USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1013 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 74 GLN : amide:sc= -0.399! C(o=0.63!,f=-3.2!) USER MOD Set 1.2: A 109 THR OG1 : rot -58:sc= 1.03 USER MOD Set 2.1: A 25 GLN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Set 2.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00277) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0507 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 14:sc= 1.18 USER MOD Single : A 9 MET CE :methyl 161:sc= -5.77! (180deg=-6.4!) USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.13 USER MOD Single : A 12 GLN : amide:sc= 1.22 K(o=1.2,f=-0.63) USER MOD Single : A 13 MET CE :methyl -174:sc= -1.07 (180deg=-1.16) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.11) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= 0.148 (180deg=-0.244) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -143:sc= 0.058 USER MOD Single : A 31 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.36) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -157:sc= -0.169! USER MOD Single : A 41 LYS NZ :NH3+ 167:sc=-0.00988 (180deg=-0.191) USER MOD Single : A 47 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.116) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0.216 (180deg=0.194) USER MOD Single : A 69 TYR OH : rot -141:sc= 1.29 USER MOD Single : A 71 HIS : no HD1:sc= -0.9 X(o=-0.9,f=-0.86) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= -1.68! (180deg=-3.82!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc=-0.00967 K(o=-0.0097,f=-1) USER MOD Single : A 88 GLN : amide:sc= -0.824 K(o=-0.82,f=-1.7) USER MOD Single : A 89 SER OG : rot 23:sc= 0.0694 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS :FLIP no HD1:sc= -0.0858 F(o=-2.6!,f=-0.086) USER MOD Single : A 93 HIS : no HD1:sc=-0.00287 X(o=-0.0029,f=-0.0029) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc=-0.000526 (180deg=-0.103) USER MOD Single : A 103 THR OG1 : rot 75:sc= 0.515 USER MOD Single : A 105 SER OG : rot 71:sc= 1.17 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=-0.024) USER MOD Single : A 114 LYS NZ :NH3+ 155:sc= 1.27 (180deg=0.0739) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.056 18.956 -15.078 1.00 0.00 N ATOM 2 CA MET A 1 -7.875 19.157 -14.212 1.00 0.00 C ATOM 3 C MET A 1 -8.116 18.566 -12.831 1.00 0.00 C ATOM 4 O MET A 1 -8.675 19.217 -11.947 1.00 0.00 O ATOM 5 CB MET A 1 -7.521 20.641 -14.100 1.00 0.00 C ATOM 6 CG MET A 1 -6.939 21.228 -15.374 1.00 0.00 C ATOM 7 SD MET A 1 -5.403 20.422 -15.878 1.00 0.00 S ATOM 8 CE MET A 1 -5.037 21.312 -17.388 1.00 0.00 C ATOM 0 H1 MET A 1 -8.860 19.336 -16.026 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.266 17.940 -15.149 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.874 19.451 -14.669 1.00 0.00 H new ATOM 0 HA MET A 1 -7.032 18.640 -14.671 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.417 21.200 -13.829 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.805 20.774 -13.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.671 21.139 -16.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.754 22.292 -15.227 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.113 20.929 -17.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.854 21.177 -18.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.921 22.373 -17.166 1.00 0.00 H new ATOM 20 N LEU A 2 -7.741 17.306 -12.679 1.00 0.00 N ATOM 21 CA LEU A 2 -7.782 16.633 -11.390 1.00 0.00 C ATOM 22 C LEU A 2 -6.372 16.214 -10.995 1.00 0.00 C ATOM 23 O LEU A 2 -5.404 16.587 -11.655 1.00 0.00 O ATOM 24 CB LEU A 2 -8.698 15.397 -11.431 1.00 0.00 C ATOM 25 CG LEU A 2 -10.206 15.671 -11.485 1.00 0.00 C ATOM 26 CD1 LEU A 2 -10.633 16.155 -12.865 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.984 14.424 -11.091 1.00 0.00 C ATOM 0 H LEU A 2 -7.401 16.722 -13.443 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.186 17.327 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.427 14.799 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.492 14.789 -10.550 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.430 16.464 -10.772 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.707 16.340 -12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.105 17.077 -13.107 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.393 15.394 -13.608 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.053 14.633 -11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.745 13.613 -11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.712 14.131 -10.077 1.00 0.00 H new ATOM 39 N SER A 3 -6.262 15.434 -9.934 1.00 0.00 N ATOM 40 CA SER A 3 -4.973 14.928 -9.486 1.00 0.00 C ATOM 41 C SER A 3 -4.697 13.544 -10.073 1.00 0.00 C ATOM 42 O SER A 3 -3.868 12.784 -9.557 1.00 0.00 O ATOM 43 CB SER A 3 -4.946 14.886 -7.962 1.00 0.00 C ATOM 44 OG SER A 3 -6.195 14.455 -7.447 1.00 0.00 O ATOM 0 H SER A 3 -7.053 15.135 -9.363 1.00 0.00 H new ATOM 0 HA SER A 3 -4.187 15.597 -9.838 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.157 14.212 -7.626 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.708 15.875 -7.571 1.00 0.00 H new ATOM 0 HG SER A 3 -6.155 14.434 -6.468 1.00 0.00 H new ATOM 50 N GLN A 4 -5.382 13.242 -11.172 1.00 0.00 N ATOM 51 CA GLN A 4 -5.255 11.955 -11.837 1.00 0.00 C ATOM 52 C GLN A 4 -3.889 11.840 -12.509 1.00 0.00 C ATOM 53 O GLN A 4 -3.712 12.252 -13.655 1.00 0.00 O ATOM 54 CB GLN A 4 -6.388 11.777 -12.853 1.00 0.00 C ATOM 55 CG GLN A 4 -6.480 10.378 -13.442 1.00 0.00 C ATOM 56 CD GLN A 4 -7.776 10.158 -14.199 1.00 0.00 C ATOM 57 OE1 GLN A 4 -8.776 9.727 -13.629 1.00 0.00 O ATOM 58 NE2 GLN A 4 -7.768 10.444 -15.490 1.00 0.00 N ATOM 0 H GLN A 4 -6.037 13.881 -11.623 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.333 11.159 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.335 12.020 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.250 12.493 -13.664 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -5.637 10.212 -14.113 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.400 9.643 -12.641 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.919 10.800 -15.928 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.611 10.309 -16.048 1.00 0.00 H new ATOM 67 N THR A 5 -2.956 11.260 -11.765 1.00 0.00 N ATOM 68 CA THR A 5 -1.542 11.150 -12.123 1.00 0.00 C ATOM 69 C THR A 5 -0.800 10.492 -10.959 1.00 0.00 C ATOM 70 O THR A 5 0.142 9.714 -11.148 1.00 0.00 O ATOM 71 CB THR A 5 -0.892 12.532 -12.420 1.00 0.00 C ATOM 72 OG1 THR A 5 -1.316 13.026 -13.695 1.00 0.00 O ATOM 73 CG2 THR A 5 0.630 12.460 -12.390 1.00 0.00 C ATOM 0 H THR A 5 -3.168 10.837 -10.862 1.00 0.00 H new ATOM 0 HA THR A 5 -1.471 10.555 -13.033 1.00 0.00 H new ATOM 0 HB THR A 5 -1.221 13.213 -11.635 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.082 12.503 -14.010 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.045 13.445 -12.602 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.959 12.132 -11.404 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.976 11.751 -13.142 1.00 0.00 H new ATOM 81 N LEU A 6 -1.257 10.803 -9.747 1.00 0.00 N ATOM 82 CA LEU A 6 -0.610 10.332 -8.528 1.00 0.00 C ATOM 83 C LEU A 6 -1.633 9.715 -7.569 1.00 0.00 C ATOM 84 O LEU A 6 -1.281 8.925 -6.689 1.00 0.00 O ATOM 85 CB LEU A 6 0.102 11.506 -7.843 1.00 0.00 C ATOM 86 CG LEU A 6 0.946 11.147 -6.617 1.00 0.00 C ATOM 87 CD1 LEU A 6 2.212 10.413 -7.031 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.288 12.398 -5.824 1.00 0.00 C ATOM 0 H LEU A 6 -2.080 11.384 -9.585 1.00 0.00 H new ATOM 0 HA LEU A 6 0.116 9.563 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.746 11.993 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.649 12.237 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 6 0.361 10.483 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.797 10.168 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.946 9.495 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.802 11.049 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.888 12.126 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.852 13.085 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.369 12.881 -5.493 1.00 0.00 H new ATOM 100 N LEU A 7 -2.897 10.067 -7.752 1.00 0.00 N ATOM 101 CA LEU A 7 -3.942 9.671 -6.820 1.00 0.00 C ATOM 102 C LEU A 7 -4.346 8.215 -7.022 1.00 0.00 C ATOM 103 O LEU A 7 -4.432 7.456 -6.062 1.00 0.00 O ATOM 104 CB LEU A 7 -5.163 10.583 -6.974 1.00 0.00 C ATOM 105 CG LEU A 7 -6.297 10.333 -5.973 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.816 10.570 -4.549 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.494 11.218 -6.286 1.00 0.00 C ATOM 0 H LEU A 7 -3.224 10.627 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.544 9.772 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.837 11.619 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.559 10.466 -7.983 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.608 9.292 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.635 10.388 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.992 9.892 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.476 11.600 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.288 11.025 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.197 12.265 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.856 10.999 -7.290 1.00 0.00 H new ATOM 119 N GLU A 8 -4.576 7.835 -8.272 1.00 0.00 N ATOM 120 CA GLU A 8 -5.035 6.489 -8.615 1.00 0.00 C ATOM 121 C GLU A 8 -4.073 5.438 -8.079 1.00 0.00 C ATOM 122 O GLU A 8 -4.490 4.412 -7.545 1.00 0.00 O ATOM 123 CB GLU A 8 -5.164 6.314 -10.135 1.00 0.00 C ATOM 124 CG GLU A 8 -5.517 7.581 -10.898 1.00 0.00 C ATOM 125 CD GLU A 8 -4.319 8.486 -11.099 1.00 0.00 C ATOM 126 OE1 GLU A 8 -3.543 8.249 -12.048 1.00 0.00 O ATOM 127 OE2 GLU A 8 -4.138 9.425 -10.296 1.00 0.00 O ATOM 0 H GLU A 8 -4.451 8.448 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.015 6.357 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.223 5.925 -10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.927 5.562 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.934 7.313 -11.869 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.292 8.124 -10.357 1.00 0.00 H new ATOM 134 N MET A 9 -2.786 5.706 -8.232 1.00 0.00 N ATOM 135 CA MET A 9 -1.741 4.829 -7.726 1.00 0.00 C ATOM 136 C MET A 9 -1.881 4.636 -6.216 1.00 0.00 C ATOM 137 O MET A 9 -1.735 3.524 -5.703 1.00 0.00 O ATOM 138 CB MET A 9 -0.380 5.429 -8.060 1.00 0.00 C ATOM 139 CG MET A 9 0.799 4.626 -7.551 1.00 0.00 C ATOM 140 SD MET A 9 2.368 5.340 -8.069 1.00 0.00 S ATOM 141 CE MET A 9 2.225 6.989 -7.388 1.00 0.00 C ATOM 0 H MET A 9 -2.436 6.536 -8.710 1.00 0.00 H new ATOM 0 HA MET A 9 -1.834 3.851 -8.199 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.296 5.529 -9.142 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.327 6.434 -7.642 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.763 4.578 -6.463 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.727 3.602 -7.918 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.214 7.442 -7.320 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.592 7.596 -8.035 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.782 6.935 -6.394 1.00 0.00 H new ATOM 151 N THR A 10 -2.179 5.723 -5.519 1.00 0.00 N ATOM 152 CA THR A 10 -2.409 5.674 -4.084 1.00 0.00 C ATOM 153 C THR A 10 -3.687 4.889 -3.787 1.00 0.00 C ATOM 154 O THR A 10 -3.708 4.027 -2.911 1.00 0.00 O ATOM 155 CB THR A 10 -2.524 7.096 -3.499 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.403 7.889 -3.921 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.580 7.063 -1.978 1.00 0.00 C ATOM 0 H THR A 10 -2.267 6.654 -5.927 1.00 0.00 H new ATOM 0 HA THR A 10 -1.560 5.175 -3.618 1.00 0.00 H new ATOM 0 HB THR A 10 -3.449 7.539 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.527 8.161 -4.854 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.661 8.080 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.447 6.485 -1.658 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.672 6.600 -1.590 1.00 0.00 H new ATOM 165 N GLU A 11 -4.735 5.185 -4.551 1.00 0.00 N ATOM 166 CA GLU A 11 -6.028 4.521 -4.405 1.00 0.00 C ATOM 167 C GLU A 11 -5.893 3.010 -4.561 1.00 0.00 C ATOM 168 O GLU A 11 -6.468 2.241 -3.789 1.00 0.00 O ATOM 169 CB GLU A 11 -7.009 5.062 -5.450 1.00 0.00 C ATOM 170 CG GLU A 11 -7.301 6.546 -5.313 1.00 0.00 C ATOM 171 CD GLU A 11 -7.961 6.889 -3.998 1.00 0.00 C ATOM 172 OE1 GLU A 11 -9.177 6.644 -3.859 1.00 0.00 O ATOM 173 OE2 GLU A 11 -7.279 7.418 -3.101 1.00 0.00 O ATOM 0 H GLU A 11 -4.713 5.890 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.405 4.728 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.606 4.872 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.946 4.509 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.370 7.106 -5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.946 6.863 -6.133 1.00 0.00 H new ATOM 180 N GLN A 12 -5.127 2.595 -5.566 1.00 0.00 N ATOM 181 CA GLN A 12 -4.905 1.180 -5.831 1.00 0.00 C ATOM 182 C GLN A 12 -4.221 0.513 -4.642 1.00 0.00 C ATOM 183 O GLN A 12 -4.588 -0.592 -4.245 1.00 0.00 O ATOM 184 CB GLN A 12 -4.065 1.002 -7.101 1.00 0.00 C ATOM 185 CG GLN A 12 -3.907 -0.446 -7.548 1.00 0.00 C ATOM 186 CD GLN A 12 -3.056 -0.584 -8.798 1.00 0.00 C ATOM 187 OE1 GLN A 12 -3.009 0.318 -9.636 1.00 0.00 O ATOM 188 NE2 GLN A 12 -2.385 -1.717 -8.934 1.00 0.00 N ATOM 0 H GLN A 12 -4.648 3.223 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.872 0.701 -5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.524 1.572 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.076 1.428 -6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.456 -1.024 -6.741 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.892 -0.874 -7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.452 -2.439 -8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.801 -1.868 -9.757 1.00 0.00 H new ATOM 197 N MET A 13 -3.239 1.197 -4.066 1.00 0.00 N ATOM 198 CA MET A 13 -2.511 0.664 -2.923 1.00 0.00 C ATOM 199 C MET A 13 -3.426 0.556 -1.709 1.00 0.00 C ATOM 200 O MET A 13 -3.354 -0.410 -0.947 1.00 0.00 O ATOM 201 CB MET A 13 -1.298 1.539 -2.604 1.00 0.00 C ATOM 202 CG MET A 13 -0.439 0.996 -1.473 1.00 0.00 C ATOM 203 SD MET A 13 1.082 1.936 -1.236 1.00 0.00 S ATOM 204 CE MET A 13 1.902 1.673 -2.808 1.00 0.00 C ATOM 0 H MET A 13 -2.930 2.120 -4.372 1.00 0.00 H new ATOM 0 HA MET A 13 -2.157 -0.335 -3.177 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.685 1.637 -3.500 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.641 2.540 -2.341 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.015 1.007 -0.548 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.189 -0.044 -1.680 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.902 2.105 -2.773 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.975 0.604 -3.006 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.328 2.151 -3.602 1.00 0.00 H new ATOM 214 N ILE A 14 -4.299 1.547 -1.545 1.00 0.00 N ATOM 215 CA ILE A 14 -5.254 1.555 -0.443 1.00 0.00 C ATOM 216 C ILE A 14 -6.208 0.370 -0.556 1.00 0.00 C ATOM 217 O ILE A 14 -6.400 -0.378 0.403 1.00 0.00 O ATOM 218 CB ILE A 14 -6.076 2.868 -0.399 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.157 4.068 -0.184 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.135 2.807 0.699 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.875 5.404 -0.201 1.00 0.00 C ATOM 0 H ILE A 14 -4.364 2.356 -2.163 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.678 1.480 0.479 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.582 