.68 H new ATOM 0 HD12 ILE A 53 -0.196 2.053 9.833 1.00 2.68 H new ATOM 0 HD13 ILE A 53 -1.085 3.060 8.665 1.00 2.68 H new ATOM 857 N LYS A 54 2.539 3.127 12.197 1.00 1.92 N ATOM 858 CA LYS A 54 2.362 2.062 13.229 1.00 2.35 C ATOM 859 C LYS A 54 0.881 1.956 13.618 1.00 2.14 C ATOM 860 O LYS A 54 0.420 0.913 14.045 1.00 2.55 O ATOM 861 CB LYS A 54 3.202 2.413 14.469 1.00 3.07 C ATOM 862 CG LYS A 54 4.067 1.213 14.868 1.00 4.41 C ATOM 863 CD LYS A 54 3.229 0.225 15.682 1.00 5.57 C ATOM 864 CE LYS A 54 3.987 -1.097 15.820 1.00 7.37 C ATOM 865 NZ LYS A 54 4.111 -1.739 14.481 1.00 8.78 N ATOM 0 H LYS A 54 2.711 4.062 12.566 1.00 1.92 H new ATOM 0 HA LYS A 54 2.692 1.105 12.825 1.00 2.35 H new ATOM 0 HB2 LYS A 54 3.835 3.275 14.258 1.00 3.07 H new ATOM 0 HB3 LYS A 54 2.548 2.692 15.295 1.00 3.07 H new ATOM 0 HG2 LYS A 54 4.461 0.724 13.977 1.00 4.41 H new ATOM 0 HG3 LYS A 54 4.923 1.548 15.453 1.00 4.41 H new ATOM 0 HD2 LYS A 54 3.016 0.639 16.668 1.00 5.57 H new ATOM 0 HD3 LYS A 54 2.270 0.057 15.193 1.00 5.57 H new ATOM 0 HE2 LYS A 54 4.976 -0.919 16.243 1.00 7.37 H new ATOM 0 HE3 LYS A 54 3.461 -1.761 16.506 1.00 7.37 H new ATOM 0 HZ1 LYS A 54 3.740 -2.710 14.526 1.00 8.78 H new ATOM 0 HZ2 LYS A 54 3.568 -1.193 13.782 1.00 8.78 H new ATOM 0 HZ3 LYS A 54 5.112 -1.764 14.199 1.00 8.78 H new ATOM 879 N SER A 55 0.137 3.027 13.482 1.00 1.91 N ATOM 880 CA SER A 55 -1.311 2.993 13.851 1.00 2.01 C ATOM 881 C SER A 55 -2.121 2.327 12.730 1.00 1.87 C ATOM 882 O SER A 55 -2.469 1.164 12.818 1.00 2.96 O ATOM 883 CB SER A 55 -1.812 4.422 14.075 1.00 2.27 C ATOM 884 OG SER A 55 -1.272 4.923 15.291 1.00 3.38 O ATOM 0 H SER A 55 0.472 3.924 13.131 1.00 1.91 H new ATOM 0 HA SER A 55 -1.437 2.417 14.768 1.00 2.01 H new ATOM 0 HB2 SER A 55 -1.515 5.059 13.242 1.00 2.27 H new ATOM 0 HB3 SER A 55 -2.901 4.436 14.114 1.00 2.27 H new ATOM 0 HG SER A 55 -1.589 5.839 15.437 1.00 3.38 H new ATOM 890 N GLY A 56 -2.424 3.054 11.683 1.00 1.59 N ATOM 891 CA GLY A 56 -3.214 2.469 10.559 1.00 1.47 C ATOM 892 C GLY A 56 -4.086 3.556 9.928 1.00 1.26 C ATOM 893 O GLY A 56 -4.219 3.634 8.721 1.00 1.45 O ATOM 0 H GLY A 56 -2.157 4.031 11.559 1.00 1.59 H new ATOM 0 HA2 GLY A 56 -2.544 2.046 9.811 1.00 1.47 H new ATOM 0 HA3 GLY A 56 -3.838 1.654 10.925 1.00 1.47 H new ATOM 897 N ALA A 57 -4.677 4.396 10.739 1.00 1.14 N ATOM 898 CA ALA A 57 -5.543 5.489 10.201 1.00 1.10 C ATOM 899 C ALA A 57 -4.720 6.416 9.292 1.00 0.99 C ATOM 900 O ALA A 57 -5.268 7.157 8.496 1.00 0.99 O ATOM 901 CB ALA A 57 -6.116 6.298 11.365 1.00 1.24 C ATOM 0 H ALA A 57 -4.597 4.372 11.756 1.00 1.14 H new ATOM 0 HA ALA A 57 -6.354 5.050 9.620 1.00 1.10 H new ATOM 0 HB1 ALA A 57 -6.748 7.096 10.977 1.00 1.24 H new ATOM 0 HB2 ALA A 57 -6.709 5.645 12.005 1.00 1.24 H new ATOM 0 HB3 ALA A 57 -5.300 6.731 11.944 1.00 1.24 H new ATOM 907 N GLU A 58 -3.412 6.386 9.408 1.00 0.97 N ATOM 908 CA GLU A 58 -2.556 7.266 8.556 1.00 0.96 C ATOM 909 C GLU A 58 -2.821 6.982 7.072 1.00 0.83 C ATOM 910 O GLU A 58 -3.084 7.883 6.301 1.00 0.83 O ATOM 911 CB GLU A 58 -1.085 6.997 8.873 1.00 1.07 C ATOM 912 CG GLU A 58 -0.712 7.690 10.185 1.00 1.74 C ATOM 913 CD GLU A 58 0.765 8.088 10.152 1.00 2.34 C ATOM 914 OE1 GLU A 58 1.094 9.002 9.415 1.00 3.02 O ATOM 915 OE2 GLU A 58 1.541 7.472 10.864 1.00 3.31 O ATOM 0 H GLU A 58 -2.902 5.788 10.058 1.00 0.97 H new ATOM 0 HA GLU A 58 -2.794 8.309 8.764 1.00 0.96 H new ATOM 0 HB2 GLU A 58 -0.909 5.924 8.953 1.00 1.07 H new ATOM 0 HB3 GLU A 58 -0.454 7.364 8.063 1.00 1.07 H new ATOM 0 HG2 GLU A 58 -1.334 8.573 10.331 1.00 1.74 H new ATOM 0 HG3 GLU A 58 -0.901 7.024 11.027 1.00 1.74 H new ATOM 922 N ALA A 59 -2.759 5.736 6.669 1.00 0.90 N ATOM 923 CA ALA A 59 -3.013 5.392 5.234 1.00 0.89 C ATOM 924 C ALA A 59 -4.406 5.880 4.817 1.00 0.89 C ATOM 925 O