USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 659 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 0.81 K(o=2.4,f=-2.6) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.438 K(o=2.4,f=-2.5!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 1.24 K(o=2.4,f=-3.2!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -0.0927 (180deg=-0.479) USER MOD Set 2.1: A 20 SER OG : rot -77:sc= 1.98 USER MOD Set 2.2: A 21 THR OG1 : rot 80:sc= 0.624 USER MOD Set 2.3: A 33 THR OG1 : rot 130:sc= 2.9 USER MOD Set 3.1: A 15 HIS : no HE2:sc= -2.1 K(o=-0.45,f=-16!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ -152:sc= 1.65 (180deg=0.921) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 81:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 139:sc= 1.15 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.054 USER MOD Single : A 13 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.26) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.04) USER MOD Single : A 16 ASN : amide:sc= 0.731 K(o=0.73,f=-2.4!) USER MOD Single : A 17 ASN : amide:sc= 0.415 K(o=0.42,f=-4.2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 26 HIS : no HE2:sc= -0.208 X(o=-0.21,f=-0.058) USER MOD Single : A 27 TYR OH : rot -151:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ -135:sc= 2.41 (180deg=-0.0522) USER MOD Single : A 30 TYR OH : rot 24:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 16:sc= 1.16 USER MOD Single : A 64 SER OG : rot 66:sc= 0.756 USER MOD Single : A 65 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 71 SER OG : rot -65:sc= 2.03 USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= 0.68 (180deg=-3.13!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 80 HIS : no HD1:sc= -0.628 X(o=-0.63,f=-0.8) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.516 (180deg=-1.46) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.713 (180deg=-3.4!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.108 (180deg=-0.108) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -6.168 21.004 3.674 1.00 10.00 N ATOM 2 CA ALA A 3 -7.089 19.873 3.467 1.00 10.00 C ATOM 3 C ALA A 3 -6.272 18.712 2.915 1.00 10.00 C ATOM 4 O ALA A 3 -5.124 18.944 2.544 1.00 10.00 O ATOM 5 CB ALA A 3 -8.212 20.251 2.493 1.00 10.00 C ATOM 0 HA ALA A 3 -7.561 19.596 4.409 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -8.878 19.399 2.357 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -8.776 21.092 2.897 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.781 20.531 1.532 1.00 10.00 H new ATOM 13 N VAL A 4 -6.849 17.510 2.849 1.00 10.00 N ATOM 14 CA VAL A 4 -6.265 16.409 2.091 1.00 10.00 C ATOM 15 C VAL A 4 -6.622 16.613 0.614 1.00 10.00 C ATOM 16 O VAL A 4 -6.963 17.721 0.201 1.00 10.00 O ATOM 17 CB VAL A 4 -6.746 15.031 2.613 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.564 14.059 2.708 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.463 15.081 3.959 1.00 10.00 C ATOM 0 H VAL A 4 -7.726 17.277 3.316 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.182 16.410 2.214 1.00 10.00 H new ATOM 0 HB VAL A 4 -7.479 14.686 1.884 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.915 13.095 3.076 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.118 13.931 1.722 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -4.818 14.460 3.394 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.765 14.074 4.248 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -6.791 15.489 4.714 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.346 15.715 3.878 1.00 10.00 H new ATOM 29 N LYS A 5 -6.608 15.526 -0.158 1.00 10.00 N ATOM 30 CA LYS A 5 -7.271 15.441 -1.444 1.00 10.00 C ATOM 31 C LYS A 5 -8.309 14.327 -1.363 1.00 10.00 C ATOM 32 O LYS A 5 -9.448 14.511 -1.782 1.00 10.00 O ATOM 33 CB LYS A 5 -6.224 15.206 -2.542 1.00 10.00 C ATOM 34 CG LYS A 5 -6.856 15.120 -3.938 1.00 10.00 C ATOM 35 CD LYS A 5 -5.798 14.842 -5.013 1.00 10.00 C