2.985 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.645 3.954 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.390 4.069 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.700 3.739 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.812 1.975 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.650 2.663 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.155 6.206 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.364 5.542 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.623 5.425 0.592 1.00 0.00 H new ATOM 233 N GLU A 15 -6.781 0.201 -1.740 1.00 0.00 N ATOM 234 CA GLU A 15 -7.761 -0.849 -1.990 1.00 0.00 C ATOM 235 C GLU A 15 -7.180 -2.235 -1.711 1.00 0.00 C ATOM 236 O GLU A 15 -7.834 -3.079 -1.098 1.00 0.00 O ATOM 237 CB GLU A 15 -8.245 -0.763 -3.433 1.00 0.00 C ATOM 238 CG GLU A 15 -9.444 -1.643 -3.723 1.00 0.00 C ATOM 239 CD GLU A 15 -10.728 -1.129 -3.098 1.00 0.00 C ATOM 240 OE1 GLU A 15 -10.751 -0.885 -1.875 1.00 0.00 O ATOM 241 OE2 GLU A 15 -11.731 -0.983 -3.829 1.00 0.00 O ATOM 0 H GLU A 15 -6.581 0.785 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.602 -0.700 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.500 0.272 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.429 -1.044 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.578 -1.719 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.246 -2.649 -3.354 1.00 0.00 H new ATOM 248 N VAL A 16 -5.947 -2.466 -2.155 1.00 0.00 N ATOM 249 CA VAL A 16 -5.290 -3.753 -1.951 1.00 0.00 C ATOM 250 C VAL A 16 -5.121 -4.053 -0.461 1.00 0.00 C ATOM 251 O VAL A 16 -5.396 -5.167 -0.013 1.00 0.00 O ATOM 252 CB VAL A 16 -3.909 -3.808 -2.648 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.191 -5.114 -2.342 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.063 -3.631 -4.151 1.00 0.00 C ATOM 0 H VAL A 16 -5.384 -1.780 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.934 -4.510 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.305 -2.989 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.224 -5.124 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.041 -5.203 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.793 -5.951 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.082 -3.672 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.692 -4.428 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.526 -2.666 -4.358 1.00 0.00 H new ATOM 264 N ALA A 17 -4.684 -3.059 0.300 1.00 0.00 N ATOM 265 CA ALA A 17 -4.484 -3.235 1.733 1.00 0.00 C ATOM 266 C ALA A 17 -5.813 -3.481 2.441 1.00 0.00 C ATOM 267 O ALA A 17 -5.941 -4.417 3.233 1.00 0.00 O ATOM 268 CB ALA A 17 -3.780 -2.023 2.324 1.00 0.00 C ATOM 0 H ALA A 17 -4.462 -2.126 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.853 -4.111 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.638 -2.171 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.810 -1.896 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.387 -1.133 2.158 1.00 0.00 H new ATOM 274 N GLU A 18 -6.800 -2.648 2.132 1.00 0.00 N ATOM 275 CA GLU A 18 -8.126 -2.756 2.715 1.00 0.00 C ATOM 276 C GLU A 18 -8.773 -4.104 2.396 1.00 0.00 C ATOM 277 O GLU A 18 -9.362 -4.747 3.270 1.00 0.00 O ATOM 278 CB GLU A 18 -8.984 -1.611 2.182 1.00 0.00 C ATOM 279 CG GLU A 18 -8.602 -0.253 2.752 1.00 0.00 C ATOM 280 CD GLU A 18 -9.065 -0.045 4.183 1.00 0.00 C ATOM 281 OE1 GLU A 18 -8.784 -0.900 5.050 1.00 0.00 O ATOM 282 OE2 GLU A 18 -9.707 0.995 4.453 1.00 0.00 O ATOM 0 H GLU A 18 -6.700 -1.879 1.469 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.044 -2.691 3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.898 -1.578 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.030 -1.813 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.519 -0.142 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.028 0.529 2.123 1.00 0.00 H new ATOM 289 N LYS A 19 -8.661 -4.532 1.148 1.00 0.00 N ATOM 290 CA LYS A 19 -9.258 -5.792 0.722 1.00 0.00 C ATOM 291 C LYS A 19 -8.464 -6.984 1.232 1.00 0.00 C ATOM 292 O LYS A 19 -9.042 -7.997 1.608 1.00 0.00 O ATOM 293 CB LYS A 19 -9.384 -5.843 -0.803 1.00 0.00 C ATOM 294 CG LYS A 19 -10.733 -5.353 -1.311 1.00 0.00 C ATOM 295 CD LYS A 19 -11.049 -3.962 -0.789 1.00 0.00 C ATOM 296 CE LYS A 19 -12.446 -3.517 -1.175 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.728 -2.141 -0.693 1.00 0.00 N ATOM 0 H LYS A 19 -8.164 -4.028 0.413 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.257 -5.847 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.594 -5.237 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.227 -6.868 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.731 -5.343 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.514 -6.046 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.951 -3.951 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.321 -3.253 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.555 -3.554 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.178 -4.208 -0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.580 -1.776 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.882 -2.158 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.920 -1.524 -0.912 1.00 0.00 H new ATOM 311 N GLY A 20 -7.145 -6.859 1.253 1.00 0.00 N ATOM 312 CA GLY A 20 -6.314 -7.944 1.732 1.00 0.00 C ATOM 313 C GLY A 20 -6.512 -8.213 3.211 1.00 0.00 C ATOM 314 O GLY A 20 -6.585 -9.368 3.631 1.00 0.00 O ATOM 0 H GLY A 20 -6.637 -6.029 0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.541 -8.848 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.267 -7.706 1.546 1.00 0.00 H new ATOM 318 N ALA A 21 -6.619 -7.146 3.997 1.00 0.00 N ATOM 319 CA ALA A 21 -6.837 -7.272 5.430 1.00 0.00 C ATOM 320 C ALA A 21 -8.188 -7.915 5.721 1.00 0.00 C ATOM 321 O ALA A 21 -8.294 -8.821 6.551 1.00 0.00 O ATOM 322 CB ALA A 21 -6.738 -5.912 6.105 1.00 0.00 C ATOM 0 H ALA A 21 -6.558 -6.184 3.663 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.059 -7.919 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.904 -6.025 7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.747 -5.492 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.492 -5.244 5.690 1.00 0.00 H new ATOM 328 N ASP A 22 -9.215 -7.452 5.018 1.00 0.00 N ATOM 329 CA ASP A 22 -10.569 -7.967 5.206 1.00 0.00 C ATOM 330 C ASP A 22 -10.683 -9.400 4.695 1.00 0.00 C ATOM 331 O ASP A 22 -11.304 -10.248 5.336 1.00 0.00 O ATOM 332 CB ASP A 22 -11.576 -7.065 4.486 1.00 0.00 C ATOM 333 CG ASP A 22 -13.012 -7.540 4.626 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.645 -7.234 5.656 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.516 -8.192 3.684 1.00 0.00 O ATOM 0 H ASP A 22 -9.137 -6.720 4.312 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.792 -7.969 6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.495 -6.053 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.318 -7.015 3.428 1.00 0.00 H new ATOM 340 N ARG A 23 -10.054 -9.676 3.556 1.00 0.00 N ATOM 341 CA ARG A 23 -10.112 -11.004 2.955 1.00 0.00 C ATOM 342 C ARG A 23 -9.419 -12.027 3.845 1.00 0.00 C ATOM 343 O ARG A 23 -9.849 -13.173 3.942 1.00 0.00 O ATOM 344 CB ARG A 23 -9.467 -11.000 1.567 1.00 0.00 C ATOM 345 CG ARG A 23 -9.826 -12.220 0.735 1.00 0.00 C ATOM 346 CD ARG A 23 -9.309 -12.104 -0.689 1.00 0.00 C ATOM 347 NE ARG A 23 -9.708 -13.254 -1.500 1.00 0.00 N ATOM 348 CZ ARG A 23 -10.035 -13.178 -2.793 1.00 0.00 C ATOM 349 NH1 ARG A 23 -9.974 -12.016 -3.433 1.00 0.00 N ATOM 350 NH2 ARG A 23 -10.426 -14.263 -3.452 1.00 0.00 N ATOM 0 H ARG A 23 -9.499 -8.999 3.032 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.161 -11.280 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.775 -10.101 1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.384 -10.950 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.410 -13.113 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.909 -12.344 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.690 -11.189 -1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.222 -12.026 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.738 -14.169 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.676 -11.176 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.225 -11.964 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.478 -15.161 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.674 -14.198 -4.439 1.00 0.00 H new ATOM 364 N TYR A 24 -8.342 -11.606 4.495 1.00 0.00 N ATOM 365 CA TYR A 24 -7.616 -12.478 5.406 1.00 0.00 C ATOM 366 C TYR A 24 -8.440 -12.713 6.668 1.00 0.00 C ATOM 367 O TYR A 24 -8.408 -13.793 7.258 1.00 0.00 O ATOM 368 CB TYR A 24 -6.261 -11.861 5.763 1.00 0.00 C ATOM 369 CG TYR A 24 -5.315 -12.814 6.467 1.00 0.00 C ATOM 370 CD1 TYR A 24 -4.530 -13.694 5.735 1.00 0.00 C ATOM 371 CD2 TYR A 24 -5.205 -12.833 7.853 1.00 0.00 C ATOM 372 CE1 TYR A 24 -3.662 -14.566 6.361 1.00 0.00 C ATOM 373 CE2 TYR A 24 -4.337 -13.704 8.487 1.00 0.00 C ATOM 374 CZ TYR A 24 -3.569 -14.568 7.736 1.00 0.00 C ATOM 375 OH TYR A 24 -2.702 -15.437 8.359 1.00 0.00 O ATOM 0 H TYR A 24 -7.953 -10.667 4.408 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.442 -13.436 4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.785 -11.502 4.850 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.426 -10.992 6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.599 -13.697 4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.806 -12.158 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.058 -15.244 5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.262 -13.707 9.564 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.755 -15.312 9.330 1.00 0.00 H new ATOM 385 N GLN A 25 -9.178 -11.685 7.069 1.00 0.00 N ATOM 386 CA GLN A 25 -10.044 -11.758 8.238 1.00 0.00 C ATOM 387 C GLN A 25 -11.195 -12.732 8.001 1.00 0.00 C ATOM 388 O GLN A 25 -11.433 -13.641 8.802 1.00 0.00 O ATOM 389 CB GLN A 25 -10.595 -10.369 8.557 1.00 0.00 C ATOM 390 CG GLN A 25 -11.596 -10.348 9.697 1.00 0.00 C ATOM 391 CD GLN A 25 -12.253 -8.994 9.854 1.00 0.00 C ATOM 392 OE1 GLN A 25 -11.758 -8.129 10.578 1.00 0.00 O ATOM 393 NE2 GLN A 25 -13.377 -8.803 9.180 1.00 0.00 N ATOM 0 H GLN A 25 -9.193 -10.782 6.595 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.458 -12.120 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.764 -9.708 8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.069 -9.964 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.362 -11.103 9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.092 -10.616 10.626 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.752 -9.547 8.592 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.868 -7.912 9.249 1.00 0.00 H new ATOM 402 N GLU A 26 -11.905 -12.532 6.898 1.00 0.00 N ATOM 403 CA GLU A 26 -13.040 -13.374 6.549 1.00 0.00 C ATOM 404 C GLU A 26 -12.576 -14.772 6.159 1.00 0.00 C ATOM 405 O GLU A 26 -13.155 -15.775 6.586 1.00 0.00 O ATOM 406 CB GLU A 26 -13.837 -12.739 5.409 1.00 0.00 C ATOM 407 CG GLU A 26 -14.398 -11.370 5.760 1.00 0.00 C ATOM 408 CD GLU A 26 -15.354 -11.417 6.933 1.00 0.00 C ATOM 409 OE1 GLU A 26 -16.564 -11.636 6.709 1.00 0.00 O ATOM 410 OE2 GLU A 26 -14.903 -11.259 8.087 1.00 0.00 O ATOM 0 H GLU A 26 -11.712 -11.789 6.226 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.686 -13.461 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.195 -12.648 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.658 -13.402 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.576 -10.693 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.913 -10.959 4.892 1.00 0.00 H new ATOM 417 N GLY A 27 -11.530 -14.830 5.351 1.00 0.00 N ATOM 418 CA GLY A 27 -10.974 -16.099 4.946 1.00 0.00 C ATOM 419 C GLY A 27 -11.498 -16.559 3.603 1.00 0.00 C ATOM 420 O GLY A 27 -10.943 -16.201 2.560 1.00 0.00 O ATOM 0 H GLY A 27 -11.054 -14.014 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.888 -16.018 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.206 -16.851 5.700 1.00 0.00 H new ATOM 424 N LYS A 28 -12.583 -17.328 3.642 1.00 0.00 N ATOM 425 CA LYS A 28 -13.148 -17.964 2.456 1.00 0.00 C ATOM 426 C LYS A 28 -12.128 -18.913 1.835 1.00 0.00 C ATOM 427 O LYS A 28 -11.317 -18.523 0.989 1.00 0.00 O ATOM 428 CB LYS A 28 -13.635 -16.932 1.429 1.00 0.00 C ATOM 429 CG LYS A 28 -14.196 -17.551 0.155 1.00 0.00 C ATOM 430 CD LYS A 28 -15.353 -18.497 0.444 1.00 0.00 C ATOM 431 CE LYS A 28 -15.830 -19.198 -0.821 1.00 0.00 C ATOM 432 NZ LYS A 28 -14.776 -20.070 -1.409 1.00 0.00 N ATOM 0 H LYS A 28 -13.097 -17.528 4.500 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.021 -18.538 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.403 -16.310 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.806 -16.274 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.533 -16.760 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.405 -18.093 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.042 -19.240 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.179 -17.939 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.711 -19.798 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.134 -18.452 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.223 -20.861 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.197 -19.516 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.171 -20.443 -0.650 1.00 0.00 H new ATOM 446 N ASN A 29 -12.159 -20.157 2.288 1.00 0.00 N ATOM 447 CA ASN A 29 -11.219 -21.165 1.822 1.00 0.00 C ATOM 448 C ASN A 29 -11.360 -21.390 0.328 1.00 0.00 C ATOM 449 O ASN A 29 -12.446 -21.687 -0.173 1.00 0.00 O ATOM 450 CB ASN A 29 -11.424 -22.485 2.569 1.00 0.00 C ATOM 451 CG ASN A 29 -11.105 -22.370 4.045 1.00 0.00 C ATOM 452 OD1 ASN A 29 -11.968 -22.029 4.849 1.00 0.00 O ATOM 453 ND2 ASN A 29 -9.865 -22.653 4.414 1.00 0.00 N ATOM 0 H ASN A 29 -12.828 -20.494 2.981 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.213 -20.799 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.457 -22.811 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.793 -23.253 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.599 -22.591 5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.176 -22.933 3.716 1.00 0.00 H new ATOM 460 N SER A 30 -10.260 -21.220 -0.380 1.00 0.00 N ATOM 461 CA SER A 30 -10.219 -21.473 -1.803 1.00 0.00 C ATOM 462 C SER A 30 -9.743 -22.900 -2.038 1.00 0.00 C ATOM 463 O SER A 30 -8.548 -23.183 -1.971 1.00 0.00 O ATOM 464 CB SER A 30 -9.300 -20.456 -2.476 1.00 0.00 C ATOM 465 OG SER A 30 -9.633 -19.142 -2.054 1.00 0.00 O ATOM 0 H SER A 30 -9.374 -20.904 0.015 1.00 0.00 H new ATOM 0 HA SER A 30 -11.212 -21.365 -2.239 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.261 -20.673 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.392 -20.532 -3.559 1.00 0.00 H new ATOM 0 HG SER A 30 -9.538 -18.522 -2.807 1.00 0.00 H new ATOM 471 N ASN A 31 -10.700 -23.786 -2.285 1.00 0.00 N ATOM 472 CA ASN A 31 -10.458 -25.227 -2.339 1.00 0.00 C ATOM 473 C ASN A 31 -9.279 -25.588 -3.238 1.00 0.00 C ATOM 474 O ASN A 31 -8.282 -26.139 -2.773 1.00 0.00 O ATOM 475 CB ASN A 31 -11.720 -25.945 -2.816 1.00 0.00 C ATOM 476 CG ASN A 31 -12.904 -25.711 -1.896 1.00 0.00 C ATOM 477 OD1 ASN A 31 -13.645 -24.743 -2.062 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.098 -26.596 -0.931 1.00 0.00 N ATOM 0 H ASN A 31 -11.672 -23.526 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.203 -25.553 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.971 -25.603 -3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.522 -27.015 -2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.885 -26.489 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.460 -27.385 -0.827 1.00 0.00 H new ATOM 485 N HIS A 32 -9.389 -25.278 -4.518 1.00 0.00 N ATOM 486 CA HIS A 32 -8.327 -25.599 -5.465 1.00 0.00 C ATOM 487 C HIS A 32 -8.098 -24.437 -6.422 1.00 0.00 C ATOM 488 O HIS A 32 -7.909 -24.626 -7.625 1.00 0.00 O ATOM 489 CB HIS A 32 -8.640 -26.899 -6.229 1.00 0.00 C ATOM 490 CG HIS A 32 -9.999 -26.961 -6.865 1.00 0.00 C ATOM 491 ND1 HIS A 32 -11.057 -27.647 -6.310 1.00 0.00 N ATOM 492 CD2 HIS A 32 -10.461 -26.443 -8.027 1.00 0.00 C ATOM 493 CE1 HIS A 32 -12.108 -27.548 -7.100 1.00 0.00 C ATOM 494 NE2 HIS A 32 -11.774 -26.825 -8.148 1.00 0.00 N ATOM 0 H HIS A 32 -10.196 -24.807 -4.927 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.407 -25.763 -4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.887 -27.034 -7.006 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.541 -27.738 -5.540 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.901 -25.842 -8.728 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.078 -27.986 -6.918 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -12.391 -26.587 -8.925 1.00 0.00 H new ATOM 503 N SER A 33 -8.106 -23.237 -5.870 1.00 0.00 N ATOM 504 CA SER A 33 -7.890 -22.030 -6.651 1.00 0.00 C ATOM 505 C SER A 33 -7.021 -21.054 -5.861 1.00 0.00 C ATOM 506 O SER A 33 -6.935 -21.166 -4.638 1.00 0.00 O ATOM 507 CB SER A 33 -9.238 -21.384 -6.988 1.00 0.00 C ATOM 508 OG SER A 33 -10.150 -22.339 -7.519 1.00 0.00 O ATOM 0 H SER A 33 -8.261 -23.071 -4.876 1.00 0.00 H new ATOM 0 HA SER A 33 -7.379 -22.286 -7.579 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.662 -20.933 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.089 -20.580 -7.709 1.00 0.00 H new ATOM 0 HG SER A 33 -11.002 -21.899 -7.723 1.00 0.00 H new ATOM 514 N TYR A 34 -6.352 -20.136 -6.570 1.00 0.00 N ATOM 515 CA TYR A 34 -5.594 -19.033 -5.957 1.00 0.00 C ATOM 516 C TYR A 34 -4.239 -19.488 -5.407 1.00 0.00 C ATOM 517 O TYR A 34 -3.386 -18.655 -5.091 1.00 0.00 O ATOM 518 CB TYR A 34 -6.390 -18.347 -4.835 1.00 0.00 C ATOM 519 CG TYR A 34 -7.620 -17.597 -5.301 1.00 0.00 C ATOM 520 CD1 TYR A 34 -7.534 -16.271 -5.703 1.00 0.00 C ATOM 521 CD2 TYR A 34 -8.864 -18.210 -5.328 1.00 0.00 C ATOM 522 CE1 TYR A 34 -8.653 -15.578 -6.120 1.00 0.00 C ATOM 523 CE2 TYR A 34 -9.988 -17.525 -5.743 1.00 0.00 C ATOM 524 CZ TYR A 34 -9.877 -16.210 -6.138 1.00 0.00 C ATOM 525 OH TYR A 34 -10.997 -15.523 -6.548 1.00 0.00 O ATOM 0 H TYR A 34 -6.320 -20.136 -7.589 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.417 -18.317 -6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.694 -19.102 -4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.732 -17.651 -4.314 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.576 -15.773 -5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.955 -19.241 -5.019 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.569 -14.547 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.949 -18.017 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.778 -16.113 -6.502 1.00 0.00 H new ATOM 535 N ASP A 35 -4.032 -20.795 -5.301 1.00 0.00 N ATOM 536 CA ASP A 35 -2.805 -21.321 -4.709 1.00 0.00 C ATOM 537 C ASP A 35 -1.648 -21.247 -5.699 1.00 0.00 C ATOM 538 O ASP A 35 -1.459 -22.147 -6.522 1.00 0.00 O ATOM 539 CB ASP A 35 -3.008 -22.760 -4.229 1.00 0.00 C ATOM 540 CG ASP A 35 -1.787 -23.323 -3.520 1.00 0.00 C ATOM 541 OD1 ASP A 35 -1.512 -22.910 -2.375 1.00 0.00 O ATOM 542 OD2 ASP A 35 -1.113 -24.207 -4.091 1.00 0.00 O ATOM 0 H ASP A 35 -4.692 -21.507 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.556 -20.703 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.863 -22.796 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.250 -23.392 -5.083 1.00 0.00 H new ATOM 547 N PHE A 36 -0.917 -20.133 -5.629 1.00 0.00 N ATOM 548 CA PHE A 36 0.281 -19.890 -6.439 1.00 0.00 C ATOM 549 C PHE A 36 -0.037 -19.683 -7.919 1.00 0.00 C ATOM 550 O PHE A 36 -1.086 -20.110 -8.413 1.00 0.00 O ATOM 551 CB PHE A 36 1.304 -21.019 -6.270 1.00 0.00 C ATOM 552 CG PHE A 36 2.007 -21.003 -4.941 1.00 0.00 C ATOM 553 CD1 PHE A 36 1.487 -21.689 -3.856 1.00 0.00 C ATOM 554 CD2 PHE A 36 3.189 -20.300 -4.780 1.00 0.00 C ATOM 555 CE1 PHE A 36 2.132 -21.675 -2.634 1.00 0.00 C ATOM 556 CE2 PHE A 36 3.839 -20.281 -3.560 1.00 0.00 C ATOM 557 CZ PHE A 36 3.310 -20.971 -2.486 1.00 0.00 C ATOM 0 H PHE A 36 -1.143 -19.363 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 36 0.714 -18.961 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.798 -21.977 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.046 -20.947 -7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.566 -22.242 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.608 -19.761 -5.617 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.715 -22.214 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.759 -19.727 -3.446 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.817 -20.959 -1.533 1.00 0.00 H new ATOM 567 N PHE A 37 0.877 -18.981 -8.597 1.00 0.00 N ATOM 568 CA PHE A 37 0.830 -18.753 -10.046 1.00 0.00 C ATOM 569 C PHE A 37 -0.288 -17.787 -10.455 1.00 0.00 C ATOM 570 O PHE A 37 -0.030 -16.757 -11.081 1.00 0.00 O ATOM 571 CB PHE A 37 0.689 -20.084 -10.796 1.00 0.00 C ATOM 572 CG PHE A 37 0.947 -19.972 -12.272 1.00 0.00 C ATOM 573 CD1 PHE A 37 2.244 -19.903 -12.753 1.00 0.00 C ATOM 574 CD2 PHE A 37 -0.101 -19.941 -13.177 1.00 0.00 C ATOM 575 CE1 PHE A 37 2.491 -19.804 -14.108 1.00 0.00 C ATOM 576 CE2 PHE A 37 0.142 -19.841 -14.534 1.00 0.00 C ATOM 577 CZ PHE A 37 1.439 -19.772 -14.998 1.00 0.00 C ATOM 0 H PHE A 37 1.684 -18.548 -8.147 1.00 0.00 H new ATOM 0 HA PHE A 37 1.774 -18.283 -10.323 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.383 -20.808 -10.368 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.316 -20.475 -10.640 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.072 -19.927 -12.060 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.118 -19.996 -12.819 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.507 -19.752 -14.470 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.683 -19.817 -15.230 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.630 -19.693 -16.058 1.00 0.00 H new ATOM 587 N GLU A 38 -1.521 -18.122 -10.098 1.00 0.00 N ATOM 588 CA GLU A 38 -2.688 -17.365 -10.536 1.00 0.00 C ATOM 589 C GLU A 38 -2.692 -15.945 -9.981 1.00 0.00 C ATOM 590 O GLU A 38 -2.475 -14.986 -10.716 1.00 0.00 O ATOM 591 CB GLU A 38 -3.975 -18.079 -10.120 1.00 0.00 C ATOM 592 CG GLU A 38 -4.106 -19.482 -10.685 1.00 0.00 C ATOM 593 CD GLU A 38 -5.421 -20.133 -10.313 1.00 0.00 C ATOM 594 OE1 GLU A 38 -5.554 -20.594 -9.162 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.325 -20.196 -11.173 1.00 0.00 O ATOM 0 H GLU A 38 -1.740 -18.920 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.637 -17.302 -11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.016 -18.130 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.830 -17.485 -10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.017 -19.443 -11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.283 -20.096 -10.319 1.00 0.00 H new ATOM 602 N THR A 39 -2.949 -15.808 -8.693 1.00 0.00 N ATOM 603 CA THR A 39 -3.109 -14.491 -8.091 1.00 0.00 C ATOM 604 C THR A 39 -1.801 -13.972 -7.495 1.00 0.00 C ATOM 605 O THR A 39 -1.597 -12.763 -7.374 1.00 0.00 O ATOM 606 CB THR A 39 -4.191 -14.536 -6.999 1.00 0.00 C ATOM 607 OG1 THR A 39 -5.304 -15.303 -7.471 1.00 0.00 O ATOM 608 CG2 THR A 39 -4.660 -13.136 -6.626 1.00 0.00 C ATOM 0 H THR A 39 -3.052 -16.587 -8.043 1.00 0.00 H new ATOM 0 HA THR A 39 -3.411 -13.806 -8.883 1.00 0.00 H new ATOM 0 HB THR A 39 -3.764 -14.998 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.112 -15.043 -6.981 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.425 -13.203 -5.852 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.815 -12.557 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.076 -12.645 -7.506 1.00 0.00 H new ATOM 616 N ILE A 40 -0.896 -14.882 -7.160 1.00 0.00 N ATOM 617 CA ILE A 40 0.333 -14.511 -6.462 1.00 0.00 C ATOM 618 C ILE A 40 1.407 -14.026 -7.450 1.00 0.00 C ATOM 619 O ILE A 40 2.584 -13.921 -7.114 1.00 0.00 O ATOM 620 CB ILE A 40 0.864 -15.694 -5.609 1.00 0.00 C ATOM 621 CG1 ILE A 40 -0.289 -16.344 -4.835 1.00 0.00 C ATOM 622 CG2 ILE A 40 1.943 -15.226 -4.635 1.00 0.00 C ATOM 623 CD1 ILE A 40 0.147 -17.450 -3.894 1.00 0.00 C ATOM 0 H ILE A 40 -0.987 -15.878 -7.358 1.00 0.00 H new ATOM 0 HA ILE A 40 0.098 -13.686 -5.790 1.00 0.00 H new ATOM 0 HB ILE A 40 1.305 -16.428 -6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.807 -15.575 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.008 -16.749 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.298 -16.074 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.775 -14.797 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.527 -14.472 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.725 -17.859 -3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.638 -18.240 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.842 -17.048 -3.157 1.00 0.00 H new ATOM 635 N LYS A 41 0.994 -13.711 -8.671 1.00 0.00 N ATOM 636 CA LYS A 41 1.911 -13.130 -9.643 1.00 0.00 C ATOM 637 C LYS A 41 1.455 -11.726 -10.076 1.00 0.00 C ATOM 638 O LYS A 41 2.119 -10.753 -9.735 1.00 0.00 O ATOM 639 CB LYS A 41 2.113 -14.044 -10.858 1.00 0.00 C ATOM 640 CG LYS A 41 3.120 -13.494 -11.856 1.00 0.00 C ATOM 641 CD LYS A 41 3.270 -14.407 -13.058 1.00 0.00 C ATOM 642 CE LYS A 41 4.280 -13.854 -14.053 1.00 0.00 C ATOM 643 NZ LYS A 41 5.643 -13.735 -13.464 1.00 0.00 N ATOM 0 H LYS A 41 0.041 -13.846 -9.009 1.00 0.00 H new ATOM 0 HA LYS A 41 2.877 -13.030 -9.148 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.446 -15.024 -10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.156 -14.190 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.802 -12.505 -12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.087 -13.372 -11.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.586 -15.396 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.304 -14.528 -13.548 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.319 -14.504 -14.927 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.949 -12.875 -14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.335 -13.569 -14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.664 -12.939 -12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.883 -14.614 -12.963 1.00 0.00 H new ATOM 657 N PRO A 42 0.309 -11.578 -10.801 1.00 0.00 N ATOM 658 CA PRO A 42 -0.122 -10.273 -11.335 1.00 0.00 C ATOM 659 C PRO A 42 -0.281 -9.214 -10.251 1.00 0.00 C ATOM 660 O PRO A 42 -0.057 -8.028 -10.495 1.00 0.00 O ATOM 661 CB PRO A 42 -1.476 -10.563 -11.997 1.00 0.00 C ATOM 662 CG PRO A 42 -1.909 -11.875 -11.447 1.00 0.00 C ATOM 663 CD PRO A 42 -0.649 -12.637 -11.168 1.00 0.00 C ATOM 0 HA PRO A 42 0.621 -9.867 -12.022 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.201 -9.782 -11.768 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.383 -10.603 -13.082 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.496 -11.743 -10.538 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.539 -12.409 -12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.784 -13.356 -10.360 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.315 -13.197 -12.041 1.00 0.00 H new ATOM 671 N ALA A 43 -0.668 -9.645 -9.056 1.00 0.00 N ATOM 672 CA ALA A 43 -0.795 -8.733 -7.932 1.00 0.00 C ATOM 673 C ALA A 43 0.577 -8.234 -7.501 1.00 0.00 C ATOM 674 O ALA A 43 0.782 -7.037 -7.329 1.00 0.00 O ATOM 675 CB ALA A 43 -1.506 -9.413 -6.773 1.00 0.00 C ATOM 0 H ALA A 43 -0.898 -10.616 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.392 -7.876 -8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.593 -8.716 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.501 -9.725 -7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.935 -10.286 -6.458 1.00 0.00 H new ATOM 681 N VAL A 44 1.522 -9.161 -7.372 1.00 0.00 N ATOM 682 CA VAL A 44 2.879 -8.824 -6.956 1.00 0.00 C ATOM 683 C VAL A 44 3.545 -7.910 -7.979 1.00 0.00 C ATOM 684 O VAL A 44 4.236 -6.959 -7.614 1.00 0.00 O ATOM 685 CB VAL A 44 3.739 -10.092 -6.759 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.153 -9.735 -6.327 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.093 -11.021 -5.744 1.00 0.00 C ATOM 0 H VAL A 44 1.372 -10.154 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 44 2.806 -8.303 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 44 3.800 -10.608 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.735 -10.647 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.620 -9.113 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.118 -9.188 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.712 -11.909 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.998 -10.506 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.105 -11.315 -6.097 1.00 0.00 H new ATOM 697 N GLU A 45 3.315 -8.194 -9.260 1.00 0.00 N ATOM 698 CA GLU A 45 3.842 -7.370 -10.339 1.00 0.00 C ATOM 699 C GLU A 45 3.377 -5.929 -10.168 1.00 0.00 C ATOM 700 O GLU A 45 4.176 -4.989 -10.212 1.00 0.00 O ATOM 701 CB GLU A 45 3.373 -7.907 -11.687 1.00 0.00 C ATOM 702 CG GLU A 45 3.709 -9.371 -11.914 1.00 0.00 C ATOM 703 CD GLU A 45 5.171 -9.696 -11.686 1.00 0.00 C ATOM 704 OE1 GLU A 45 5.567 -9.897 -10.522 1.00 0.00 O ATOM 705 OE2 GLU A 45 5.930 -9.770 -12.676 1.00 0.00 O ATOM 0 H GLU A 45 2.764 -8.993 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 45 4.931 -7.401 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.294 -7.775 -11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.825 -7.313 -12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.100 -9.983 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.439 -9.644 -12.934 1.00 0.00 H new ATOM 712 N GLU A 46 2.076 -5.775 -9.948 1.00 0.00 N ATOM 713 CA GLU A 46 1.482 -4.486 -9.688 1.00 0.00 C ATOM 714 C GLU A 46 2.065 -3.860 -8.432 1.00 0.00 C ATOM 715 O GLU A 46 2.475 -2.712 -8.448 1.00 0.00 O ATOM 716 CB GLU A 46 -0.023 -4.640 -9.535 1.00 0.00 C ATOM 717 CG GLU A 46 -0.769 -4.728 -10.852 1.00 0.00 C ATOM 718 CD GLU A 46 -0.603 -3.482 -11.698 1.00 0.00 C ATOM 719 OE1 GLU A 46 -1.002 -2.389 -11.240 1.00 0.00 O ATOM 720 OE2 GLU A 46 -0.080 -3.592 -12.826 1.00 0.00 O ATOM 0 H GLU A 46 1.410 -6.547 -9.947 1.00 0.00 H new ATOM 0 HA GLU A 46 1.701 -3.829 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.229 -5.537 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.409 -3.794 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.412 -5.593 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.829 -4.891 -10.655 1.00 0.00 H new ATOM 727 N ASN A 47 2.106 -4.628 -7.350 1.00 0.00 N ATOM 728 CA ASN A 47 2.570 -4.126 -6.058 1.00 0.00 C ATOM 729 C ASN A 47 4.000 -3.604 -6.134 1.00 0.00 C ATOM 730 O ASN A 47 4.296 -2.535 -5.602 1.00 0.00 O ATOM 731 CB ASN A 47 2.476 -5.209 -4.979 1.00 0.00 C ATOM 732 CG ASN A 47 1.050 -5.643 -4.686 1.00 0.00 C ATOM 733 OD1 ASN A 47 0.809 -6.783 -4.301 1.00 0.00 O ATOM 734 ND2 ASN A 47 0.093 -4.744 -4.871 1.00 0.00 N ATOM 0 H ASN A 47 1.822 -5.608 -7.340 1.00 0.00 H new ATOM 0 HA ASN A 47 1.915 -3.297 -5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.055 -6.077 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.931 -4.838 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.880 -4.991 -4.692 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.330 -3.805 -5.192 1.00 0.00 H new ATOM 741 N ASP A 48 4.876 -4.355 -6.799 1.00 0.00 N ATOM 742 CA ASP A 48 6.276 -3.955 -6.947 1.00 0.00 C ATOM 743 C ASP A 48 6.382 -2.614 -7.664 1.00 0.00 C ATOM 744 O ASP A 48 6.976 -1.665 -7.143 1.00 0.00 O ATOM 745 CB ASP A 48 7.069 -5.022 -7.711 1.00 0.00 C ATOM 746 CG ASP A 48 8.526 -4.634 -7.897 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.249 -4.513 -6.884 1.00 0.00 O ATOM 748 OD2 ASP A 48 8.953 -4.457 -9.057 1.00 0.00 O ATOM 0 H ASP A 48 4.643 -5.243 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 48 6.702 -3.852 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.013 -5.968 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.611 -5.183 -8.687 1.00 0.00 H new ATOM 753 N GLU A 49 5.782 -2.538 -8.846 1.00 0.00 N ATOM 754 CA GLU A 49 5.784 -1.309 -9.636 1.00 0.00 C ATOM 755 C GLU A 49 5.079 -0.178 -8.892 1.00 0.00 C ATOM 756 O GLU A 49 5.531 0.971 -8.909 1.00 0.00 O ATOM 757 CB GLU A 49 5.107 -1.552 -10.981 1.00 0.00 C ATOM 758 CG GLU A 49 5.901 -2.465 -11.898 1.00 0.00 C ATOM 759 CD GLU A 49 7.069 -1.769 -12.574 1.00 0.00 C ATOM 760 OE1 GLU A 49 7.505 -0.698 -12.095 1.00 0.00 O ATOM 761 OE2 GLU A 49 7.552 -2.286 -13.604 1.00 0.00 O ATOM 0 H GLU A 49 5.286 -3.315 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 49 6.820 -1.013 -9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.122 -1.987 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.951 -0.595 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.275 -3.311 -11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.236 -2.869 -12.662 1.00 0.00 H new ATOM 768 N LEU A 50 3.983 -0.523 -8.227 1.00 0.00 N ATOM 769 CA LEU A 50 3.158 0.450 -7.525 1.00 0.00 C ATOM 770 C LEU A 50 3.936 1.082 -6.383 1.00 0.00 C ATOM 771 O LEU A 50 4.052 2.297 -6.307 1.00 0.00 O ATOM 772 CB LEU A 50 1.906 -0.231 -6.969 1.00 0.00 C ATOM 773 CG LEU A 50 0.730 0.694 -6.667 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.138 1.234 -7.959 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.327 -0.044 -5.862 1.00 0.00 C ATOM 0 H LEU A 50 3.643 -1.482 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 50 2.868 1.228 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.577 -0.986 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.176 -0.756 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 50 1.089 1.536 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.700 1.892 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.900 1.793 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.211 0.404 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.160 0.627 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.686 -0.901 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.106 -0.388 -4.923 1.00 0.00 H new ATOM 787 N ALA A 51 4.488 0.239 -5.514 1.00 0.00 N ATOM 788 CA ALA A 51 5.225 0.703 -4.347 1.00 0.00 C ATOM 789 C ALA A 51 6.458 1.498 -4.759 1.00 0.00 C ATOM 790 O ALA A 51 6.807 2.494 -4.120 1.00 0.00 O ATOM 791 CB ALA A 51 5.623 -0.476 -3.470 1.00 0.00 C ATOM 0 H ALA A 51 4.437 -0.776 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 51 4.573 1.363 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.173 -0.114 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.727 -1.002 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.254 -1.158 -4.041 1.00 0.00 H new ATOM 797 N ALA A 52 7.108 1.061 -5.834 1.00 0.00 N ATOM 798 CA ALA A 52 8.288 1.745 -6.335 1.00 0.00 C ATOM 799 C ALA A 52 7.929 3.142 -6.825 1.00 0.00 C ATOM 800 O ALA A 52 8.464 4.138 -6.339 1.00 0.00 O ATOM 801 CB ALA A 52 8.941 0.936 -7.451 1.00 0.00 C ATOM 0 H ALA A 52 6.835 0.238 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 52 9.003 1.842 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.823 1.463 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.235 -0.041 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.233 0.807 -8.269 1.00 0.00 H new ATOM 807 N ARG A 53 6.993 3.206 -7.763 1.00 0.00 N ATOM 808 CA ARG A 53 6.583 4.456 -8.366 1.00 0.00 C ATOM 809 C ARG A 53 5.898 5.363 -7.341 1.00 0.00 C ATOM 810 O ARG A 53 6.019 6.584 -7.407 1.00 0.00 O ATOM 811 CB ARG A 53 5.647 4.136 -9.529 1.00 0.00 C ATOM 812 CG ARG A 53 5.588 5.199 -10.607 1.00 0.00 C ATOM 813 CD ARG A 53 4.606 6.309 -10.267 1.00 0.00 C ATOM 814 NE ARG A 53 4.454 7.281 -11.351 1.00 0.00 N ATOM 815 CZ ARG A 53 3.332 7.967 -11.584 1.00 0.00 C ATOM 816 NH1 ARG A 53 2.248 7.753 -10.842 1.00 0.00 N ATOM 817 NH2 ARG A 53 3.294 8.860 -12.564 1.00 0.00 N ATOM 0 H ARG A 53 6.500 2.389 -8.124 1.00 0.00 H new ATOM 0 HA ARG A 53 7.457 4.996 -8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.961 3.196 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.642 3.980 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.581 5.626 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.301 4.739 -11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.634 5.871 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.943 6.824 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 53 5.252 7.444 -11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.272 7.063 -10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.393 8.279 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.121 9.022 -13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.438 9.385 -12.743 1.00 0.00 H new ATOM 831 N TRP A 54 5.185 4.761 -6.394 1.00 0.00 N ATOM 832 CA TRP A 54 4.475 5.525 -5.373 1.00 0.00 C ATOM 833 C TRP A 54 5.456 6.245 -4.465 1.00 0.00 C ATOM 834 O TRP A 54 5.321 7.444 -4.226 1.00 0.00 O ATOM 835 CB TRP A 54 3.560 4.622 -4.542 1.00 0.00 C ATOM 836 CG TRP A 54 2.650 5.384 -3.632 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.494 6.020 -3.982 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.814 5.593 -2.224 1.00 0.00 C ATOM 839 NE1 TRP A 54 0.932 6.616 -2.882 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.722 6.368 -1.790 1.00 0.00 C ATOM 841 CE3 TRP A 54 3.777 5.201 -1.290 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.568 6.758 -0.462 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.622 5.589 0.027 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.526 6.361 0.430 1.00 0.00 C ATOM 0 H TRP A 54 5.083 3.749 -6.312 1.00 0.00 H new ATOM 0 HA TRP A 54 3.857 6.264 -5.883 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.961 4.007 -5.213 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.172 3.943 -3.948 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.082 6.050 -4.980 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.067 7.156 -2.877 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.626 4.606 -1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.723 7.352 -0.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.359 5.292 0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.435 6.649 1.467 1.00 0.00 H new ATOM 855 N ALA A 55 6.447 5.513 -3.971 1.00 0.00 N ATOM 856 CA ALA A 55 7.469 6.103 -3.121 1.00 0.00 C ATOM 857 C ALA A 55 8.183 7.225 -3.858 1.00 0.00 C ATOM 858 O ALA A 55 8.377 8.310 -3.313 1.00 0.00 O ATOM 859 CB ALA A 55 8.461 5.047 -2.669 1.00 0.00 C ATOM 0 H ALA A 55 6.563 4.515 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 55 6.987 6.520 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.218 5.507 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.938 4.273 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.940 4.601 -3.541 1.00 0.00 H new ATOM 865 N GLU A 56 8.540 6.963 -5.115 1.00 0.00 N ATOM 866 CA GLU A 56 9.192 7.944 -5.954 1.00 0.00 C ATOM 867 C GLU A 56 8.319 9.182 -6.146 1.00 0.00 C ATOM 868 O GLU A 56 8.808 10.310 -6.106 1.00 0.00 O ATOM 869 CB GLU A 56 9.517 7.309 -7.293 1.00 0.00 C ATOM 870 CG GLU A 56 10.591 6.244 -7.202 1.00 0.00 C ATOM 871 CD GLU A 56 11.895 6.772 -6.641 1.00 0.00 C ATOM 872 OE1 GLU A 56 12.030 6.859 -5.403 1.00 0.00 O ATOM 873 OE2 GLU A 56 12.793 7.110 -7.437 1.00 0.00 O ATOM 0 H GLU A 56 8.382 6.064 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 56 10.111 8.269 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.611 6.868 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.841 8.085 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.235 5.428 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.769 5.828 -8.194 1.00 0.00 H new ATOM 880 N GLY A 57 7.028 8.961 -6.351 1.00 0.00 N ATOM 881 CA GLY A 57 6.103 10.062 -6.536 1.00 0.00 C ATOM 882 C GLY A 57 5.882 10.861 -5.267 1.00 0.00 C ATOM 883 O GLY A 57 5.866 12.089 -5.297 1.00 0.00 O ATOM 0 H GLY A 57 6.603 8.035 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.483 10.723 -7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.147 9.673 -6.886 1.00 0.00 H new ATOM 887 N ALA A 58 5.719 10.164 -4.151 1.00 0.00 N ATOM 888 CA ALA A 58 5.518 10.815 -2.863 1.00 0.00 C ATOM 889 C ALA A 58 6.749 11.625 -2.468 1.00 0.00 C ATOM 890 O ALA A 58 6.637 12.761 -2.005 1.00 0.00 O ATOM 891 CB ALA A 58 5.192 9.780 -1.798 1.00 0.00 C ATOM 0 H ALA A 58 5.722 9.145 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 58 4.676 11.502 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.044 10.278 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.282 9.247 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.016 9.071 -1.715 1.00 0.00 H new ATOM 897 N LEU A 59 7.925 11.038 -2.679 1.00 0.00 N ATOM 898 CA LEU A 59 9.180 11.703 -2.392 1.00 0.00 C ATOM 899 C LEU A 59 9.333 12.961 -3.238 1.00 0.00 C ATOM 900 O LEU A 59 9.848 13.971 -2.770 1.00 0.00 O ATOM 901 CB LEU A 59 10.338 10.746 -2.658 1.00 0.00 C ATOM 902 CG LEU A 59 10.502 9.610 -1.644 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.693 8.733 -2.007 1.00 0.00 C ATOM 904 CD2 LEU A 59 10.654 10.166 -0.238 1.00 0.00 C ATOM 0 H LEU A 59 8.028 10.094 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 59 9.188 11.998 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.205 10.309 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.263 11.322 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 59 9.604 8.994 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.792 7.932 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.540 8.302 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.601 9.336 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.769 9.344 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.534 10.808 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.768 10.746 0.022 1.00 0.00 H new ATOM 916 N GLU A 60 8.876 12.882 -4.481 1.00 0.00 N ATOM 917 CA GLU A 60 8.893 14.019 -5.400 1.00 0.00 C ATOM 918 C GLU A 60 8.176 15.230 -4.792 1.00 0.00 C ATOM 919 O GLU A 60 8.738 16.325 -4.727 1.00 0.00 O ATOM 920 CB GLU A 60 8.227 13.619 -6.725 1.00 0.00 C ATOM 921 CG GLU A 60 8.212 14.714 -7.779 1.00 0.00 C ATOM 922 CD GLU A 60 9.595 15.066 -8.286 1.00 0.00 C ATOM 923 OE1 GLU A 60 10.290 14.168 -8.803 1.00 0.00 O ATOM 924 OE2 GLU A 60 9.981 16.248 -8.206 1.00 0.00 O ATOM 0 H GLU A 60 8.483 12.031 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 60 9.930 14.301 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.745 12.750 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.201 13.313 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.594 14.395 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.746 15.606 -7.361 1.00 0.00 H new ATOM 931 N LEU A 61 6.951 15.023 -4.324 1.00 0.00 N ATOM 932 CA LEU A 61 6.145 16.116 -3.785 1.00 0.00 C ATOM 933 C LEU A 61 6.779 16.723 -2.537 1.00 0.00 C ATOM 934 O LEU A 61 6.884 17.948 -2.418 1.00 0.00 O ATOM 935 CB LEU A 61 4.716 15.645 -3.474 1.00 0.00 C ATOM 936 CG LEU A 61 3.713 15.737 -4.634 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.616 17.165 -5.142 1.00 0.00 C ATOM 938 CD2 LEU A 61 4.092 14.795 -5.765 1.00 0.00 C ATOM 0 H LEU A 61 6.493 14.112 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 61 6.101 16.889 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.760 14.609 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.333 16.234 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 61 2.736 15.433 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.901 17.211 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.283 17.817 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.594 17.493 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.364 14.883 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.082 15.056 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.103 13.769 -5.396 1.00 0.00 H new ATOM 950 N ILE A 62 7.218 15.876 -1.613 1.00 0.00 N ATOM 951 CA ILE A 62 7.794 16.358 -0.362 1.00 0.00 C ATOM 952 C ILE A 62 9.184 16.959 -0.589 1.00 0.00 C ATOM 953 O ILE A 62 9.700 17.697 0.253 1.00 0.00 O ATOM 954 CB ILE A 62 7.881 15.244 0.705 1.00 0.00 C ATOM 955 CG1 ILE A 62 8.862 14.151 0.280 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.503 14.649 0.955 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.071 13.082 1.333 1.00 0.00 C ATOM 0 H ILE A 62 7.187 14.861 -1.704 1.00 0.00 H new ATOM 0 HA ILE A 62 7.124 17.134 0.009 1.00 0.00 H new ATOM 0 HB ILE A 62 8.249 15.687 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.498 13.683 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.822 14.608 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.576 13.865 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.828 15.429 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.116 14.226 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.779 12.340 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.465 13.538 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.120 12.598 1.554 1.00 0.00 H new ATOM 969 N LYS A 63 9.778 16.634 -1.729 1.00 0.00 N ATOM 970 CA LYS A 63 11.075 17.177 -2.114 1.00 0.00 C ATOM 971 C LYS A 63 10.919 18.595 -2.641 1.00 0.00 C ATOM 972 O LYS A 63 11.701 19.485 -2.308 1.00 0.00 O ATOM 973 CB LYS A 63 11.711 16.279 -3.183 1.00 0.00 C ATOM 974 CG LYS A 63 12.995 16.821 -3.793 1.00 0.00 C ATOM 975 CD LYS A 63 13.530 15.878 -4.859 1.00 0.00 C ATOM 976 CE LYS A 63 14.757 16.440 -5.555 1.00 0.00 C ATOM 977 NZ LYS A 63 14.443 17.652 -6.358 1.00 0.00 N ATOM 0 H LYS A 63 9.377 15.990 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 63 11.724 17.206 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.919 15.304 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.986 16.119 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.809 17.802 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.744 16.957 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.779 14.920 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.751 15.686 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.514 16.686 -4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.185 15.677 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.258 17.891 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.614 17.466 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.238 18.447 -5.720 1.00 0.00 H new ATOM 991 N VAL A 64 9.895 18.795 -3.457 1.00 0.00 N ATOM 992 CA VAL A 64 9.646 20.087 -4.080 1.00 0.00 C ATOM 993 C VAL A 64 9.088 21.099 -3.078 1.00 0.00 C ATOM 994 O VAL A 64 9.571 22.228 -2.992 1.00 0.00 O ATOM 995 CB VAL A 64 8.674 19.947 -5.273 1.00 0.00 C ATOM 996 CG1 VAL A 64 8.373 21.298 -5.899 1.00 0.00 C ATOM 997 CG2 VAL A 64 9.246 19.001 -6.317 1.00 0.00 C ATOM 0 H VAL A 64 9.218 18.073 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 64 10.605 20.456 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 64 7.739 19.533 -4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.687 21.167 -6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.917 21.951 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.299 21.748 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.549 18.914 -7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.197 19.391 -6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.403 18.019 -5.871 1.00 0.00 H new ATOM 1007 N ARG A 65 8.075 20.697 -2.320 1.00 0.00 N ATOM 1008 CA ARG A 65 7.450 21.603 -1.361 1.00 0.00 C ATOM 1009 C ARG A 65 7.972 21.350 0.054 1.00 0.00 C ATOM 1010 O ARG A 65 8.836 22.076 0.546 1.00 0.00 O ATOM 1011 CB ARG A 65 5.920 21.471 -1.405 1.00 0.00 C ATOM 1012 CG ARG A 65 5.319 21.828 -2.759 1.00 0.00 C ATOM 1013 CD ARG A 65 3.796 21.845 -2.725 1.00 0.00 C ATOM 1014 NE ARG A 65 3.237 22.180 -4.036 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.151 22.930 -4.226 1.00 0.00 C ATOM 1016 NH1 ARG A 65 1.447 23.377 -3.194 1.00 0.00 N ATOM 1017 NH2 ARG A 65 1.756 23.209 -5.461 1.00 0.00 N ATOM 0 H ARG A 65 7.672 19.761 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 65 7.715 22.623 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.644 20.447 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.485 22.116 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.685 22.806 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.656 21.109 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.427 20.870 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.455 22.570 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 65 3.711 21.814 -4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.735 23.148 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.618 23.950 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.282 22.850 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.926 23.782 -5.614 1.00 0.00 H new ATOM 1031 N ARG A 66 7.454 20.309 0.693 1.00 0.00 N ATOM 1032 CA ARG A 66 7.822 19.964 2.061 1.00 0.00 C ATOM 1033 C ARG A 66 7.143 18.643 2.407 1.00 0.00 C ATOM 1034 O ARG A 66 6.182 18.277 1.746 1.00 0.00 O ATOM 1035 CB ARG A 66 7.360 21.059 3.038 1.00 0.00 C ATOM 1036 CG ARG A 66 8.273 21.230 4.243 1.00 0.00 C ATOM 1037 CD ARG A 66 7.590 21.971 5.380 1.00 0.00 C ATOM 1038 NE ARG A 66 7.073 23.277 4.973 1.00 0.00 N ATOM 1039 CZ ARG A 66 7.346 24.418 5.608 1.00 0.00 C ATOM 1040 NH1 ARG A 66 8.169 24.432 6.652 1.00 0.00 N ATOM 1041 NH2 ARG A 66 6.804 25.556 5.191 1.00 0.00 N ATOM 0 H ARG A 66 6.767 19.680 0.278 1.00 0.00 H new ATOM 0 HA ARG A 66 8.905 19.875 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.297 22.007 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.355 20.822 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.597 20.250 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.169 21.774 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.770 21.364 5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.298 22.104 6.198 1.00 0.00 H new ATOM 0 HE ARG A 66 6.467 23.318 4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.598 23.565 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.371 25.310 7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.179 25.558 4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.013 26.428 5.677 1.00 0.00 H new ATOM 1055 N PRO A 67 7.645 17.876 3.384 1.00 0.00 N ATOM 1056 CA PRO A 67 6.947 16.679 3.860 1.00 0.00 C ATOM 1057 C PRO A 67 5.687 17.026 4.655 1.00 0.00 C ATOM 1058 O PRO A 67 5.771 17.513 5.785 1.00 0.00 O ATOM 1059 CB PRO A 67 7.974 15.978 4.763 1.00 0.00 C ATOM 1060 CG PRO A 67 9.276 16.653 4.483 1.00 0.00 C ATOM 1061 CD PRO A 67 8.936 18.052 4.056 1.00 0.00 C ATOM 0 HA PRO A 67 6.607 16.057 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.701 16.072 5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.029 14.912 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.910 16.659 5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.826 16.130 3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.861 18.729 4.907 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.689 18.466 3.385 1.00 0.00 H new ATOM 1069 N LYS A 68 4.524 16.806 4.049 1.00 0.00 N ATOM 1070 CA LYS A 68 3.253 17.025 4.731 1.00 0.00 C ATOM 1071 C LYS A 68 2.799 15.741 5.407 1.00 0.00 C ATOM 1072 O LYS A 68 2.665 14.708 4.752 1.00 0.00 O ATOM 1073 CB LYS A 68 2.154 17.493 3.762 1.00 0.00 C ATOM 1074 CG LYS A 68 2.220 18.963 3.359 1.00 0.00 C ATOM 1075 CD LYS A 68 3.360 19.256 2.396 1.00 0.00 C ATOM 1076 CE LYS A 68 3.320 18.340 1.178 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.012 18.378 0.482 1.00 0.00 N ATOM 0 H LYS A 68 4.436 16.476 3.088 1.00 0.00 H new ATOM 0 HA LYS A 68 3.414 17.808 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.205 16.884 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.184 17.303 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.276 19.252 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.338 19.576 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.304 20.295 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.312 19.134 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.107 18.632 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.533 17.317 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.988 17.643 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.249 18.207 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.880 19.311 0.043 1.00 0.00 H new ATOM 1091 N TYR A 69 2.559 15.825 6.715 1.00 0.00 N ATOM 1092 CA TYR A 69 2.116 14.682 7.521 1.00 0.00 C ATOM 1093 C TYR A 69 3.197 13.604 7.614 1.00 0.00 C ATOM 1094 O TYR A 69 3.804 13.405 8.666 1.00 0.00 O ATOM 1095 CB TYR A 69 0.833 14.056 6.954 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.364 14.976 6.905 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.185 15.138 8.012 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -0.690 15.658 5.742 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.297 15.953 7.961 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -1.797 16.480 5.684 1.00 0.00 C ATOM 1101 CZ TYR A 69 -2.598 16.624 6.796 1.00 0.00 C ATOM 1102 OH TYR A 69 -3.714 17.429 6.737 1.00 0.00 O ATOM 0 H TYR A 69 2.666 16.688 7.249 1.00 0.00 H new ATOM 0 HA TYR A 69 1.914 15.070 8.519 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.038 13.698 5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.577 13.184 7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.950 14.618 8.929 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.067 15.544 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.928 16.064 8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.034 17.008 4.772 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.147 17.325 5.864 1.00 0.00 H new ATOM 1112 N VAL A 70 3.430 12.924 6.502 1.00 0.00 N ATOM 1113 CA VAL A 70 4.321 11.779 6.460 1.00 0.00 C ATOM 1114 C VAL A 70 5.791 12.206 6.477 1.00 0.00 C ATOM 1115 O VAL A 70 6.160 13.269 5.977 1.00 0.00 O ATOM 1116 CB VAL A 70 4.043 10.914 5.206 1.00 0.00 C ATOM 1117 CG1 VAL A 70 4.412 11.661 3.934 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.777 9.586 5.282 1.00 0.00 C ATOM 0 H VAL A 70 3.005 13.152 5.603 1.00 0.00 H new ATOM 0 HA VAL A 70 4.127 11.187 7.355 1.00 0.00 H new ATOM 0 HB VAL A 70 2.973 10.706 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.207 11.030 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.822 12.575 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.472 11.914 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.563 9.000 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.850 9.767 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.446 9.037 6.163 1.00 0.00 H new ATOM 1128 N HIS A 71 6.611 11.370 7.090 1.00 0.00 N ATOM 1129 CA HIS A 71 8.055 11.545 7.087 1.00 0.00 C ATOM 1130 C HIS A 71 8.631 10.652 5.988 1.00 0.00 C ATOM 1131 O HIS A 71 8.090 9.577 5.735 1.00 0.00 O ATOM 1132 CB HIS A 71 8.599 11.161 8.469 1.00 0.00 C ATOM 1133 CG HIS A 71 10.032 11.536 8.726 1.00 0.00 C ATOM 1134 ND1 HIS A 71 10.411 12.742 9.274 1.00 0.00 N ATOM 1135 CD2 HIS A 71 11.174 10.833 8.553 1.00 0.00 C ATOM 1136 CE1 HIS A 71 11.721 12.761 9.426 1.00 0.00 C ATOM 1137 NE2 HIS A 71 12.208 11.614 8.998 1.00 0.00 N ATOM 0 H HIS A 71 6.295 10.549 7.605 1.00 0.00 H new ATOM 0 HA HIS A 71 8.338 12.579 6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.976 11.632 9.229 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.495 10.083 8.595 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.256 9.839 8.140 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.297 13.579 9.833 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.193 11.351 8.998 1.00 0.00 H new ATOM 1146 N LYS A 72 9.706 11.080 5.324 1.00 0.00 N ATOM 1147 CA LYS A 72 10.221 10.341 4.163 1.00 0.00 C ATOM 1148 C LYS A 72 10.590 8.901 4.525 1.00 0.00 C ATOM 1149 O LYS A 72 10.417 7.990 3.720 1.00 0.00 O ATOM 1150 CB LYS A 72 11.426 11.048 3.527 1.00 0.00 C ATOM 1151 CG LYS A 72 12.654 11.116 4.416 1.00 0.00 C ATOM 1152 CD LYS A 72 13.855 11.723 3.694 1.00 0.00 C ATOM 1153 CE LYS A 72 14.540 10.725 2.759 1.00 0.00 C ATOM 1154 NZ LYS A 72 13.718 10.399 1.562 1.00 0.00 N ATOM 0 H LYS A 72 10.232 11.921 5.563 1.00 0.00 H new ATOM 0 HA LYS A 72 9.414 10.314 3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.689 10.532 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.134 12.062 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.427 11.709 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.908 10.113 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.530 12.590 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.575 12.080 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.497 11.134 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.754 9.808 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.338 10.287 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.199 9.513 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.041 11.169 1.386 1.00 0.00 H new ATOM 1168 N GLU A 73 11.082 8.700 5.744 1.00 0.00 N ATOM 1169 CA GLU A 73 11.448 7.368 6.218 1.00 0.00 C ATOM 1170 C GLU A 73 10.214 6.484 6.368 1.00 0.00 C ATOM 1171 O GLU A 73 10.292 5.266 6.221 1.00 0.00 O ATOM 1172 CB GLU A 73 12.183 7.463 7.552 1.00 0.00 C ATOM 1173 CG GLU A 73 13.503 8.206 7.469 1.00 0.00 C ATOM 1174 CD GLU A 73 14.161 8.346 8.820 1.00 0.00 C ATOM 1175 OE1 GLU A 73 14.829 7.386 9.261 1.00 0.00 O ATOM 1176 OE2 GLU A 73 14.006 9.410 9.454 1.00 0.00 O ATOM 0 H GLU A 73 11.237 9.445 6.424 1.00 0.00 H new ATOM 0 HA GLU A 73 12.109 6.917 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.540 7.963 8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.366 6.457 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.174 7.677 6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.336 9.195 7.043 1.00 0.00 H new ATOM 1183 N GLN A 74 9.077 7.107 6.652 1.00 0.00 N ATOM 1184 CA GLN A 74 7.823 6.382 6.796 1.00 0.00 C ATOM 1185 C GLN A 74 7.413 5.811 5.444 1.00 0.00 C ATOM 1186 O GLN A 74 6.931 4.686 5.349 1.00 0.00 O ATOM 1187 CB GLN A 74 6.730 7.312 7.334 1.00 0.00 C ATOM 1188 CG GLN A 74 5.539 6.579 7.927 1.00 0.00 C ATOM 1189 CD GLN A 74 4.509 7.528 8.506 1.00 0.00 C ATOM 1190 OE1 GLN A 74 3.585 7.955 7.816 1.00 0.00 O ATOM 1191 NE2 GLN A 74 4.656 7.857 9.777 1.00 0.00 N ATOM 0 H GLN A 74 8.999 8.115 6.787 1.00 0.00 H new ATOM 0 HA GLN A 74 7.958 5.566 7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.161 7.962 8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.383 7.956 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.072 5.966 7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.884 5.901 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.437 7.480 10.314 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.989 8.488 10.221 1.00 0.00 H new ATOM 1200 N ILE A 75 7.637 6.597 4.396 1.00 0.00 N ATOM 1201 CA ILE A 75 7.367 6.161 3.031 1.00 0.00 C ATOM 1202 C ILE A 75 8.255 4.972 2.677 1.00 0.00 C ATOM 1203 O ILE A 75 7.796 3.991 2.089 1.00 0.00 O ATOM 1204 CB ILE A 75 7.608 7.304 2.018 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.758 8.525 2.383 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.299 6.839 0.599 1.00 0.00 C ATOM 1207 CD1 ILE A 75 7.006 9.728 1.497 1.00 0.00 C ATOM 0 H ILE A 75 8.007 7.545 4.467 1.00 0.00 H new ATOM 0 HA ILE A 75 6.319 5.867 2.975 1.00 0.00 H new ATOM 0 HB ILE A 75 8.659 7.588 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.704 8.253 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.959 8.800 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.475 7.658 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.945 5.999 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.256 6.527 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.369 10.553 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.051 10.027 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.777 9.472 0.463 1.00 0.00 H new ATOM 1219 N GLU A 76 9.522 5.067 3.066 1.00 0.00 N ATOM 1220 CA GLU A 76 10.485 3.989 2.855 1.00 0.00 C ATOM 1221 C GLU A 76 10.007 2.702 3.527 1.00 0.00 C ATOM 1222 O GLU A 76 10.096 1.614 2.951 1.00 0.00 O ATOM 1223 CB GLU A 76 11.846 4.391 3.429 1.00 0.00 C ATOM 1224 CG GLU A 76 12.422 5.663 2.827 1.00 0.00 C ATOM 1225 CD GLU A 76 12.830 5.490 1.382 1.00 0.00 C ATOM 1226 OE1 GLU A 76 13.675 4.612 1.106 1.00 0.00 O ATOM 1227 OE2 GLU A 76 12.333 6.242 0.520 1.00 0.00 O ATOM 0 H GLU A 76 9.910 5.887 3.533 1.00 0.00 H new ATOM 0 HA GLU A 76 10.578 3.812 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.749 4.523 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.551 3.575 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.683 6.461 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.288 5.977 3.410 1.00 0.00 H new ATOM 1234 N ALA A 77 9.498 2.846 4.746 1.00 0.00 N ATOM 1235 CA ALA A 77 8.999 1.716 5.517 1.00 0.00 C ATOM 1236 C ALA A 77 7.752 1.122 4.878 1.00 0.00 C ATOM 1237 O ALA A 77 7.681 -0.082 4.653 1.00 0.00 O ATOM 1238 CB ALA A 77 8.707 2.141 6.947 1.00 0.00 C ATOM 0 H ALA A 77 9.420 3.744 5.224 1.00 0.00 H new ATOM 0 HA ALA A 77 9.772 0.947 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.335 1.286 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.621 2.512 7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.955 2.930 6.946 1.00 0.00 H new ATOM 1244 N VAL A 78 6.777 1.976 4.577 1.00 0.00 N ATOM 1245 CA VAL A 78 5.517 1.536 3.978 1.00 0.00 C ATOM 1246 C VAL A 78 5.754 0.810 2.656 1.00 0.00 C ATOM 1247 O VAL A 78 5.097 -0.188 2.363 1.00 0.00 O ATOM 1248 CB VAL A 78 4.554 2.727 3.759 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.334 2.307 2.948 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.120 3.301 5.098 1.00 0.00 C ATOM 0 H VAL A 78 6.835 2.981 4.739 1.00 0.00 H new ATOM 0 HA VAL A 78 5.056 0.839 4.678 1.00 0.00 H new ATOM 0 HB VAL A 78 5.086 3.494 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.676 3.165 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.654 1.936 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.798 1.520 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.442 4.139 4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.610 2.530 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.996 3.646 5.647 1.00 0.00 H new ATOM 1260 N LYS A 79 6.713 1.302 1.882 1.00 0.00 N ATOM 1261 CA LYS A 79 7.065 0.692 0.603 1.00 0.00 C ATOM 1262 C LYS A 79 7.458 -0.772 0.790 1.00 0.00 C ATOM 1263 O LYS A 79 7.047 -1.641 0.022 1.00 0.00 O ATOM 1264 CB LYS A 79 8.218 1.467 -0.039 1.00 0.00 C ATOM 1265 CG LYS A 79 8.590 0.984 -1.431 1.00 0.00 C ATOM 1266 CD LYS A 79 9.799 1.731 -1.963 1.00 0.00 C ATOM 1267 CE LYS A 79 10.150 1.295 -3.376 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.398 1.945 -3.857 1.00 0.00 N ATOM 0 H LYS A 79 7.265 2.127 2.118 1.00 0.00 H new ATOM 0 HA LYS A 79 6.194 0.731 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.948 2.522 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.094 1.394 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.802 -0.085 -1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.746 1.125 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.599 2.802 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.652 1.559 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.270 0.212 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.328 1.542 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.606 1.624 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.275 2.978 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.187 1.689 -3.230 1.00 0.00 H new ATOM 1282 N ASP A 80 8.250 -1.037 1.820 1.00 0.00 N ATOM 1283 CA ASP A 80 8.682 -2.396 2.120 1.00 0.00 C ATOM 1284 C ASP A 80 7.561 -3.179 2.796 1.00 0.00 C ATOM 1285 O ASP A 80 7.279 -4.321 2.431 1.00 0.00 O ATOM 1286 CB ASP A 80 9.922 -2.376 3.012 1.00 0.00 C ATOM 1287 CG ASP A 80 10.334 -3.763 3.466 1.00 0.00 C ATOM 1288 OD1 ASP A 80 10.916 -4.515 2.653 1.00 0.00 O ATOM 1289 OD2 ASP A 80 10.097 -4.100 4.644 1.00 0.00 O ATOM 0 H ASP A 80 8.607 -0.329 2.462 1.00 0.00 H new ATOM 0 HA ASP A 80 8.933 -2.890 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.748 -1.914 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.727 -1.754 3.886 1.00 0.00 H new ATOM 1294 N ASN A 81 6.912 -2.540 3.768 1.00 0.00 N ATOM 1295 CA ASN A 81 5.833 -3.167 4.530 1.00 0.00 C ATOM 1296 C ASN A 81 4.722 -3.658 3.614 1.00 0.00 C ATOM 1297 O ASN A 81 4.160 -4.727 3.837 1.00 0.00 O ATOM 1298 CB ASN A 81 5.242 -2.197 5.560 1.00 0.00 C ATOM 1299 CG ASN A 81 6.186 -1.899 6.711 1.00 0.00 C ATOM 1300 OD1 ASN A 81 7.050 -2.707 7.051 1.00 0.00 O ATOM 1301 ND2 ASN A 81 6.014 -0.741 7.329 1.00 0.00 N ATOM 0 H ASN A 81 7.117 -1.581 4.048 1.00 0.00 H new ATOM 0 HA ASN A 81 6.269 -4.019 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.980 -1.263 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.317 -2.617 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.610 -0.491 8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.286 -0.099 7.016 1.00 0.00 H new ATOM 1308 N PHE A 82 4.418 -2.878 2.585 1.00 0.00 N ATOM 1309 CA PHE A 82 3.361 -3.225 1.641 1.00 0.00 C ATOM 1310 C PHE A 82 3.670 -4.546 0.940 1.00 0.00 C ATOM 1311 O PHE A 82 2.808 -5.420 0.837 1.00 0.00 O ATOM 1312 CB PHE A 82 3.185 -2.105 0.612 1.00 0.00 C ATOM 1313 CG PHE A 82 2.014 -2.304 -0.308 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.724 -2.357 0.195 1.00 0.00 C ATOM 1315 CD2 PHE A 82 2.203 -2.433 -1.674 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.355 -2.537 -0.648 1.00 0.00 C ATOM 1317 CE2 PHE A 82 1.129 -2.613 -2.521 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.152 -2.665 -2.008 1.00 0.00 C ATOM 0 H PHE A 82 4.890 -1.997 2.381 1.00 0.00 H new ATOM 0 HA PHE A 82 2.430 -3.345 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.065 -1.157 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.094 -2.026 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.561 -2.256 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.203 -2.392 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.356 -2.578 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.290 -2.713 -3.584 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.994 -2.806 -2.670 1.00 0.00 H new ATOM 1328 N LEU A 83 4.906 -4.693 0.481 1.00 0.00 N ATOM 1329 CA LEU A 83 5.324 -5.905 -0.212 1.00 0.00 C ATOM 1330 C LEU A 83 5.337 -7.096 0.741 1.00 0.00 C ATOM 1331 O LEU A 83 4.880 -8.187 0.395 1.00 0.00 O ATOM 1332 CB LEU A 83 6.708 -5.708 -0.836 1.00 0.00 C ATOM 1333 CG LEU A 83 6.765 -4.699 -1.989 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.198 -4.509 -2.462 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.882 -5.158 -3.140 1.00 0.00 C ATOM 0 H LEU A 83 5.637 -3.988 0.576 1.00 0.00 H new ATOM 0 HA LEU A 83 4.606 -6.111 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.398 -5.385 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.066 -6.671 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 83 6.392 -3.741 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.219 -3.790 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.807 -4.138 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.597 -5.463 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.933 -4.431 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.228 -6.127 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.851 -5.245 -2.796 1.00 0.00 H new ATOM 1347 N GLU A 84 5.848 -6.873 1.947 1.00 0.00 N ATOM 1348 CA GLU A 84 5.880 -7.910 2.974 1.00 0.00 C ATOM 1349 C GLU A 84 4.463 -8.352 3.333 1.00 0.00 C ATOM 1350 O GLU A 84 4.190 -9.543 3.467 1.00 0.00 O ATOM 1351 CB GLU A 84 6.591 -7.392 4.228 1.00 0.00 C ATOM 1352 CG GLU A 84 8.057 -7.048 4.013 1.00 0.00 C ATOM 1353 CD GLU A 84 8.950 -8.270 3.941 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.924 -8.982 2.916 1.00 0.00 O ATOM 1355 OE2 GLU A 84 9.707 -8.512 4.904 1.00 0.00 O ATOM 0 H GLU A 84 6.247 -5.981 2.239 1.00 0.00 H new ATOM 0 HA GLU A 84 6.428 -8.766 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.070 -6.505 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.517 -8.145 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.158 -6.476 3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.396 -6.405 4.825 1.00 0.00 H new ATOM 1362 N LEU A 85 3.571 -7.374 3.472 1.00 0.00 N ATOM 1363 CA LEU A 85 2.178 -7.622 3.831 1.00 0.00 C ATOM 1364 C LEU A 85 1.542 -8.607 2.853 1.00 0.00 C ATOM 1365 O LEU A 85 0.989 -9.633 3.261 1.00 0.00 O ATOM 1366 CB LEU A 85 1.408 -6.288 3.835 1.00 0.00 C ATOM 1367 CG LEU A 85 0.012 -6.296 4.476 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.423 -4.871 4.782 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.017 -6.953 3.564 1.00 0.00 C ATOM 0 H LEU A 85 3.794 -6.388 3.339 1.00 0.00 H new ATOM 0 HA LEU A 85 2.135 -8.062 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.016 -5.547 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.306 -5.951 2.803 1.00 0.00 H new ATOM 0 HG LEU A 85 0.071 -6.874 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.414 -4.883 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.287 -4.414 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.455 -4.294 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.993 -6.941 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.072 -6.405 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.722 -7.984 3.366 1.00 0.00 H new ATOM 1381 N VAL A 86 1.639 -8.299 1.566 1.00 0.00 N ATOM 1382 CA VAL A 86 1.046 -9.138 0.530 1.00 0.00 C ATOM 1383 C VAL A 86 1.662 -10.535 0.540 1.00 0.00 C ATOM 1384 O VAL A 86 0.950 -11.541 0.537 1.00 0.00 O ATOM 1385 CB VAL A 86 1.223 -8.507 -0.870 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.604 -9.386 -1.947 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.614 -7.113 -0.904 1.00 0.00 C ATOM 0 H VAL A 86 2.123 -7.473 1.213 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.019 -9.217 0.748 1.00 0.00 H new ATOM 0 HB VAL A 86 2.291 -8.426 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.743 -8.919 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.087 -10.363 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.461 -9.506 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.747 -6.682 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.450 -7.175 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.108 -6.482 -0.165 1.00 0.00 H new ATOM 1397 N LEU A 87 2.986 -10.586 0.580 1.00 0.00 N ATOM 1398 CA LEU A 87 3.710 -11.849 0.546 1.00 0.00 C ATOM 1399 C LEU A 87 3.357 -12.730 1.746 1.00 0.00 C ATOM 1400 O LEU A 87 3.043 -13.913 1.592 1.00 0.00 O ATOM 1401 CB LEU A 87 5.216 -11.585 0.520 1.00 0.00 C ATOM 1402 CG LEU A 87 6.098 -12.831 0.403 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.868 -13.529 -0.925 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.561 -12.461 0.564 1.00 0.00 C ATOM 0 H LEU A 87 3.584 -9.762 0.636 1.00 0.00 H new ATOM 0 HA LEU A 87 3.416 -12.380 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.438 -10.924 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.490 -11.050 1.430 1.00 0.00 H new ATOM 0 HG LEU A 87 5.825 -13.521 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.505 -14.412 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.823 -13.829 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.111 -12.848 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.175 -13.358 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.845 -11.752 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.716 -12.008 1.543 1.00 0.00 H new ATOM 1416 N GLN A 88 3.386 -12.143 2.937 1.00 0.00 N ATOM 1417 CA GLN A 88 3.173 -12.898 4.168 1.00 0.00 C ATOM 1418 C GLN A 88 1.711 -13.296 4.336 1.00 0.00 C ATOM 1419 O GLN A 88 1.400 -14.221 5.088 1.00 0.00 O ATOM 1420 CB GLN A 88 3.643 -12.098 5.386 1.00 0.00 C ATOM 1421 CG GLN A 88 5.134 -11.797 5.381 1.00 0.00 C ATOM 1422 CD GLN A 88 5.980 -13.047 5.258 1.00 0.00 C ATOM 1423 OE1 GLN A 88 6.342 -13.665 6.255 1.00 0.00 O ATOM 1424 NE2 GLN A 88 6.308 -13.427 4.033 1.00 0.00 N ATOM 0 H GLN A 88 3.555 -11.147 3.077 1.00 0.00 H new ATOM 0 HA GLN A 88 3.766 -13.810 4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.092 -11.159 5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.396 -12.653 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.363 -11.125 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.398 -11.273 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.988 -12.887 3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.881 -14.259 3.893 1.00 0.00 H new ATOM 1433 N SER A 89 0.822 -12.606 3.630 1.00 0.00 N ATOM 1434 CA SER A 89 -0.601 -12.904 3.696 1.00 0.00 C ATOM 1435 C SER A 89 -0.891 -14.253 3.038 1.00 0.00 C ATOM 1436 O SER A 89 -1.522 -15.127 3.639 1.00 0.00 O ATOM 1437 CB SER A 89 -1.411 -11.789 3.022 1.00 0.00 C ATOM 1438 OG SER A 89 -2.801 -11.960 3.232 1.00 0.00 O ATOM 0 H SER A 89 1.063 -11.836 3.006 1.00 0.00 H new ATOM 0 HA SER A 89 -0.899 -12.960 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.098 -10.822 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.202 -11.781 1.952 1.00 0.00 H new ATOM 0 HG SER A 89 -2.946 -12.508 4.032 1.00 0.00 H new ATOM 1444 N TYR A 90 -0.393 -14.434 1.820 1.00 0.00 N ATOM 1445 CA TYR A 90 -0.626 -15.666 1.072 1.00 0.00 C ATOM 1446 C TYR A 90 0.035 -16.864 1.749 1.00 0.00 C ATOM 1447 O TYR A 90 -0.532 -17.956 1.790 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.115 -15.531 -0.366 1.00 0.00 C ATOM 1449 CG TYR A 90 -0.946 -14.608 -1.230 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.193 -15.002 -1.693 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.480 -13.350 -1.588 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -2.957 -14.169 -2.489 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -1.237 -12.510 -2.385 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.474 -12.925 -2.831 1.00 0.00 C ATOM 1455 OH TYR A 90 -3.234 -12.092 -3.625 1.00 0.00 O ATOM 0 H TYR A 90 0.175 -13.744 1.329 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.702 -15.837 1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.911 -15.164 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.091 -16.519 -0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.574 -15.977 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.488 -13.022 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.926 -14.491 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.861 -11.535 -2.656 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.752 -11.252 -3.773 1.00 0.00 H new ATOM 1465 N VAL A 91 1.231 -16.657 2.287 1.00 0.00 N ATOM 1466 CA VAL A 91 1.967 -17.747 2.920 1.00 0.00 C ATOM 1467 C VAL A 91 1.511 -17.962 4.361 1.00 0.00 C ATOM 1468 O VAL A 91 1.907 -18.934 5.006 1.00 0.00 O ATOM 1469 CB VAL A 91 3.489 -17.511 2.881 1.00 0.00 C ATOM 1470 CG1 VAL A 91 3.955 -17.340 1.444 1.00 0.00 C ATOM 1471 CG2 VAL A 91 3.880 -16.308 3.723 1.00 0.00 C ATOM 0 H VAL A 91 1.708 -15.756 2.299 1.00 0.00 H new ATOM 0 HA VAL A 91 1.748 -18.647 2.345 1.00 0.00 H new ATOM 0 HB VAL A 91 3.982 -18.385 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.032 -17.174 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.718 -18.239 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.449 -16.484 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.960 -16.166 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.380 -15.418 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.581 -16.475 4.758 1.00 0.00 H new ATOM 1481 N HIS A 92 0.676 -17.046 4.855 1.00 0.00 N ATOM 1482 CA HIS A 92 0.072 -17.164 6.182 1.00 0.00 C ATOM 1483 C HIS A 92 1.133 -17.151 7.279 1.00 0.00 C ATOM 1484 O HIS A 92 0.967 -17.776 8.325 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.767 -18.445 6.271 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.921 -18.467 5.320 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -2.963 -17.620 5.182 1.00 0.00 N flip ATOM 1488 CD2 HIS A 92 -2.111 -19.456 4.382 1.00 0.00 C flip ATOM 1489 CE1 HIS A 92 -3.764 -18.108 4.180 1.00 0.00 C flip ATOM 1490 NE2 HIS A 92 -3.222 -19.219 3.714 1.00 0.00 N flip ATOM 0 H HIS A 92 0.401 -16.205 4.348 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.577 -16.301 6.333 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.126 -19.304 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.142 -18.555 7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.452 -20.296 4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.682 -17.659 3.831 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.600 -19.797 2.963 1.00 0.00 H new ATOM 1499 N HIS A 93 2.208 -16.412 7.047 1.00 0.00 N ATOM 1500 CA HIS A 93 3.320 -16.368 7.993 1.00 0.00 C ATOM 1501 C HIS A 93 3.123 -15.239 9.004 1.00 0.00 C ATOM 1502 O HIS A 93 3.783 -15.195 10.043 1.00 0.00 O ATOM 1503 CB HIS A 93 4.642 -16.186 7.238 1.00 0.00 C ATOM 1504 CG HIS A 93 5.869 -16.362 8.087 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.482 -17.581 8.277 1.00 0.00 N ATOM 1506 CD2 HIS A 93 6.606 -15.460 8.783 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.539 -17.424 9.057 1.00 0.00 C ATOM 1508 NE2 HIS A 93 7.636 -16.147 9.377 1.00 0.00 N ATOM 0 H HIS A 93 2.336 -15.835 6.215 1.00 0.00 H new ATOM 0 HA HIS A 93 3.352 -17.311 8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.678 -16.900 6.415 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.660 -15.190 6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.418 -14.399 8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 93 8.209 -18.208 9.378 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.358 -15.737 9.969 1.00 0.00 H new ATOM 1517 N ILE A 94 2.208 -14.335 8.696 1.00 0.00 N ATOM 1518 CA ILE A 94 1.952 -13.186 9.551 1.00 0.00 C ATOM 1519 C ILE A 94 0.799 -13.480 10.513 1.00 0.00 C ATOM 1520 O ILE A 94 -0.132 -14.213 10.170 1.00 0.00 O ATOM 1521 CB ILE A 94 1.636 -11.928 8.703 1.00 0.00 C ATOM 1522 CG1 ILE A 94 1.503 -10.683 9.586 1.00 0.00 C ATOM 1523 CG2 ILE A 94 0.372 -12.134 7.881 1.00 0.00 C ATOM 1524 CD1 ILE A 94 2.791 -10.294 10.275 1.00 0.00 C ATOM 0 H ILE A 94 1.628 -14.374 7.858 1.00 0.00 H new ATOM 0 HA ILE A 94 2.852 -12.990 10.134 1.00 0.00 H new ATOM 0 HB ILE A 94 2.471 -11.771 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.160 -9.848 8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.736 -10.862 10.340 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.170 -11.238 7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.508 -12.984 7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.468 -12.328 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.624 -9.405 10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.124 -11.113 10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.555 -10.083 9.526 1.00 0.00 H new ATOM 1536 N HIS A 95 0.883 -12.946 11.726 1.00 0.00 N ATOM 1537 CA HIS A 95 -0.191 -13.095 12.702 1.00 0.00 C ATOM 1538 C HIS A 95 -1.085 -11.864 12.674 1.00 0.00 C ATOM 1539 O HIS A 95 -0.617 -10.765 12.385 1.00 0.00 O ATOM 1540 CB HIS A 95 0.372 -13.321 14.108 1.00 0.00 C ATOM 1541 CG HIS A 95 1.089 -14.626 14.262 1.00 0.00 C ATOM 1542 ND1 HIS A 95 0.527 -15.728 14.868 1.00 0.00 N ATOM 1543 CD2 HIS A 95 2.327 -15.005 13.872 1.00 0.00 C ATOM 1544 CE1 HIS A 95 1.389 -16.727 14.843 1.00 0.00 C ATOM 1545 NE2 HIS A 95 2.490 -16.318 14.241 1.00 0.00 N ATOM 0 H HIS A 95 1.683 -12.406 12.057 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.783 -13.971 12.437 1.00 0.00 H new ATOM 0 HB2 HIS A 95 1.057 -12.509 14.351 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.444 -13.277 14.829 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.054 -14.389 13.364 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.221 -17.714 15.248 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.323 -16.883 14.077 1.00 0.00 H new ATOM 1554 N LYS A 96 -2.363 -12.043 12.994 1.00 0.00 N ATOM 1555 CA LYS A 96 -3.352 -10.980 12.820 1.00 0.00 C ATOM 1556 C LYS A 96 -3.084 -9.765 13.714 1.00 0.00 C ATOM 1557 O LYS A 96 -3.529 -8.661 13.399 1.00 0.00 O ATOM 1558 CB LYS A 96 -4.777 -11.514 13.021 1.00 0.00 C ATOM 1559 CG LYS A 96 -4.983 -12.335 14.283 1.00 0.00 C ATOM 1560 CD LYS A 96 -6.380 -12.942 14.306 1.00 0.00 C ATOM 1561 CE LYS A 96 -6.575 -13.903 15.470 1.00 0.00 C ATOM 1562 NZ LYS A 96 -6.507 -13.219 16.787 1.00 0.00 N ATOM 0 H LYS A 96 -2.739 -12.911 13.374 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.257 -10.632 11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.466 -10.670 13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.044 -12.126 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.236 -13.127 14.334 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.840 -11.705 15.161 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.119 -12.144 14.370 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.560 -13.469 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.541 -14.399 15.371 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.812 -14.680 15.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.646 -13.915 17.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.576 -12.768 16.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.251 -12.495 16.841 1.00 0.00 H new ATOM 1576 N LYS A 97 -2.347 -9.957 14.808 1.00 0.00 N ATOM 1577 CA LYS A 97 -1.933 -8.832 15.652 1.00 0.00 C ATOM 1578 C LYS A 97 -1.095 -7.843 14.848 1.00 0.00 C ATOM 1579 O LYS A 97 -1.432 -6.665 14.730 1.00 0.00 O ATOM 1580 CB LYS A 97 -1.105 -9.316 16.851 1.00 0.00 C ATOM 1581 CG LYS A 97 -1.891 -10.085 17.897 1.00 0.00 C ATOM 1582 CD LYS A 97 -0.985 -10.521 19.039 1.00 0.00 C ATOM 1583 CE LYS A 97 -1.739 -11.291 20.113 1.00 0.00 C ATOM 1584 NZ LYS A 97 -2.795 -10.469 20.761 1.00 0.00 N ATOM 0 H LYS A 97 -2.026 -10.870 15.130 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.838 -8.344 16.013 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.297 -9.950 16.485 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.641 -8.452 17.327 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.697 -9.462 18.284 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.355 -10.959 17.440 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.182 -11.144 18.645 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.518 -9.643 19.485 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.193 -12.178 19.670 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.035 -11.637 20.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.165 -10.972 21.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.392 -9.558 21.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.568 -10.302 20.086 1.00 0.00 H new ATOM 1598 N ARG A 98 -0.008 -8.343 14.283 1.00 0.00 N ATOM 1599 CA ARG A 98 0.923 -7.507 13.544 1.00 0.00 C ATOM 1600 C ARG A 98 0.395 -7.230 12.141 1.00 0.00 C ATOM 1601 O ARG A 98 0.724 -6.214 11.533 1.00 0.00 O ATOM 1602 CB ARG A 98 2.290 -8.187 13.478 1.00 0.00 C ATOM 1603 CG ARG A 98 3.391 -7.319 12.892 1.00 0.00 C ATOM 1604 CD ARG A 98 4.715 -8.058 12.899 1.00 0.00 C ATOM 1605 NE ARG A 98 5.810 -7.251 12.368 1.00 0.00 N ATOM 1606 CZ ARG A 98 7.077 -7.653 12.359 1.00 0.00 C ATOM 1607 NH1 ARG A 98 7.397 -8.828 12.884 1.00 0.00 N ATOM 1608 NH2 ARG A 98 8.020 -6.877 11.839 1.00 0.00 N ATOM 0 H ARG A 98 0.252 -9.329 14.323 1.00 0.00 H new ATOM 0 HA ARG A 98 1.028 -6.553 14.061 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.580 -8.492 14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.203 -9.095 12.882 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.133 -7.034 11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.480 -6.397 13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.953 -8.361 13.919 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.621 -8.970 12.309 1.00 0.00 H new ATOM 0 HE ARG A 98 5.591 -6.332 11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.672 -9.419 13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.368 -9.141 12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.773 -5.969 11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.991 -7.188 11.834 1.00 0.00 H new ATOM 1622 N PHE A 99 -0.427 -8.142 11.638 1.00 0.00 N ATOM 1623 CA PHE A 99 -1.024 -7.996 10.319 1.00 0.00 C ATOM 1624 C PHE A 99 -1.829 -6.705 10.233 1.00 0.00 C ATOM 1625 O PHE A 99 -1.663 -5.920 9.295 1.00 0.00 O ATOM 1626 CB PHE A 99 -1.911 -9.205 10.009 1.00 0.00 C ATOM 1627 CG PHE A 99 -2.548 -9.163 8.649 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -1.773 -9.232 7.501 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -3.922 -9.059 8.520 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -2.361 -9.198 6.251 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -4.513 -9.023 7.274 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.732 -9.093 6.139 1.00 0.00 C ATOM 0 H PHE A 99 -0.696 -8.995 12.128 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.226 -7.947 9.578 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.312 -10.112 10.091 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.694 -9.271 10.764 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.699 -9.313 7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.539 -9.005 9.405 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.748 -9.254 5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.586 -8.940 7.187 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.194 -9.066 5.163 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.681 -6.469 11.225 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.476 -5.253 11.260 1.00 0.00 C ATOM 1644 C LYS A 100 -2.583 -4.045 11.521 1.00 0.00 C ATOM 1645 O LYS A 100 -2.792 -2.979 10.951 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.567 -5.345 12.332 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.582 -6.457 12.101 1.00 0.00 C ATOM 1648 CD LYS A 100 -6.165 -6.416 10.694 1.00 0.00 C ATOM 1649 CE LYS A 100 -7.309 -7.407 10.535 1.00 0.00 C ATOM 1650 NZ LYS A 100 -8.587 -6.878 11.088 1.00 0.00 N ATOM 0 H LYS A 100 -2.836 -7.101 12.010 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.958 -5.133 10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.094 -5.497 13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.094 -4.392 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.105 -7.423 12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.388 -6.369 12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.521 -5.409 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.383 -6.642 9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.441 -7.642 9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.054 -8.339 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.340 -7.584 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.470 -6.678 12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.845 -6.002 10.590 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.575 -4.239 12.369 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.621 -3.181 12.708 1.00 0.00 C ATOM 1666 C ASP A 101 0.070 -2.657 11.453 1.00 0.00 C ATOM 1667 O ASP A 101 0.099 -1.449 11.206 1.00 0.00 O ATOM 1668 CB ASP A 101 0.425 -3.713 13.699 1.00 0.00 C ATOM 1669 CG ASP A 101 1.298 -2.623 14.298 1.00 0.00 C ATOM 1670 OD1 ASP A 101 2.157 -2.072 13.580 1.00 0.00 O ATOM 1671 OD2 ASP A 101 1.148 -2.337 15.507 1.00 0.00 O ATOM 0 H ASP A 101 -1.396 -5.127 12.838 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.167 -2.359 13.171 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.084 -4.243 14.504 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.060 -4.439 13.191 1.00 0.00 H new ATOM 1676 N ILE A 102 0.607 -3.573 10.652 1.00 0.00 N ATOM 1677 CA ILE A 102 1.270 -3.214 9.404 1.00 0.00 C ATOM 1678 C ILE A 102 0.289 -2.540 8.445 1.00 0.00 C ATOM 1679 O ILE A 102 0.567 -1.464 7.920 1.00 0.00 O ATOM 1680 CB ILE A 102 1.900 -4.451 8.716 1.00 0.00 C ATOM 1681 CG1 ILE A 102 2.970 -5.072 9.621 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.499 -4.073 7.365 1.00 0.00 C ATOM 1683 CD1 ILE A 102 3.571 -6.351 9.074 1.00 0.00 C ATOM 0 H ILE A 102 0.595 -4.574 10.847 1.00 0.00 H new ATOM 0 HA ILE A 102 2.069 -2.515 9.653 1.00 0.00 H new ATOM 0 HB ILE A 102 1.114 -5.187 8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.767 -4.345 9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.531 -5.277 10.598 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.936 -4.957 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.717 -3.672 6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.273 -3.319 7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.319 -6.729 9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.786 -7.096 8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.041 -6.150 8.111 1.00 0.00 H new ATOM 1695 N THR A 103 -0.867 -3.171 8.250 1.00 0.00 N ATOM 1696 CA THR A 103 -1.893 -2.651 7.349 1.00 0.00 C ATOM 1697 C THR A 103 -2.298 -1.228 7.744 1.00 0.00 C ATOM 1698 O THR A 103 -2.355 -0.332 6.903 1.00 0.00 O ATOM 1699 CB THR A 103 -3.142 -3.558 7.349 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.763 -4.915 7.077 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.153 -3.099 6.310 1.00 0.00 C ATOM 0 H THR A 103 -1.117 -4.048 8.707 1.00 0.00 H new ATOM 0 HA THR A 103 -1.467 -2.635 6.346 1.00 0.00 H new ATOM 0 HB THR A 103 -3.603 -3.494 8.335 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.340 -5.302 7.872 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.022 -3.756 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.464 -2.078 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.698 -3.133 5.320 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.551 -1.034 9.031 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.946 0.254 9.567 1.00 0.00 C ATOM 1711 C GLU A 104 -1.849 1.285 9.352 1.00 0.00 C ATOM 1712 O GLU A 104 -2.110 2.397 8.902 1.00 0.00 O ATOM 1713 CB GLU A 104 -3.238 0.092 11.053 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.823 1.319 11.711 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.142 1.075 13.168 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.190 0.459 13.455 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -3.338 1.469 14.034 1.00 0.00 O ATOM 0 H GLU A 104 -2.487 -1.771 9.733 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.839 0.606 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.928 -0.741 11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.314 -0.175 11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.120 2.147 11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.730 1.616 11.185 1.00 0.00 H new ATOM 1724 N SER A 105 -0.620 0.900 9.673 1.00 0.00 N ATOM 1725 CA SER A 105 0.536 1.767 9.464 1.00 0.00 C ATOM 1726 C SER A 105 0.637 2.200 7.999 1.00 0.00 C ATOM 1727 O SER A 105 0.915 3.365 7.704 1.00 0.00 O ATOM 1728 CB SER A 105 1.818 1.051 9.898 1.00 0.00 C ATOM 1729 OG SER A 105 1.752 0.680 11.266 1.00 0.00 O ATOM 0 H SER A 105 -0.397 -0.008 10.080 1.00 0.00 H new ATOM 0 HA SER A 105 0.408 2.662 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 105 1.970 0.164 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.676 1.703 9.735 1.00 0.00 H new ATOM 0 HG SER A 105 1.104 -0.047 11.377 1.00 0.00 H new ATOM 1735 N VAL A 106 0.395 1.262 7.088 1.00 0.00 N ATOM 1736 CA VAL A 106 0.405 1.555 5.660 1.00 0.00 C ATOM 1737 C VAL A 106 -0.736 2.505 5.297 1.00 0.00 C ATOM 1738 O VAL A 106 -0.514 3.543 4.669 1.00 0.00 O ATOM 1739 CB VAL A 106 0.297 0.263 4.813 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.163 0.589 3.331 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.506 -0.629 5.051 1.00 0.00 C ATOM 0 H VAL A 106 0.189 0.289 7.315 1.00 0.00 H new ATOM 0 HA VAL A 106 1.358 2.034 5.434 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.601 -0.271 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.089 -0.337 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.734 1.187 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.038 1.150 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.415 -1.533 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.413 -0.095 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.557 -0.899 6.106 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.945 2.158 5.726 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.130 2.955 5.428 1.00 0.00 C ATOM 1753 C LEU A 107 -2.994 4.371 5.973 1.00 0.00 C ATOM 1754 O LEU A 107 -3.388 5.329 5.312 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.384 2.297 6.004 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.763 0.950 5.381 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.913 0.319 6.149 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.132 1.124 3.915 1.00 0.00 C ATOM 0 H LEU A 107 -2.131 1.325 6.285 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.224 3.010 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.240 2.155 7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.222 2.983 5.883 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.901 0.286 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.172 -0.638 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.615 0.160 7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.778 0.981 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.398 0.156 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.981 1.803 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.282 1.537 3.372 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.441 4.499 7.175 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.209 5.812 7.774 1.00 0.00 C ATOM 1772 C TYR A 108 -1.393 6.702 6.836 1.00 0.00 C ATOM 1773 O TYR A 108 -1.787 7.831 6.535 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.489 5.676 9.122 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.160 7.006 9.769 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.165 7.816 10.284 1.00 0.00 C ATOM 1777 CD2 TYR A 108 0.154 7.455 9.861 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -1.872 9.032 10.868 1.00 0.00 C ATOM 1779 CE2 TYR A 108 0.454 8.670 10.445 1.00 0.00 C ATOM 1780 CZ TYR A 108 -0.562 9.455 10.948 1.00 0.00 C ATOM 1781 OH TYR A 108 -0.271 10.665 11.533 1.00 0.00 O ATOM 0 H TYR A 108 -2.145 3.713 7.753 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.180 6.278 