ALA A 59 -4.666 6.110 3.650 1.00 0.92 O ATOM 926 CB ALA A 59 -2.929 3.875 5.053 1.00 1.07 C ATOM 0 H ALA A 59 -2.543 4.942 7.272 1.00 0.90 H new ATOM 0 HA ALA A 59 -2.263 5.879 4.611 1.00 0.89 H new ATOM 0 HB1 ALA A 59 -3.114 3.622 4.009 1.00 1.07 H new ATOM 0 HB2 ALA A 59 -1.936 3.529 5.340 1.00 1.07 H new ATOM 0 HB3 ALA A 59 -3.677 3.392 5.681 1.00 1.07 H new ATOM 932 N LYS A 60 -5.300 6.041 5.761 1.00 0.96 N ATOM 933 CA LYS A 60 -6.673 6.515 5.427 1.00 1.07 C ATOM 934 C LYS A 60 -6.608 7.950 4.897 1.00 0.97 C ATOM 935 O LYS A 60 -7.225 8.276 3.900 1.00 1.06 O ATOM 936 CB LYS A 60 -7.546 6.474 6.683 1.00 1.31 C ATOM 937 CG LYS A 60 -8.997 6.192 6.288 1.00 1.49 C ATOM 938 CD LYS A 60 -9.938 6.813 7.322 1.00 2.25 C ATOM 939 CE LYS A 60 -10.217 5.798 8.433 1.00 2.83 C ATOM 940 NZ LYS A 60 -11.069 6.430 9.480 1.00 3.80 N ATOM 0 H LYS A 60 -5.134 5.863 6.752 1.00 0.96 H new ATOM 0 HA LYS A 60 -7.103 5.867 4.663 1.00 1.07 H new ATOM 0 HB2 LYS A 60 -7.187 5.702 7.363 1.00 1.31 H new ATOM 0 HB3 LYS A 60 -7.481 7.423 7.215 1.00 1.31 H new ATOM 0 HG2 LYS A 60 -9.203 6.604 5.300 1.00 1.49 H new ATOM 0 HG3 LYS A 60 -9.166 5.117 6.227 1.00 1.49 H new ATOM 0 HD2 LYS A 60 -9.491 7.714 7.742 1.00 2.25 H new ATOM 0 HD3 LYS A 60 -10.872 7.113 6.846 1.00 2.25 H new ATOM 0 HE2 LYS A 60 -10.717 4.921 8.022 1.00 2.83 H new ATOM 0 HE3 LYS A 60 -9.280 5.454 8.870 1.00 2.83 H new ATOM 0 HZ1 LYS A 60 -11.259 5.741 10.235 1.00 3.80 H new ATOM 0 HZ2 LYS A 60 -10.575 7.254 9.879 1.00 3.80 H new ATOM 0 HZ3 LYS A 60 -11.968 6.737 9.057 1.00 3.80 H new ATOM 954 N LYS A 61 -5.872 8.813 5.558 1.00 0.91 N ATOM 955 CA LYS A 61 -5.779 10.229 5.089 1.00 0.94 C ATOM 956 C LYS A 61 -5.131 10.266 3.696 1.00 0.85 C ATOM 957 O LYS A 61 -5.433 11.120 2.884 1.00 0.94 O ATOM 958 CB LYS A 61 -4.971 11.071 6.105 1.00 1.03 C ATOM 959 CG LYS A 61 -3.455 10.854 5.948 1.00 1.38 C ATOM 960 CD LYS A 61 -2.786 10.852 7.323 1.00 2.13 C ATOM 961 CE LYS A 61 -1.283 10.622 7.156 1.00 3.08 C ATOM 962 NZ LYS A 61 -0.565 11.182 8.336 1.00 4.12 N ATOM 0 H LYS A 61 -5.335 8.597 6.398 1.00 0.91 H new ATOM 0 HA LYS A 61 -6.778 10.659 5.016 1.00 0.94 H new ATOM 0 HB2 LYS A 61 -5.203 12.127 5.968 1.00 1.03 H new ATOM 0 HB3 LYS A 61 -5.273 10.807 7.118 1.00 1.03 H new ATOM 0 HG2 LYS A 61 -3.265 9.909 5.440 1.00 1.38 H new ATOM 0 HG3 LYS A 61 -3.028 11.642 5.327 1.00 1.38 H new ATOM 0 HD2 LYS A 61 -2.966 11.801 7.829 1.00 2.13 H new ATOM 0 HD3 LYS A 61 -3.217 10.071 7.949 1.00 2.13 H new ATOM 0 HE2 LYS A 61 -1.075 9.556 7.061 1.00 3.08 H new ATOM 0 HE3 LYS A 61 -0.930 11.098 6.241 1.00 3.08 H new ATOM 0 HZ1 LYS A 61 0.037 11.974 8.032 1.00 4.12 H new ATOM 0 HZ2 LYS A 61 -1.257 11.521 9.035 1.00 4.12 H new ATOM 0 HZ3 LYS A 61 0.027 10.442 8.766 1.00 4.12 H new ATOM 976 N LEU A 62 -4.244 9.341 3.421 1.00 0.79 N ATOM 977 CA LEU A 62 -3.568 9.308 2.090 1.00 0.83 C ATOM 978 C LEU A 62 -4.634 9.117 0.986 1.00 0.97 C ATOM 979 O LEU A 62 -5.241 8.067 0.919 1.00 1.22 O ATOM 980 CB LEU A 62 -2.583 8.134 2.048 1.00 0.92 C ATOM 981 CG LEU A 62 -1.561 8.258 3.185 1.00 0.98 C ATOM 982 CD1 LEU A 62 -0.638 7.041 3.171 1.00 1.19 C ATOM 983 CD2 LEU A 62 -0.720 9.523 2.998 1.00 1.01 C ATOM 0 H LEU A 62 -3.959 8.604 4.066 1.00 0.79 H new ATOM 0 HA LEU A 62 -3.030 10.242 1.928 1.00 0.83 H new ATOM 0 HB2 LEU A 62 -3.125 7.192 2.137 1.00 0.92 H new ATOM 0 HB3 LEU A 62 -2.068 8.116 1.087 1.00 0.92 H new ATOM 0 HG LEU A 62 -2.092 8.314 4.135 1.00 0.98 H new ATOM 0 HD11 LEU A 62 0.089 7.127 3.978 1.00 1.19 H new ATOM 0 HD12 LEU A 62 -1.228 6.135 3.309 1.00 1.19 H new ATOM 0 HD13 LEU A 62 -0.116 6.992 2.216 1.00 1.19 H new ATOM 0 HD21 LEU A 62 0.003 9.603 3.810 1.00 1.01 H new ATOM 0 HD22 LEU A 62 -0.192 9.471 2.046 1.00 1.01 H new ATOM 0 HD23 LEU A 62 -1.371 10.397 3.005 1.00 1.01 H new