ATOM 36 CE LYS A 5 -4.965 16.081 -5.371 1.00 10.00 C ATOM 37 NZ LYS A 5 -3.958 15.773 -6.407 1.00 10.00 N ATOM 0 H LYS A 5 -6.124 14.668 0.105 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.786 16.368 -1.697 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.494 16.016 -2.525 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -5.682 14.284 -2.333 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -7.607 14.330 -3.951 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -7.371 16.054 -4.164 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -5.133 14.052 -4.664 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -6.290 14.470 -5.912 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -5.623 16.874 -5.726 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -4.467 16.457 -4.477 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -3.412 16.631 -6.626 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -3.316 15.034 -6.058 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -4.436 15.438 -7.267 1.00 10.00 H new ATOM 51 N TYR A 6 -7.889 13.190 -0.806 1.00 10.00 N ATOM 52 CA TYR A 6 -8.626 11.945 -0.802 1.00 10.00 C ATOM 53 C TYR A 6 -8.746 11.355 -2.195 1.00 10.00 C ATOM 54 O TYR A 6 -8.601 12.010 -3.225 1.00 10.00 O ATOM 55 CB TYR A 6 -10.005 12.015 -0.128 1.00 10.00 C ATOM 56 CG TYR A 6 -10.027 11.945 1.371 1.00 10.00 C ATOM 57 CD1 TYR A 6 -10.162 10.685 1.959 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.094 13.101 2.168 1.00 10.00 C ATOM 59 CE1 TYR A 6 -10.201 10.552 3.348 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.181 12.971 3.565 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.173 11.697 4.160 1.00 10.00 C ATOM 62 OH TYR A 6 -9.996 11.582 5.502 1.00 10.00 O ATOM 0 H TYR A 6 -6.990 13.118 -0.329 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.025 11.280 -0.182 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.486 12.945 -0.432 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.615 11.199 -0.516 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.237 9.807 1.334 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.079 14.080 1.711 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -10.253 9.571 3.797 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.254 13.853 4.184 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.043 11.466 5.697 1.00 10.00 H new ATOM 72 N TYR A 7 -8.943 10.049 -2.145 1.00 10.00 N ATOM 73 CA TYR A 7 -8.788 9.105 -3.207 1.00 10.00 C ATOM 74 C TYR A 7 -9.864 8.046 -3.017 1.00 10.00 C ATOM 75 O TYR A 7 -10.041 7.482 -1.943 1.00 10.00 O ATOM 76 CB TYR A 7 -7.383 8.541 -3.024 1.00 10.00 C ATOM 77 CG TYR A 7 -6.248 9.139 -3.846 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.433 10.271 -4.673 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.940 8.780 -3.482 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.357 11.123 -4.962 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.867 9.637 -3.769 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.091 10.852 -4.430 1.00 10.00 C ATOM 83 OH TYR A 7 -3.153 11.841 -4.380 1.00 10.00 O ATOM 0 H TYR A 7 -9.241 9.597 -1.281 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.895 9.517 -4.210 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -7.119 8.642 -1.971 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.423 7.474 -3.241 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.409 10.481 -5.085 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.760 7.841 -2.980 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.505 11.986 -5.594 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.864 9.359 -3.479 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.672 11.793 -3.527 1.00 10.00 H new ATOM 93 N THR A 8 -10.636 7.829 -4.066 1.00 10.00 N ATOM 94 CA THR A 8 -11.809 6.984 -4.031 1.00 10.00 C ATOM 95 C THR A 8 -11.375 5.532 -4.220 1.00 10.00 C ATOM 96 O THR A 8 -10.356 5.268 -4.854 1.00 