7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.113 5.095 9.801 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.567 5.114 8.977 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.193 7.489 10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.953 6.843 9.469 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.666 9.650 11.261 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.479 9.004 10.507 1.00 0.00 H new ATOM 0 HH TYR A 108 0.697 10.815 11.511 1.00 0.00 H new ATOM 1791 N THR A 109 -0.271 6.179 6.365 1.00 0.00 N ATOM 1792 CA THR A 109 0.588 6.906 5.443 1.00 0.00 C ATOM 1793 C THR A 109 -0.149 7.204 4.137 1.00 0.00 C ATOM 1794 O THR A 109 -0.032 8.298 3.582 1.00 0.00 O ATOM 1795 CB THR A 109 1.874 6.108 5.155 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.574 5.874 6.386 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.784 6.844 4.181 1.00 0.00 C ATOM 0 H THR A 109 0.067 5.248 6.608 1.00 0.00 H new ATOM 0 HA THR A 109 0.861 7.852 5.911 1.00 0.00 H new ATOM 0 HB THR A 109 1.591 5.160 4.697 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.784 6.732 6.811 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.681 6.251 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.258 7.000 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.065 7.808 4.604 1.00 0.00 H new ATOM 1805 N LEU A 110 -0.931 6.236 3.671 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.732 6.412 2.466 1.00 0.00 C ATOM 1807 C LEU A 110 -2.729 7.551 2.641 1.00 0.00 C ATOM 1808 O LEU A 110 -2.923 8.364 1.739 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.474 5.117 2.125 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.577 3.940 1.749 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.402 2.680 1.555 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.792 4.257 0.487 1.00 0.00 C ATOM 0 H LEU A 110 -1.027 5.321 4.110 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.059 6.662 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.085 4.830 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.156 5.314 1.298 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.874 3.769 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.745 1.852 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.926 2.442 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.128 2.839 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.157 3.409 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.484 4.453 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.171 5.137 0.656 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.341 7.617 3.819 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.316 8.662 4.124 1.00 0.00 C ATOM 1826 C HIS A 111 -3.627 10.016 4.232 1.00 0.00 C ATOM 1827 O HIS A 111 -4.202 11.040 3.881 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.063 8.366 5.433 1.00 0.00 C ATOM 1829 CG HIS A 111 -5.869 7.102 5.419 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.298 6.479 6.570 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.320 6.341 4.395 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -6.980 5.395 6.256 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.009 5.289 4.943 1.00 0.00 N ATOM 0 H HIS A 111 -3.179 6.958 4.581 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.039 8.683 3.308 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.338 8.310 6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.726 9.202 5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.166 6.527 3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.437 4.711 6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.469 4.545 4.419 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.389 10.003 4.719 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.605 11.224 4.875 1.00 0.00 C ATOM 1844 C ALA A 112 -1.288 11.845 3.522 1.00 0.00 C ATOM 1845 O ALA A 112 -1.482 13.045 3.315 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.319 10.928 5.636 1.00 0.00 C ATOM 0 H ALA A 112 -1.905 9.155 5.014 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.197 11.940 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.258 11.846 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.563 10.532 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.269 10.194 5.085 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.822 11.016 2.596 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.463 11.478 1.263 1.00 0.00 C ATOM 1854 C VAL A 113 -1.716 11.854 0.482 1.00 0.00 C ATOM 1855 O VAL A 113 -1.769 12.894 -0.167 1.00 0.00 O ATOM 1856 CB VAL A 113 0.333 10.405 0.486 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.693 10.897 -0.907 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.586 10.011 1.254 1.00 0.00 C ATOM 0 H VAL A 113 -0.684 10.017 2.746 1.00 0.00 H new ATOM 0 HA VAL A 113 0.173 12.356 1.377 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.300 9.524 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.253 10.123 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.219 11.124 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.303 11.797 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.134 9.255 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.218 10.888 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.305 9.608 2.227 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.737 11.007 0.569 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.013 11.278 -0.082 1.00 0.00 C ATOM 1870 C LYS A 114 -4.588 12.607 0.393 1.00 0.00 C ATOM 1871 O LYS A 114 -5.167 13.369 -0.388 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.002 10.150 0.222 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.367 10.329 -0.423 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.295 9.174 -0.087 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.681 9.382 -0.675 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.648 9.510 -2.156 1.00 0.00 N ATOM 0 H LYS A 114 -2.705 10.127 1.084 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.846 11.335 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.574 9.206 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.130 10.075 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.811 11.265 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.253 10.403 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.873 8.244 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.370 9.070 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.321 8.544 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.126 10.279 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.569 9.230 -2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.447 10.497 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.905 8.893 -2.541 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.401 12.882 1.676 1.00 0.00 N ATOM 1891 CA ASP A 115 -4.927 14.094 2.286 1.00 0.00 C ATOM 1892 C ASP A 115 -4.341 15.329 1.623 1.00 0.00 C ATOM 1893 O ASP A 115 -5.082 16.187 1.167 1.00 0.00 O ATOM 1894 CB ASP A 115 -4.620 14.116 3.785 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.396 15.186 4.532 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -4.895 16.322 4.650 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -6.502 14.877 5.037 1.00 0.00 O ATOM 0 H ASP A 115 -3.886 12.278 2.317 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.008 14.100 2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.852 13.141 4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.552 14.281 3.930 1.00 0.00 H new ATOM 1902 N GLU A 116 -3.012 15.397 1.529 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.348 16.555 0.940 1.00 0.00 C ATOM 1904 C GLU A 116 -2.641 16.673 -0.557 1.00 0.00 C ATOM 1905 O GLU A 116 -2.716 17.784 -1.093 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.835 16.511 1.176 1.00 0.00 C ATOM 1907 CG GLU A 116 -0.139 15.302 0.572 1.00 0.00 C ATOM 1908 CD GLU A 116 1.357 15.502 0.446 1.00 0.00 C ATOM 1909 OE1 GLU A 116 2.084 15.204 1.409 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.800 16.009 -0.608 1.00 0.00 O ATOM 0 H GLU A 116 -2.379 14.666 1.852 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.752 17.437 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.389 17.416 0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.647 16.524 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.335 14.426 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.560 15.098 -0.412 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.811 15.532 -1.223 1.00 0.00 N ATOM 1918 CA ILE A 117 -3.145 15.513 -2.644 1.00 0.00 C ATOM 1919 C ILE A 117 -4.429 16.298 -2.904 1.00 0.00 C ATOM 1920 O ILE A 117 -4.530 17.037 -3.884 1.00 0.00 O ATOM 1921 CB ILE A 117 -3.291 14.068 -3.179 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.941 13.348 -3.144 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -3.851 14.073 -4.595 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -2.010 11.902 -3.590 1.00 0.00 C ATOM 0 H ILE A 117 -2.723 14.608 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 117 -2.321 15.987 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.989 13.533 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -1.238 13.883 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.544 13.387 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.946 13.048 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -4.831 14.550 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -3.178 14.625 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -1.016 11.458 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.688 11.352 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -2.376 11.855 -4.616 1.00 0.00 H new ATOM 1936 N ALA A 118 -5.401 16.158 -2.009 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.651 16.901 -2.124 1.00 0.00 C ATOM 1938 C ALA A 118 -6.600 18.194 -1.313 1.00 0.00 C ATOM 1939 O ALA A 118 -7.399 19.107 -1.525 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.824 16.042 -1.678 1.00 0.00 C ATOM 0 H ALA A 118 -5.348 15.540 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.789 17.165 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.748 16.612 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.882 15.152 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.683 15.745 -0.639 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.650 18.261 -0.393 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.504 19.400 0.508 1.00 0.00 C ATOM 1948 C ARG A 119 -4.942 20.603 -0.241 1.00 0.00 C ATOM 1949 O ARG A 119 -5.537 21.681 -0.233 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.582 19.020 1.673 1.00 0.00 C ATOM 1951 CG ARG A 119 -5.024 19.555 3.026 1.00 0.00 C ATOM 1952 CD ARG A 119 -6.360 18.952 3.435 1.00 0.00 C ATOM 1953 NE ARG A 119 -6.590 19.026 4.878 1.00 0.00 N ATOM 1954 CZ ARG A 119 -7.501 18.294 5.521 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -8.302 17.485 4.843 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -7.607 18.372 6.842 1.00 0.00 N ATOM 0 H ARG A 119 -4.956 17.527 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.484 19.669 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.517 17.933 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.578 19.388 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.270 19.323 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.108 20.641 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.164 19.473 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -6.397 17.910 3.117 1.00 0.00 H new ATOM 0 HE ARG A 119 -6.022 19.674 5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.222 17.421 3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.998 16.926 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -6.991 18.993 7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.304 17.811 7.332 1.00 0.00 H new ATOM 1970 N GLU A 120 -3.797 20.417 -0.887 1.00 0.00 N ATOM 1971 CA GLU A 120 -3.204 21.478 -1.691 1.00 0.00 C ATOM 1972 C GLU A 120 -3.761 21.435 -3.106 1.00 0.00 C ATOM 1973 O GLU A 120 -4.064 22.475 -3.695 1.00 0.00 O ATOM 1974 CB GLU A 120 -1.681 21.365 -1.717 1.00 0.00 C ATOM 1975 CG GLU A 120 -1.029 21.598 -0.365 1.00 0.00 C ATOM 1976 CD GLU A 120 0.480 21.667 -0.457 1.00 0.00 C ATOM 1977 OE1 GLU A 120 1.131 20.609 -0.380 1.00 0.00 O ATOM 1978 OE2 GLU A 120 1.020 22.782 -0.616 1.00 0.00 O ATOM 0 H GLU A 120 -3.264 19.548 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.462 22.434 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.405 20.374 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.284 22.086 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.407 22.527 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.313 20.795 0.315 1.00 0.00 H new ATOM 1985 N ASP A 121 -3.886 20.215 -3.626 1.00 0.00 N ATOM 1986 CA ASP A 121 -4.480 19.956 -4.937 1.00 0.00 C ATOM 1987 C ASP A 121 -3.755 20.694 -6.061 1.00 0.00 C ATOM 1988 O ASP A 121 -4.103 21.822 -6.415 1.00 0.00 O ATOM 1989 CB ASP A 121 -5.971 20.317 -4.935 1.00 0.00 C ATOM 1990 CG ASP A 121 -6.634 20.060 -6.272 1.00 0.00 C ATOM 1991 OD1 ASP A 121 -6.789 18.876 -6.646 1.00 0.00 O ATOM 1992 OD2 ASP A 121 -7.022 21.038 -6.944 1.00 0.00 O ATOM 0 H ASP A 121 -3.575 19.371 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 121 -4.371 18.889 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -6.480 19.739 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -6.086 21.369 -4.673 1.00 0.00 H new ATOM 1997 N SER A 122 -2.728 20.056 -6.605 1.00 0.00 N ATOM 1998 CA SER A 122 -2.012 20.593 -7.753 1.00 0.00 C ATOM 1999 C SER A 122 -1.223 19.484 -8.446 1.00 0.00 C ATOM 2000 O SER A 122 -0.065 19.226 -8.110 1.00 0.00 O ATOM 2001 CB SER A 122 -1.076 21.734 -7.330 1.00 0.00 C ATOM 2002 OG SER A 122 -0.500 22.380 -8.458 1.00 0.00 O ATOM 0 H SER A 122 -2.371 19.162 -6.268 1.00 0.00 H new ATOM 0 HA SER A 122 -2.741 20.997 -8.455 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.631 22.461 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.285 21.340 -6.692 1.00 0.00 H new ATOM 0 HG SER A 122 0.089 23.102 -8.156 1.00 0.00 H new ATOM 2008 N ARG A 123 -1.874 18.799 -9.377 1.00 0.00 N ATOM 2009 CA ARG A 123 -1.226 17.752 -10.163 1.00 0.00 C ATOM 2010 C ARG A 123 -1.641 17.842 -11.628 1.00 0.00 C ATOM 2011 O ARG A 123 -2.223 18.840 -12.059 1.00 0.00 O ATOM 2012 CB ARG A 123 -1.564 16.359 -9.610 1.00 0.00 C ATOM 2013 CG ARG A 123 -0.809 15.981 -8.340 1.00 0.00 C ATOM 2014 CD ARG A 123 0.687 15.798 -8.589 1.00 0.00 C ATOM 2015 NE ARG A 123 1.379 17.070 -8.797 1.00 0.00 N ATOM 2016 CZ ARG A 123 2.602 17.186 -9.318 1.00 0.00 C ATOM 2017 NH1 ARG A 123 3.272 16.113 -9.721 1.00 0.00 N ATOM 2018 NH2 ARG A 123 3.153 18.387 -9.445 1.00 0.00 N ATOM 0 H ARG A 123 -2.856 18.949 -9.609 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.149 17.903 -10.091 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.634 16.312 -9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.351 15.616 -10.378 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.958 16.755 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -1.223 15.058 -7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 123 1.133 15.280 -7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 123 0.832 15.162 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 123 0.894 17.925 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.852 15.187 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 123 4.206 16.214 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 123 2.642 19.217 -9.145 1.00 0.00 H new ATOM 0 HH22 ARG A 123 4.088 18.480 -9.843 1.00 0.00 H new TER 2032 ARG A 123