ATOM 995 N PRO A 63 -4.856 10.125 0.149 1.00 1.02 N ATOM 996 CA PRO A 63 -5.867 10.017 -0.922 1.00 1.25 C ATOM 997 C PRO A 63 -5.507 8.886 -1.890 1.00 1.41 C ATOM 998 O PRO A 63 -4.431 8.865 -2.458 1.00 2.34 O ATOM 999 CB PRO A 63 -5.835 11.376 -1.641 1.00 1.43 C ATOM 1000 CG PRO A 63 -4.752 12.246 -0.958 1.00 1.47 C ATOM 1001 CD PRO A 63 -4.143 11.424 0.186 1.00 1.16 C ATOM 0 HA PRO A 63 -6.857 9.787 -0.528 1.00 1.25 H new ATOM 0 HB2 PRO A 63 -5.608 11.243 -2.699 1.00 1.43 H new ATOM 0 HB3 PRO A 63 -6.809 11.862 -1.583 1.00 1.43 H new ATOM 0 HG2 PRO A 63 -3.982 12.531 -1.675 1.00 1.47 H new ATOM 0 HG3 PRO A 63 -5.188 13.169 -0.575 1.00 1.47 H new ATOM 0 HD2 PRO A 63 -3.070 11.289 0.047 1.00 1.16 H new ATOM 0 HD3 PRO A 63 -4.280 11.922 1.146 1.00 1.16 H new ATOM 1009 N GLY A 64 -6.405 7.953 -2.086 1.00 1.57 N ATOM 1010 CA GLY A 64 -6.125 6.826 -3.026 1.00 1.81 C ATOM 1011 C GLY A 64 -6.077 5.497 -2.266 1.00 1.60 C ATOM 1012 O GLY A 64 -6.257 4.442 -2.846 1.00 1.82 O ATOM 0 H GLY A 64 -7.320 7.924 -1.635 1.00 1.57 H new ATOM 0 HA2 GLY A 64 -6.897 6.785 -3.795 1.00 1.81 H new ATOM 0 HA3 GLY A 64 -5.176 6.996 -3.535 1.00 1.81 H new ATOM 1016 N VAL A 65 -5.827 5.531 -0.979 1.00 1.46 N ATOM 1017 CA VAL A 65 -5.758 4.256 -0.194 1.00 1.56 C ATOM 1018 C VAL A 65 -6.708 4.354 1.002 1.00 1.84 C ATOM 1019 O VAL A 65 -6.370 4.912 2.028 1.00 2.56 O ATOM 1020 CB VAL A 65 -4.322 3.987 0.321 1.00 1.50 C ATOM 1021 CG1 VAL A 65 -4.038 2.484 0.264 1.00 1.60 C ATOM 1022 CG2 VAL A 65 -3.270 4.716 -0.535 1.00 1.60 C ATOM 0 H VAL A 65 -5.668 6.382 -0.439 1.00 1.46 H new ATOM 0 HA VAL A 65 -6.047 3.434 -0.849 1.00 1.56 H new ATOM 0 HB VAL A 65 -4.258 4.357 1.344 1.00 1.50 H new ATOM 0 HG11 VAL A 65 -3.028 2.291 0.626 1.00 1.60 H new ATOM 0 HG12 VAL A 65 -4.756 1.954 0.890 1.00 1.60 H new ATOM 0 HG13 VAL A 65 -4.128 2.136 -0.765 1.00 1.60 H new ATOM 0 HG21 VAL A 65 -2.274 4.505 -0.145 1.00 1.60 H new ATOM 0 HG22 VAL A 65 -3.337 4.370 -1.566 1.00 1.60 H new ATOM 0 HG23 VAL A 65 -3.453 5.790 -0.500 1.00 1.60 H new ATOM 1032 N GLY A 66 -7.896 3.816 0.874 1.00 1.77 N ATOM 1033 CA GLY A 66 -8.875 3.876 2.001 1.00 2.23 C ATOM 1034 C GLY A 66 -10.112 3.045 1.656 1.00 1.94 C ATOM 1035 O GLY A 66 -11.232 3.501 1.788 1.00 3.24 O ATOM 0 H GLY A 66 -8.229 3.338 0.037 1.00 1.77 H new ATOM 0 HA2 GLY A 66 -8.415 3.499 2.915 1.00 2.23 H new ATOM 0 HA3 GLY A 66 -9.162 4.910 2.191 1.00 2.23 H new ATOM 1039 N THR A 67 -9.914 1.827 1.216 1.00 1.28 N ATOM 1040 CA THR A 67 -11.074 0.956 0.862 1.00 1.65 C ATOM 1041 C THR A 67 -10.655 -0.511 0.960 1.00 1.45 C ATOM 1042 O THR A 67 -11.264 -1.294 1.666 1.00 2.55 O ATOM 1043 CB THR A 67 -11.525 1.262 -0.568 1.00 2.45 C ATOM 1044 OG1 THR A 67 -11.366 2.651 -0.825 1.00 2.96 O ATOM 1045 CG2 THR A 67 -12.995 0.875 -0.734 1.00 3.41 C ATOM 0 H THR A 67 -8.997 1.399 1.087 1.00 1.28 H new ATOM 0 HA THR A 67 -11.897 1.148 1.551 1.00 1.65 H new ATOM 0 HB THR A 67 -10.920 0.690 -1.272 1.00 2.45 H new ATOM 0 HG1 THR A 67 -11.653 2.849 -1.741 1.00 2.96 H new ATOM 0 HG21 THR A 67 -13.316 1.093 -1.753 1.00 3.41 H new ATOM 0 HG22 THR A 67 -13.115 -0.190 -0.536 1.00 3.41 H new ATOM 0 HG23 THR A 67 -13.603 1.446 -0.032 1.00 3.41 H new ATOM 1053 N LYS A 68 -9.617 -0.886 0.257 1.00 1.23 N ATOM 1054 CA LYS A 68 -9.147 -2.302 0.301 1.00 1.02 C ATOM 1055 C LYS A 68 -7.626 -2.328 0.468 1.00 0.90 C ATOM 1056 O LYS A 68 -7.096 -3.081 1.264 1.00 0.95 O ATOM 1057 CB LYS A 68 -9.534 -3.009 -1.000 1.00 1.27 C ATOM 1058 CG LYS A 68 -9.779 -4.498 -0.725 1.00 1.90 C ATOM 1059 CD LYS A 68 -11.020 -4.968 -1.490 1.00 2.18 C ATOM 1060 CE LYS A 68 -11.570 -6.238 -0.837 1.00 3.07 C ATOM 1061 NZ LYS A 68 -13.028 -6.352 -1.122 1.00 3.96 N ATOM 0 H LYS A 68 -9.073 -0.270 -0.347 1.00 1.23 H new ATOM 0 HA LYS A 68 -9.612 -2.815 1.143 1.00 