10.00 O ATOM 97 CB THR A 8 -12.738 7.431 -5.163 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.973 7.572 -6.346 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.357 8.784 -4.813 1.00 10.00 C ATOM 0 H THR A 8 -10.460 8.244 -4.981 1.00 10.00 H new ATOM 0 HA THR A 8 -12.333 7.064 -3.079 1.00 10.00 H new ATOM 0 HB THR A 8 -13.528 6.693 -5.304 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.556 7.857 -7.081 1.00 10.00 H new ATOM 0 HG21 THR A 8 -14.018 9.101 -5.620 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.929 8.695 -3.889 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.566 9.522 -4.680 1.00 10.00 H new ATOM 107 N LEU A 9 -12.157 4.576 -3.718 1.00 10.00 N ATOM 108 CA LEU A 9 -11.911 3.164 -3.984 1.00 10.00 C ATOM 109 C LEU A 9 -11.830 2.902 -5.486 1.00 10.00 C ATOM 110 O LEU A 9 -10.956 2.159 -5.919 1.00 10.00 O ATOM 111 CB LEU A 9 -12.935 2.334 -3.215 1.00 10.00 C ATOM 112 CG LEU A 9 -13.006 0.811 -3.401 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.642 0.385 -4.731 1.00 10.00 C ATOM 114 CD2 LEU A 9 -11.650 0.148 -3.129 1.00 10.00 C ATOM 0 H LEU A 9 -12.967 4.757 -3.124 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.935 2.850 -3.615 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.768 2.521 -2.154 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.920 2.733 -3.458 1.00 10.00 H new ATOM 0 HG LEU A 9 -13.694 0.435 -2.643 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.659 -0.703 -4.794 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -14.661 0.768 -4.786 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -13.058 0.787 -5.559 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -11.737 -0.929 -3.270 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.906 0.545 -3.819 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -11.342 0.356 -2.104 1.00 10.00 H new ATOM 126 N GLU A 10 -12.663 3.584 -6.279 1.00 10.00 N ATOM 127 CA GLU A 10 -12.545 3.642 -7.733 1.00 10.00 C ATOM 128 C GLU A 10 -11.076 3.776 -8.156 1.00 10.00 C ATOM 129 O GLU A 10 -10.540 2.898 -8.831 1.00 10.00 O ATOM 130 CB GLU A 10 -13.381 4.824 -8.248 1.00 10.00 C ATOM 131 CG GLU A 10 -13.467 4.912 -9.779 1.00 10.00 C ATOM 132 CD GLU A 10 -14.206 3.733 -10.398 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.348 3.482 -9.965 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.611 3.100 -11.301 1.00 10.00 O ATOM 0 H GLU A 10 -13.452 4.120 -5.918 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.922 2.717 -8.169 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.390 4.746 -7.842 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.954 5.751 -7.865 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.971 5.837 -10.057 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.460 4.961 -10.193 1.00 10.00 H new ATOM 141 N GLU A 11 -10.423 4.862 -7.729 1.00 10.00 N ATOM 142 CA GLU A 11 -9.018 5.106 -8.031 1.00 10.00 C ATOM 143 C GLU A 11 -8.154 4.011 -7.433 1.00 10.00 C ATOM 144 O GLU A 11 -7.245 3.486 -8.077 1.00 10.00 O ATOM 145 CB GLU A 11 -8.556 6.454 -7.450 1.00 10.00 C ATOM 146 CG GLU A 11 -8.925 7.647 -8.334 1.00 10.00 C ATOM 147 CD GLU A 11 -8.031 7.713 -9.569 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.929 8.287 -9.435 1.00 10.00 O ATOM 149 OE2 GLU A 11 -8.447 7.168 -10.614 1.00 10.00 O ATOM 0 H GLU A 11 -10.857 5.593 -7.165 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.913 5.120 -9.116 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -9.000 6.589 -6.464 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.475 6.432 -7.312 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.968 7.568 -8.640 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.830 8.570 -7.763 1.00 10.00 H new ATOM 156 N ILE A 12 -8.392 3.712 -6.160 1.00 10.00 N ATOM 157 CA ILE A 12 -7.472 2.889 -5.416 1.00 10.00 C ATOM 158 C ILE A 12 -7.382 1.505 -6.049 1.00 10.00 C ATOM 159 O ILE A 12 -6.278 1.000 -6.240 