1.02 H new ATOM 0 HB2 LYS A 68 -10.431 -2.554 -1.420 1.00 1.27 H new ATOM 0 HB3 LYS A 68 -8.742 -2.891 -1.739 1.00 1.27 H new ATOM 0 HG2 LYS A 68 -8.910 -5.081 -1.029 1.00 1.90 H new ATOM 0 HG3 LYS A 68 -9.915 -4.663 0.344 1.00 1.90 H new ATOM 0 HD2 LYS A 68 -11.780 -4.186 -1.487 1.00 2.18 H new ATOM 0 HD3 LYS A 68 -10.766 -5.162 -2.532 1.00 2.18 H new ATOM 0 HE2 LYS A 68 -11.044 -7.113 -1.219 1.00 3.07 H new ATOM 0 HE3 LYS A 68 -11.400 -6.209 0.239 1.00 3.07 H new ATOM 0 HZ1 LYS A 68 -13.402 -7.215 -0.678 1.00 3.96 H new ATOM 0 HZ2 LYS A 68 -13.523 -5.522 -0.737 1.00 3.96 H new ATOM 0 HZ3 LYS A 68 -13.178 -6.398 -2.150 1.00 3.96 H new ATOM 1075 N ILE A 69 -6.923 -1.512 -0.276 1.00 0.88 N ATOM 1076 CA ILE A 69 -5.436 -1.483 -0.163 1.00 0.83 C ATOM 1077 C ILE A 69 -5.041 -0.958 1.219 1.00 0.82 C ATOM 1078 O ILE A 69 -4.006 -1.312 1.751 1.00 0.82 O ATOM 1079 CB ILE A 69 -4.852 -0.569 -1.244 1.00 0.84 C ATOM 1080 CG1 ILE A 69 -5.349 -1.024 -2.624 1.00 0.90 C ATOM 1081 CG2 ILE A 69 -3.323 -0.639 -1.201 1.00 0.97 C ATOM 1082 CD1 ILE A 69 -6.485 -0.111 -3.093 1.00 2.35 C ATOM 0 H ILE A 69 -7.317 -0.864 -0.958 1.00 0.88 H new ATOM 0 HA ILE A 69 -5.044 -2.491 -0.296 1.00 0.83 H new ATOM 0 HB ILE A 69 -5.173 0.457 -1.064 1.00 0.84 H new ATOM 0 HG12 ILE A 69 -4.530 -0.999 -3.342 1.00 0.90 H new ATOM 0 HG13 ILE A 69 -5.697 -2.056 -2.573 1.00 0.90 H new ATOM 0 HG21 ILE A 69 -2.907 0.012 -1.970 1.00 0.97 H new ATOM 0 HG22 ILE A 69 -2.971 -0.314 -0.222 1.00 0.97 H new ATOM 0 HG23 ILE A 69 -3.001 -1.665 -1.380 1.00 0.97 H new ATOM 0 HD11 ILE A 69 -6.834 -0.438 -4.072 1.00 2.35 H new ATOM 0 HD12 ILE A 69 -7.308 -0.159 -2.380 1.00 2.35 H new ATOM 0 HD13 ILE A 69 -6.123 0.915 -3.161 1.00 2.35 H new ATOM 1094 N ALA A 70 -5.861 -0.120 1.806 1.00 0.86 N ATOM 1095 CA ALA A 70 -5.540 0.426 3.160 1.00 0.90 C ATOM 1096 C ALA A 70 -5.418 -0.734 4.152 1.00 0.91 C ATOM 1097 O ALA A 70 -4.626 -0.694 5.075 1.00 0.91 O ATOM 1098 CB ALA A 70 -6.653 1.373 3.610 1.00 1.01 C ATOM 0 H ALA A 70 -6.739 0.209 1.405 1.00 0.86 H new ATOM 0 HA ALA A 70 -4.599 0.975 3.120 1.00 0.90 H new ATOM 0 HB1 ALA A 70 -6.416 1.769 4.597 1.00 1.01 H new ATOM 0 HB2 ALA A 70 -6.740 2.195 2.900 1.00 1.01 H new ATOM 0 HB3 ALA A 70 -7.597 0.830 3.654 1.00 1.01 H new ATOM 1104 N GLU A 71 -6.187 -1.775 3.949 1.00 0.96 N ATOM 1105 CA GLU A 71 -6.112 -2.953 4.857 1.00 1.01 C ATOM 1106 C GLU A 71 -4.779 -3.661 4.620 1.00 0.99 C ATOM 1107 O GLU A 71 -4.163 -4.176 5.535 1.00 0.99 O ATOM 1108 CB GLU A 71 -7.265 -3.913 4.553 1.00 1.14 C ATOM 1109 CG GLU A 71 -7.682 -4.634 5.836 1.00 1.33 C ATOM 1110 CD GLU A 71 -8.619 -5.792 5.491 1.00 1.91 C ATOM 1111 OE1 GLU A 71 -9.460 -5.609 4.627 1.00 2.70 O ATOM 1112 OE2 GLU A 71 -8.479 -6.841 6.096 1.00 2.83 O ATOM 0 H GLU A 71 -6.864 -1.857 3.191 1.00 0.96 H new ATOM 0 HA GLU A 71 -6.186 -2.630 5.895 1.00 1.01 H new ATOM 0 HB2 GLU A 71 -8.111 -3.363 4.141 1.00 1.14 H new ATOM 0 HB3 GLU A 71 -6.959 -4.638 3.799 1.00 1.14 H new ATOM 0 HG2 GLU A 71 -6.801 -5.008 6.358 1.00 1.33 H new ATOM 0 HG3 GLU A 71 -8.180 -3.938 6.511 1.00 1.33 H new ATOM 1119 N LYS A 72 -4.323 -3.671 3.391 1.00 1.04 N ATOM 1120 CA LYS A 72 -3.021 -4.325 3.072 1.00 1.11 C ATOM 1121 C LYS A 72 -1.900 -3.595 3.818 1.00 0.94 C ATOM 1122 O LYS A 72 -0.895 -4.181 4.173 1.00 1.08 O ATOM 1123 CB LYS A 72 -2.767 -4.249 1.565 1.00 1.24 C ATOM 1124 CG LYS A 72 -3.906 -4.945 0.820 1.00 2.29 C ATOM 1125 CD LYS A 72 -3.754 -6.462 0.958 1.00 1.72 C ATOM 1126 CE LYS A 72 -2.875 -6.993 -0.174 1.00 2.04 C ATOM 1127 NZ LYS A 72 -3.064 -8.465 -0.305 1.00 2.36 N ATOM 0 H LYS A 72 -4.801 -3.252 2.593 1.00 1.04 H new ATOM 0 HA LYS A 72 -3.048 -5.370 3.380 1.00 1.11 H new ATOM 0 HB2 LYS A 72 -2.695 -3.208 1.250 1.00 1.24 H new ATOM 0 HB3 LYS A 72 -1.816 -4.723 1.321 1.00 1.24 