1.00 10.00 O ATOM 160 CB ILE A 12 -7.822 2.883 -3.918 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.686 4.290 -3.308 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.894 1.937 -3.162 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.539 4.475 -2.057 1.00 10.00 C ATOM 0 H ILE A 12 -9.208 4.028 -5.635 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.469 3.313 -5.469 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.856 2.550 -3.826 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.641 4.475 -3.060 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.973 5.033 -4.052 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.153 1.943 -2.103 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.004 0.927 -3.557 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.862 2.265 -3.285 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.403 5.485 -1.670 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.589 4.320 -2.306 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.235 3.753 -1.299 1.00 10.00 H new ATOM 175 N GLN A 13 -8.519 0.924 -6.441 1.00 10.00 N ATOM 176 CA GLN A 13 -8.519 -0.379 -7.100 1.00 10.00 C ATOM 177 C GLN A 13 -7.706 -0.294 -8.382 1.00 10.00 C ATOM 178 O GLN A 13 -6.864 -1.142 -8.669 1.00 10.00 O ATOM 179 CB GLN A 13 -9.934 -0.818 -7.499 1.00 10.00 C ATOM 180 CG GLN A 13 -10.769 -1.340 -6.333 1.00 10.00 C ATOM 181 CD GLN A 13 -12.081 -1.954 -6.815 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.676 -2.716 -6.023 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.460 -1.666 -7.972 1.00 10.00 N ATOM 0 H GLN A 13 -9.444 1.334 -6.313 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.099 -1.096 -6.394 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.451 0.026 -7.955 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.862 -1.596 -8.259 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.198 -2.086 -5.781 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.980 -0.524 -5.641 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.906 -1.032 -8.547 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.323 -2.065 -8.340 1.00 10.00 H new ATOM 190 N LYS A 14 -8.005 0.745 -9.165 1.00 10.00 N ATOM 191 CA LYS A 14 -7.370 1.032 -10.434 1.00 10.00 C ATOM 192 C LYS A 14 -5.851 0.967 -10.264 1.00 10.00 C ATOM 193 O LYS A 14 -5.132 0.345 -11.050 1.00 10.00 O ATOM 194 CB LYS A 14 -7.824 2.438 -10.854 1.00 10.00 C ATOM 195 CG LYS A 14 -8.094 2.606 -12.355 1.00 10.00 C ATOM 196 CD LYS A 14 -9.348 1.844 -12.833 1.00 10.00 C ATOM 197 CE LYS A 14 -10.567 2.113 -11.930 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.845 1.667 -12.512 1.00 10.00 N ATOM 0 H LYS A 14 -8.721 1.427 -8.916 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.648 0.308 -11.200 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.732 2.690 -10.306 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.060 3.156 -10.554 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.212 3.666 -12.581 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.227 2.255 -12.916 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.583 2.138 -13.856 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.138 0.775 -12.849 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.418 1.610 -10.974 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.626 3.181 -11.722 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.630 1.969 -11.