H new ATOM 0 HG2 LYS A 72 -4.867 -4.627 1.224 1.00 2.29 H new ATOM 0 HG3 LYS A 72 -3.893 -4.662 -0.232 1.00 2.29 H new ATOM 0 HD2 LYS A 72 -3.310 -6.707 1.923 1.00 1.72 H new ATOM 0 HD3 LYS A 72 -4.733 -6.940 0.927 1.00 1.72 H new ATOM 0 HE2 LYS A 72 -3.132 -6.498 -1.111 1.00 2.04 H new ATOM 0 HE3 LYS A 72 -1.828 -6.767 0.028 1.00 2.04 H new ATOM 0 HZ1 LYS A 72 -2.465 -8.825 -1.076 1.00 2.36 H new ATOM 0 HZ2 LYS A 72 -2.798 -8.930 0.586 1.00 2.36 H new ATOM 0 HZ3 LYS A 72 -4.061 -8.669 -0.517 1.00 2.36 H new ATOM 1141 N ILE A 73 -2.078 -2.320 4.070 1.00 0.74 N ATOM 1142 CA ILE A 73 -1.036 -1.547 4.810 1.00 0.62 C ATOM 1143 C ILE A 73 -0.972 -2.096 6.236 1.00 0.67 C ATOM 1144 O ILE A 73 0.091 -2.393 6.766 1.00 0.90 O ATOM 1145 CB ILE A 73 -1.407 -0.054 4.838 1.00 0.60 C ATOM 1146 CG1 ILE A 73 -1.813 0.436 3.434 1.00 0.91 C ATOM 1147 CG2 ILE A 73 -0.205 0.759 5.316 1.00 0.61 C ATOM 1148 CD1 ILE A 73 -0.684 0.176 2.430 1.00 0.81 C ATOM 0 H ILE A 73 -2.900 -1.783 3.794 1.00 0.74 H new ATOM 0 HA ILE A 73 -0.068 -1.648 4.319 1.00 0.62 H new ATOM 0 HB ILE A 73 -2.249 0.079 5.517 1.00 0.60 H new ATOM 0 HG12 ILE A 73 -2.720 -0.075 3.112 1.00 0.91 H new ATOM 0 HG13 ILE A 73 -2.042 1.501 3.466 1.00 0.91 H new ATOM 0 HG21 ILE A 73 -0.466 1.817 5.336 1.00 0.61 H new ATOM 0 HG22 ILE A 73 0.078 0.436 6.318 1.00 0.61 H new ATOM 0 HG23 ILE A 73 0.632 0.605 4.635 1.00 0.61 H new ATOM 0 HD11 ILE A 73 -0.986 0.528 1.444 1.00 0.81 H new ATOM 0 HD12 ILE A 73 0.213 0.708 2.746 1.00 0.81 H new ATOM 0 HD13 ILE A 73 -0.475 -0.893 2.386 1.00 0.81 H new ATOM 1160 N ASP A 74 -2.118 -2.264 6.847 1.00 0.69 N ATOM 1161 CA ASP A 74 -2.166 -2.823 8.226 1.00 0.84 C ATOM 1162 C ASP A 74 -1.589 -4.246 8.225 1.00 1.00 C ATOM 1163 O ASP A 74 -1.248 -4.776 9.263 1.00 1.23 O ATOM 1164 CB ASP A 74 -3.617 -2.861 8.710 1.00 0.94 C ATOM 1165 CG ASP A 74 -3.937 -1.570 9.465 1.00 1.49 C ATOM 1166 OD1 ASP A 74 -3.501 -1.444 10.597 1.00 2.02 O ATOM 1167 OD2 ASP A 74 -4.613 -0.728 8.897 1.00 2.75 O ATOM 0 H ASP A 74 -3.027 -2.035 6.444 1.00 0.69 H new ATOM 0 HA ASP A 74 -1.576 -2.194 8.893 1.00 0.84 H new ATOM 0 HB2 ASP A 74 -4.292 -2.975 7.862 1.00 0.94 H new ATOM 0 HB3 ASP A 74 -3.773 -3.723 9.359 1.00 0.94 H new ATOM 1172 N GLU A 75 -1.480 -4.870 7.070 1.00 1.02 N ATOM 1173 CA GLU A 75 -0.920 -6.250 7.006 1.00 1.24 C ATOM 1174 C GLU A 75 0.610 -6.174 6.975 1.00 1.48 C ATOM 1175 O GLU A 75 1.290 -7.035 7.500 1.00 1.76 O ATOM 1176 CB GLU A 75 -1.423 -6.947 5.740 1.00 1.33 C ATOM 1177 CG GLU A 75 -2.721 -7.694 6.049 1.00 1.97 C ATOM 1178 CD GLU A 75 -3.426 -8.057 4.740 1.00 3.11 C ATOM 1179 OE1 GLU A 75 -2.739 -8.424 3.802 1.00 3.59 O ATOM 1180 OE2 GLU A 75 -4.641 -7.962 4.701 1.00 4.28 O ATOM 0 H GLU A 75 -1.757 -4.476 6.171 1.00 1.02 H new ATOM 0 HA GLU A 75 -1.240 -6.815 7.881 1.00 1.24 H new ATOM 0 HB2 GLU A 75 -1.592 -6.214 4.951 1.00 1.33 H new ATOM 0 HB3 GLU A 75 -0.669 -7.643 5.372 1.00 1.33 H new ATOM 0 HG2 GLU A 75 -2.506 -8.597 6.621 1.00 1.97 H new ATOM 0 HG3 GLU A 75 -3.372 -7.074 6.665 1.00 1.97 H new ATOM 1187 N PHE A 76 1.156 -5.144 6.367 1.00 1.41 N ATOM 1188 CA PHE A 76 2.646 -5.003 6.308 1.00 1.67 C ATOM 1189 C PHE A 76 3.204 -4.934 7.713 1.00 1.71 C ATOM 1190 O PHE A 76 4.270 -5.446 8.004 1.00 2.15 O ATOM 1191 CB PHE A 76 3.036 -3.712 5.572 1.00 1.59 C ATOM 1192 CG PHE A 76 2.378 -3.610 4.206 1.00 1.67 C ATOM 1193 CD1 PHE A 76 1.973 -4.755 3.499 1.00 2.17 C ATOM 1194 CD2 PHE A 76 2.189 -2.344 3.642 1.00 2.73 C ATOM 1195 CE1 PHE A 76 1.380 -4.625 2.238 1.00 2.43 C ATOM 1196 CE2 PHE A 76 1.599 -2.215 2.381 1.00 3.03 C ATOM 1197 CZ PHE A 76 1.194 -3.356 1.678 1.00 2.38 C ATOM 0 H PHE A 76 0.633 -4.397 5.910 1.00 1.41 H new ATOM 0 HA PHE A 76 3.051 -5.864 5.776 1.00 1.67 H new ATOM 0 HB2 PHE A 76 2.751 -2.851 6.176 1.00 1.59 H