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.961 2.086 -13.457 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.847 0.630 -12.591 1.00 10.00 H new ATOM 212 N HIS A 15 -5.370 1.623 -9.210 1.00 10.00 N ATOM 213 CA HIS A 15 -3.979 1.652 -8.815 1.00 10.00 C ATOM 214 C HIS A 15 -3.495 0.314 -8.230 1.00 10.00 C ATOM 215 O HIS A 15 -3.127 0.193 -7.063 1.00 10.00 O ATOM 216 CB HIS A 15 -3.789 2.817 -7.853 1.00 10.00 C ATOM 217 CG HIS A 15 -3.392 4.100 -8.521 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.092 4.521 -8.629 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.195 5.054 -9.088 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.100 5.732 -9.195 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.350 6.074 -9.564 1.00 10.00 N ATOM 0 H HIS A 15 -5.969 2.167 -8.589 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.356 1.801 -9.697 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.717 2.977 -7.304 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.027 2.550 -7.120 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.266 4.003 -8.331 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.273 5.028 -9.157 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.226 6.350 -9.337 1.00 10.00 H new ATOM 229 N ASN A 16 -3.397 -0.687 -9.098 1.00 10.00 N ATOM 230 CA ASN A 16 -2.701 -1.944 -8.821 1.00 10.00 C ATOM 231 C ASN A 16 -2.108 -2.542 -10.100 1.00 10.00 C ATOM 232 O ASN A 16 -2.005 -3.759 -10.274 1.00 10.00 O ATOM 233 CB ASN A 16 -3.577 -2.898 -8.000 1.00 10.00 C ATOM 234 CG ASN A 16 -4.777 -3.482 -8.734 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.932 -3.326 -9.944 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.627 -4.184 -7.989 1.00 10.00 N ATOM 0 H ASN A 16 -3.806 -0.649 -10.032 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.840 -1.744 -8.183 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.955 -3.720 -7.645 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.936 -2.366 -7.119 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.444 -4.617 -8.419 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.461 -4.289 -6.988 1.00 10.00 H new ATOM 243 N ASN A 17 -1.638 -1.656 -10.979 1.00 10.00 N ATOM 244 CA ASN A 17 -0.902 -1.941 -12.197 1.00 10.00 C ATOM 245 C ASN A 17 0.076 -0.781 -12.381 1.00 10.00 C ATOM 246 O ASN A 17 0.247 0.010 -11.458 1.00 10.00 O ATOM 247 CB ASN A 17 -1.876 -2.099 -13.377 1.00 10.00 C ATOM 248 CG ASN A 17 -2.480 -0.768 -13.821 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.911 -0.076 -14.660 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.612 -0.368 -13.255 1.00 10.00 N ATOM 0 H ASN A 17 -1.774 -0.654 -10.843 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.351 -2.880 -12.144 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -1.352 -2.555 -14.217 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.677 -2.781 -13.093 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -4.024 0.528 -13.515 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.070 -0.957 -12.560 1.00 10.00 H new ATOM 257 N SER A 18 0.675 -0.651 -13.564 1.00 10.00 N ATOM 258 CA SER A 18 1.581 0.420 -13.969 1.00 10.00 C ATOM 259 C SER A 18 1.089 1.820 -13.575 1.00 10.00 C ATOM 260 O SER A 18 1.892 2.691 -13.253 1.00 10.00 O ATOM 261 CB SER A 18 1.765 0.309 -15.483 1.00 10.00 C ATOM 262 OG SER A 18 1.913 -1.058 -15.828 1.00 10.00 O ATOM 0 H SER A 18 0.531 -1.332 -14.309 1.00 10.00 H new ATOM 0 HA SER A 18 2.528 0.298 -13.443 1.00 10.00 H new ATOM 0 HB2 SER A 18 0.906 0.737 -16.000 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.642 0.875 -15.799 1.00 10.00 H new ATOM 0 HG SER A 18 2.030 -1.140 -16.798 1.00 10.00 H new ATOM 268 N LYS A 19 -0.235 2.020 -13.588 1.00 10.00 N ATOM 269 CA LYS A 19 -0.952 3.145 -12.986 1.00 10.00 C ATOM 270 C LYS A 19 -0.301 3.639 -11.689 1.00 10.00 C ATOM 271 O LYS A 19 -0.235 4.846 -11.448 1.00 10.00 O ATOM 272 CB LYS A 19 -2.365 2.637 -12.692 1.00 10.00 C ATOM 273 CG LYS A 19 -3.369 3.631 -12.100 1.00 10.00 C ATOM 274 CD LYS A 19 -3.918 4.732 -13.024 1.00 10.00 C ATOM 275 CE LYS A 19 -3.011 5.943 -13.302 1.00 10.00 C ATOM 276 NZ LYS A 19 -2.356 6.472 -12.089 1.00 10.00 N ATOM 0 H LYS A 19 -0.867 1.363 -14.045 1.00 10.00 H new ATOM 0 HA LYS A 19 -0.942 3.994 -13.670 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -2.783 2.251 -13.622 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.283 1.794 -12.006 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -4.216 3.063 -11.716 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -2.897 4.116 -11.246 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -4.170 4.274 -13.980 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -4.848 5.101 -12.592 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -2.246 5.657 -14.024 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -3.604 6.734 -13.