new ATOM 0 HB3 PHE A 76 4.119 -3.675 5.456 1.00 1.59 H new ATOM 0 HD1 PHE A 76 2.119 -5.735 3.929 1.00 2.17 H new ATOM 0 HD2 PHE A 76 2.500 -1.462 4.183 1.00 2.73 H new ATOM 0 HE1 PHE A 76 1.066 -5.505 1.696 1.00 2.43 H new ATOM 0 HE2 PHE A 76 1.456 -1.235 1.949 1.00 3.03 H new ATOM 0 HZ PHE A 76 0.738 -3.257 0.704 1.00 2.38 H new ATOM 1207 N LEU A 77 2.500 -4.272 8.572 1.00 1.51 N ATOM 1208 CA LEU A 77 2.976 -4.112 9.970 1.00 1.92 C ATOM 1209 C LEU A 77 2.434 -5.255 10.830 1.00 2.49 C ATOM 1210 O LEU A 77 3.064 -5.685 11.777 1.00 3.66 O ATOM 1211 CB LEU A 77 2.492 -2.760 10.494 1.00 1.90 C ATOM 1212 CG LEU A 77 2.812 -1.664 9.460 1.00 1.52 C ATOM 1213 CD1 LEU A 77 1.644 -0.690 9.364 1.00 2.24 C ATOM 1214 CD2 LEU A 77 4.079 -0.924 9.874 1.00 2.01 C ATOM 0 H LEU A 77 1.605 -3.828 8.368 1.00 1.51 H new ATOM 0 HA LEU A 77 4.065 -4.144 10.010 1.00 1.92 H new ATOM 0 HB2 LEU A 77 1.419 -2.794 10.683 1.00 1.90 H new ATOM 0 HB3 LEU A 77 2.976 -2.532 11.444 1.00 1.90 H new ATOM 0 HG LEU A 77 2.971 -2.122 8.484 1.00 1.52 H new ATOM 0 HD11 LEU A 77 1.875 0.084 8.632 1.00 2.24 H new ATOM 0 HD12 LEU A 77 0.747 -1.227 9.055 1.00 2.24 H new ATOM 0 HD13 LEU A 77 1.474 -0.229 10.337 1.00 2.24 H new ATOM 0 HD21 LEU A 77 4.304 -0.149 9.141 1.00 2.01 H new ATOM 0 HD22 LEU A 77 3.930 -0.466 10.852 1.00 2.01 H new ATOM 0 HD23 LEU A 77 4.911 -1.627 9.925 1.00 2.01 H new ATOM 1226 N ALA A 78 1.274 -5.753 10.495 1.00 1.94 N ATOM 1227 CA ALA A 78 0.677 -6.879 11.271 1.00 2.47 C ATOM 1228 C ALA A 78 1.093 -8.212 10.635 1.00 3.89 C ATOM 1229 O ALA A 78 0.276 -9.089 10.421 1.00 5.44 O ATOM 1230 CB ALA A 78 -0.849 -6.752 11.257 1.00 1.50 C ATOM 0 H ALA A 78 0.710 -5.425 9.711 1.00 1.94 H new ATOM 0 HA ALA A 78 1.032 -6.845 12.301 1.00 2.47 H new ATOM 0 HB1 ALA A 78 -1.288 -7.574 11.823 1.00 1.50 H new ATOM 0 HB2 ALA A 78 -1.139 -5.804 11.709 1.00 1.50 H new ATOM 0 HB3 ALA A 78 -1.208 -6.788 10.228 1.00 1.50 H new ATOM 1236 N THR A 79 2.358 -8.370 10.329 1.00 3.61 N ATOM 1237 CA THR A 79 2.830 -9.641 9.701 1.00 5.12 C ATOM 1238 C THR A 79 3.307 -10.625 10.784 1.00 5.14 C ATOM 1239 O THR A 79 4.072 -11.530 10.511 1.00 6.04 O ATOM 1240 CB THR A 79 3.981 -9.323 8.733 1.00 5.72 C ATOM 1241 OG1 THR A 79 4.418 -10.524 8.096 1.00 6.69 O ATOM 1242 CG2 THR A 79 5.145 -8.667 9.493 1.00 6.01 C ATOM 0 H THR A 79 3.084 -7.672 10.488 1.00 3.61 H new ATOM 0 HA THR A 79 2.008 -10.104 9.154 1.00 5.12 H new ATOM 0 HB THR A 79 3.628 -8.626 7.973 1.00 5.72 H new ATOM 0 HG1 THR A 79 4.434 -11.254 8.750 1.00 6.69 H new ATOM 0 HG21 THR A 79 5.955 -8.446 8.798 1.00 6.01 H new ATOM 0 HG22 THR A 79 4.802 -7.742 9.956 1.00 6.01 H new ATOM 0 HG23 THR A 79 5.505 -9.347 10.265 1.00 6.01 H new ATOM 1250 N GLY A 80 2.856 -10.462 12.006 1.00 5.00 N ATOM 1251 CA GLY A 80 3.280 -11.392 13.095 1.00 6.26 C ATOM 1252 C GLY A 80 2.194 -12.448 13.323 1.00 7.76 C ATOM 1253 O GLY A 80 2.067 -12.991 14.405 1.00 8.86 O ATOM 0 H GLY A 80 2.213 -9.724 12.293 1.00 5.00 H new ATOM 0 HA2 GLY A 80 4.220 -11.875 12.829 1.00 6.26 H new ATOM 0 HA3 GLY A 80 3.457 -10.834 14.014 1.00 6.26 H new ATOM 1257 N LYS A 81 1.412 -12.743 12.314 1.00 8.25 N ATOM 1258 CA LYS A 81 0.334 -13.763 12.466 1.00 10.02 C ATOM 1259 C LYS A 81 -0.085 -14.267 11.081 1.00 10.81 C ATOM 1260 O LYS A 81 -1.248 -14.232 10.718 1.00 11.45 O ATOM 1261 CB LYS A 81 -0.867 -13.131 13.175 1.00 10.42 C ATOM 1262 CG LYS A 81 -0.760 -13.376 14.682 1.00 10.76 C ATOM 1263 CD LYS A 81 -2.155 -13.324 15.308 1.00 11.90 C ATOM 1264 CE LYS A 81 -2.046 -13.552 16.816 1.00 12.50 C ATOM 1265 NZ LYS A 81 -1.771 -12.254 17.496 1.00 12.36 N ATOM 0 H LYS A 81 1.476 -12.318 11.389 1.00 8.25 H new ATOM 0 HA LYS A 81 0.700 -14.601 13.059 1.00 10.02 H new ATOM 0 HB2 LYS A 81 -0.900 -12.061 12.972 1.00 10.42 H new ATOM 0 HB3 LYS A 81 -1.794 -13.557 12.792 1.00 10.42 H new ATOM 0 HG2 LYS A 81 -0.301 -14.346 14.872 1.00 10.76 H new ATOM 0 HG3 LYS A 81 -0.117 -12.624 15.139 1.00 10.76 H new ATOM 0 HD2 LYS A 81 -2.619 -12.358 15.108 1.00 11.90 H new ATOM 0 HD3 LYS A 81 -2.795 -14.084 14.860 1.00 11.90 H new ATOM 0 HE2 LYS A 81 -2.971 -13.986 17.197 1.00 12.50 H new ATOM 0 HE3 LYS A 81 -1.248 -14.263 17.030 1.00 12.50 H new ATOM 0 HZ1 LYS A 81 -1.697 -12.408 18.522 1.00 12.36 H new ATOM 0 HZ2 LYS A 81 -0.878 -11.858 17.140 1.00 12.36 H new ATOM 0 HZ3 LYS A 81 -2.546 -11.589 17.301 1.00 12.36 H new ATOM 1279 N LEU A 82 0.859 -14.732 10.303 1.00 11.14 N ATOM 1280 CA LEU A 82 0.542 -15.235 8.945 1.00 12.32 C ATOM 1281 C LEU A 82 0.592 -16.772 8.964 1.00 13.48 C ATOM 1282 O LEU A 82 1.580 -17.364 9.353 1.00 13.60 O ATOM 1283 CB LEU A 82 1.581 -14.654 7.968 1.00 12.45 C ATOM 1284 CG LEU A 82 1.494 -15.343 6.606 1.00 13.71 C ATOM 1285 CD1 LEU A 82 0.117 -15.096 5.987 1.00 14.70 C ATOM 1286 CD2 LEU A 82 2.581 -14.789 5.682 1.00 13.99 C ATOM 0 H LEU A 82 1.845 -14.782 10.559 1.00 11.14 H new ATOM 0 HA LEU A 82 -0.455 -14.929 8.627 1.00 12.32 H new ATOM 0 HB2 LEU A 82 1.416 -13.583 7.850 1.00 12.45 H new ATOM 0 HB3 LEU A 82 2.583 -14.778 8.380 1.00 12.45 H new ATOM 0 HG LEU A 82 1.640 -16.415 6.735 1.00 13.71 H new ATOM 0 HD11 LEU A 82 0.061 -15.589 5.017 1.00 14.70 H new ATOM 0 HD12 LEU A 82 -0.655 -15.498 6.644 1.00 14.70 H new ATOM 0 HD13 LEU A 82 -0.037 -14.025 5.859 1.00 14.70 H new ATOM 0 HD21 LEU A 82 2.519 -15.281 4.711 1.00 13.99 H new ATOM 0 HD22 LEU A 82 2.439 -13.716 5.555 1.00 13.99 H new ATOM 0 HD23 LEU A 82 3.561 -14.976 6.121 1.00 13.99 H new ATOM 1298 N ARG A 83 -0.470 -17.413 8.542 1.00 14.62 N ATOM 1299 CA ARG A 83 -0.502 -18.908 8.525 1.00 15.93 C ATOM 1300 C ARG A 83 -0.269 -19.454 9.937 1.00 15.93 C ATOM 1301 O ARG A 83 -0.193 -18.707 10.894 1.00 15.21 O ATOM 1302 CB ARG A 83 0.587 -19.431 7.586 1.00 16.50 C ATOM 1303 CG ARG A 83 0.045 -19.477 6.154 1.00 17.44 C ATOM 1304 CD ARG A 83 -0.591 -20.844 5.884 1.00 18.70 C ATOM 1305 NE ARG A 83 -0.179 -21.339 4.525 1.00 19.85 N ATOM 1306 CZ ARG A 83 -0.336 -20.615 3.435 1.00 20.46 C ATOM 1307 NH1 ARG A 83 -1.044 -19.511 3.441 1.00 20.28 N ATOM 1308 NH2 ARG A 83 0.174 -21.040 2.310 1.00 21.56 N ATOM 0 H ARG A 83 -1.321 -16.962 8.207 1.00 14.62 H new ATOM 0 HA ARG A 83 -1.478 -19.240 8.173 1.00 15.93 H new ATOM 0 HB2 ARG A 83 1.464 -18.786 7.634 1.00 16.50 H new ATOM 0 HB3 ARG A 83 0.905 -20.426 7.898 1.00 16.50 H new ATOM 0 HG2 ARG A 83 -0.692 -18.688 6.009 1.00 17.44 H new ATOM 0 HG3 ARG A 83 0.852 -19.294 5.444 1.00 17.44 H new ATOM 0 HD2 ARG A 83 -0.282 -21.556 6.649 1.00 18.70 H new ATOM 0 HD3 ARG A 83 -1.677 -20.767 5.939 1.00 18.70 H new ATOM 0 HE ARG A 83 0.236 -22.267 4.444 1.00 19.85 H new ATOM 0 HH11 ARG A 83 -1.488 -19.195 4.303 1.00 20.28 H new ATOM 0 HH12 ARG A 83 -1.150 -18.969 2.584 1.00 20.28 H new ATOM 0 HH21 ARG A 83 0.686 -21.922 2.283 1.00 21.56 H new ATOM 0 HH22 ARG A 83 0.060 -20.490 1.459 1.00 21.56 H new ATOM 1322 N LYS A 84 -0.158 -20.752 10.069 1.00 17.00 N ATOM 1323 CA LYS A 84 0.068 -21.358 11.413 1.00 17.34 C ATOM 1324 C LYS A 84 1.045 -22.532 11.291 1.00 18.30 C ATOM 1325 O LYS A 84 0.653 -23.685 11.313 1.00 19.49 O ATOM 1326 CB LYS A 84 -1.267 -21.854 11.982 1.00 18.24 C ATOM 1327 CG LYS A 84 -1.925 -22.821 10.992 1.00 19.68 C ATOM 1328 CD LYS A 84 -3.446 -22.697 11.091 1.00 20.63 C ATOM 1329 CE LYS A 84 -4.092 -24.029 10.707 1.00 22.13 C ATOM 1330 NZ LYS A 84 -5.411 -23.773 10.062 1.00 22.96 N ATOM 0 H LYS A 84 -0.215 -21.419 9.299 1.00 17.00 H new ATOM 0 HA LYS A 84 0.490 -20.608 12.082 1.00 17.34 H new ATOM 0 HB2 LYS A 84 -1.103 -22.353 12.937 1.00 18.24 H new ATOM 0 HB3 LYS A 84 -1.928 -21.009 12.173 1.00 18.24 H new ATOM 0 HG2 LYS A 84 -1.597 -22.598 9.977 1.00 19.68 H new ATOM 0 HG3 LYS A 84 -1.618 -23.844 11.209 1.00 19.68 H new ATOM 0 HD2 LYS A 84 -3.734 -22.420 12.105 1.00 20.63 H new ATOM 0 HD3 LYS A 84 -3.801 -21.905 10.431 1.00 20.63 H new ATOM 0 HE2 LYS A 84 -3.442 -24.578 10.025 1.00 22.13 H new ATOM 0 HE3 LYS A 84 -4.223 -24.651 11.593 1.00 22.13 H new ATOM 0 HZ1 LYS A 84 -5.851 -24.678 9.800 1.00 22.96 H new ATOM 0 HZ2 LYS A 84 -6.030 -23.266 10.727 1.00 22.96 H new ATOM 0 HZ3 LYS A 84 -5.274 -23.195 9.208 1.00 22.96 H new ATOM 1344 N LEU A 85 2.315 -22.244 11.164 1.00 18.03 N ATOM 1345 CA LEU A 85 3.327 -23.335 11.042 1.00 19.20 C ATOM 1346 C LEU A 85 3.982 -23.574 12.405 1.00 19.32 C ATOM 1347 O LEU A 85 4.224 -24.699 12.797 1.00 20.11 O ATOM 1348 CB LEU A 85 4.395 -22.929 10.025 1.00 19.37 C ATOM 1349 CG LEU A 85 3.828 -23.057 8.611 1.00 19.87 C ATOM 1350 CD1 LEU A 85 2.945 -21.846 8.303 1.00 19.51 C ATOM 1351 CD2 LEU A 85 4.979 -23.116 7.603 1.00 20.46 C ATOM 0 H LEU A 85 2.695 -21.298 11.140 1.00 18.03 H new ATOM 0 HA LEU A 85 2.839 -24.250 10.707 1.00 19.20 H new ATOM 0 HB2 LEU A 85 4.715 -21.903 10.208 1.00 19.37 H new ATOM 0 HB3 LEU A 85 5.275 -23.562 10.134 1.00 19.37 H new ATOM 0 HG LEU A 85 3.234 -23.968 8.540 1.00 19.87 H new ATOM 0 HD11 LEU A 85 2.541 -21.937 7.295 1.00 19.51 H new ATOM 0 HD12 LEU A 85 2.125 -21.802 9.020 1.00 19.51 H new ATOM 0 HD13 LEU A 85 3.539 -20.935 8.374 1.00 19.51 H new ATOM 0 HD21 LEU A 85 4.575 -23.207 6.595 1.00 20.46 H new ATOM 0 HD22 LEU A 85 5.573 -22.205 7.675 1.00 20.46 H new ATOM 0 HD23 LEU A 85 5.610 -23.978 7.821 1.00 20.46 H new ATOM 1363 N GLU A 86 4.269 -22.519 13.128 1.00 18.78 N ATOM 1364 CA GLU A 86 4.909 -22.668 14.471 1.00 19.18 C ATOM 1365 C GLU A 86 6.249 -23.402 14.325 1.00 19.85 C ATOM 1366 O GLU A 86 6.499 -24.398 14.977 1.00 20.37 O ATOM 1367 CB GLU A 86 3.979 -23.462 15.395 1.00 19.95 C ATOM 1368 CG GLU A 86 3.045 -22.499 16.132 1.00 19.91 C ATOM 1369 CD GLU A 86 3.858 -21.640 17.101 1.00 19.77 C ATOM 1370 OE1 GLU A 86 4.032 -22.062 18.232 1.00 20.13 O ATOM 1371 OE2 GLU A 86 4.291 -20.574 16.696 1.00 19.53 O ATOM 0 H GLU A 86 4.086 -21.557 12.844 1.00 18.78 H new ATOM 0 HA GLU A 86 5.087 -21.682 14.900 1.00 19.18 H new ATOM 0 HB2 GLU A 86 3.396 -24.177 14.814 1.00 19.95 H new ATOM 0 HB3 GLU A 86 4.566 -24.036 16.112 1.00 19.95 H new ATOM 0 HG2 GLU A 86 2.523 -21.864 15.417 1.00 19.91 H new ATOM 0 HG3 GLU A 86 2.284 -23.059 16.676 1.00 19.91 H new ATOM 1378 N LYS A 87 7.111 -22.911 13.468 1.00 20.05 N ATOM 1379 CA LYS A 87 8.441 -23.567 13.264 1.00 20.94 C ATOM 1380 C LYS A 87 8.237 -25.004 12.779 1.00 22.19 C ATOM 1381 O LYS A 87 9.225 -25.702 12.624 1.00 23.03 O ATOM 1382 CB LYS A 87 9.222 -23.579 14.582 1.00 21.03 C ATOM 1383 CG LYS A 87 9.344 -22.151 15.120 1.00 20.45 C ATOM 1384 CD LYS A 87 9.473 -22.190 16.644 1.00 20.83 C ATOM 1385 CE LYS A 87 10.354 -21.029 17.112 1.00 20.83 C ATOM 1386 NZ LYS A 87 10.375 -20.992 18.602 1.00 21.28 N ATOM 1387 OXT LYS A 87 7.095 -25.382 12.570 1.00 22.47 O ATOM 0 H LYS A 87 6.950 -22.080 12.898 1.00 20.05 H new ATOM 0 HA LYS A 87 9.004 -23.008 12.517 1.00 20.94 H new ATOM 0 HB2 LYS A 87 8.715 -24.211 15.311 1.00 21.03 H new ATOM 0 HB3 LYS A 87 10.213 -24.005 14.425 1.00 21.03 H new ATOM 0 HG2 LYS A 87 10.213 -21.659 14.683 1.00 20.45 H new ATOM 0 HG3 LYS A 87 8.470 -21.567 14.833 1.00 20.45 H new ATOM 0 HD2 LYS A 87 8.488 -22.121 17.105 1.00 20.83 H new ATOM 0 HD3 LYS A 87 9.907 -23.139 16.959 1.00 20.83 H new ATOM 0 HE2 LYS A 87 11.366 -21.148 16.726 1.00 20.83 H new ATOM 0 HE3 LYS A 87 9.972 -20.087 16.719 1.00 20.83 H new ATOM 0 HZ1 LYS A 87 10.973 -20.204 18.921 1.00 21.28 H new ATOM 0 HZ2 LYS A 87 9.407 -20.859 18.960 1.00 21.28 H new ATOM 0 HZ3 LYS A 87 10.759 -21.887 18.966 1.00 21.28 H new TER 1401 LYS A 87