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -2.168 7.488 -12.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -2.979 6.331 -11.268 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -1.459 5.970 -11.932 1.00 10.00 H new ATOM 290 N SER A 20 0.098 2.665 -10.874 1.00 10.00 N ATOM 291 CA SER A 20 1.039 2.644 -9.755 1.00 10.00 C ATOM 292 C SER A 20 0.376 1.967 -8.553 1.00 10.00 C ATOM 293 O SER A 20 -0.819 2.128 -8.335 1.00 10.00 O ATOM 294 CB SER A 20 1.700 3.993 -9.433 1.00 10.00 C ATOM 295 OG SER A 20 2.878 3.767 -8.677 1.00 10.00 O ATOM 0 H SER A 20 -0.292 1.732 -11.005 1.00 10.00 H new ATOM 0 HA SER A 20 1.898 2.046 -10.060 1.00 10.00 H new ATOM 0 HB2 SER A 20 1.941 4.522 -10.355 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.010 4.625 -8.874 1.00 10.00 H new ATOM 0 HG SER A 20 2.637 3.558 -7.750 1.00 10.00 H new ATOM 301 N THR A 21 1.132 1.146 -7.830 1.00 10.00 N ATOM 302 CA THR A 21 0.651 0.140 -6.904 1.00 10.00 C ATOM 303 C THR A 21 0.270 0.751 -5.557 1.00 10.00 C ATOM 304 O THR A 21 1.149 1.035 -4.744 1.00 10.00 O ATOM 305 CB THR A 21 1.763 -0.905 -6.744 1.00 10.00 C ATOM 306 OG1 THR A 21 2.352 -1.170 -8.005 1.00 10.00 O ATOM 307 CG2 THR A 21 1.192 -2.198 -6.156 1.00 10.00 C ATOM 0 H THR A 21 2.150 1.170 -7.881 1.00 10.00 H new ATOM 0 HA THR A 21 -0.255 -0.324 -7.294 1.00 10.00 H new ATOM 0 HB THR A 21 2.522 -0.515 -6.065 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.996 -0.463 -8.220 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.991 -2.932 -6.047 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.754 -1.991 -5.180 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.425 -2.593 -6.822 1.00 10.00 H new ATOM 315 N TRP A 22 -1.032 0.929 -5.316 1.00 10.00 N ATOM 316 CA TRP A 22 -1.573 1.504 -4.094 1.00 10.00 C ATOM 317 C TRP A 22 -2.018 0.399 -3.152 1.00 10.00 C ATOM 318 O TRP A 22 -2.389 -0.677 -3.604 1.00 10.00 O ATOM 319 CB TRP A 22 -2.751 2.418 -4.438 1.00 10.00 C ATOM 320 CG TRP A 22 -2.366 3.756 -5.005 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.142 4.096 -5.464 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.211 4.905 -5.293 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.168 5.365 -5.989 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.440 5.906 -5.954 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.566 5.190 -5.070 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.011 7.106 -6.411 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.165 6.357 -5.567 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.399 7.298 -6.272 1.00 10.00 C ATOM 0 H TRP A 22 -1.754 0.668 -5.988 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.801 2.091 -3.597 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.392 1.906 -5.155 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.344 2.578 -3.537 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.269 3.462 -5.424 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.350 5.849 -6.359 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.164 4.493 -4.501 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.395 7.869 -6.862 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.219 6.532 -5.407 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.872 8.166 -6.706 1.00 10.00 H new ATOM 339 N LEU A 23 -2.010 0.654 -1.844 1.00 10.00 N ATOM 340 CA LEU A 23 -2.666 -0.194 -0.856 1.00 10.00 C ATOM 341 C LEU A 23 -3.139 0.710 0.277 1.00 10.00 C ATOM 342 O LEU A 23 -2.715 1.867 0.331 1.00 10.00 O ATOM 343 CB LEU A 23 -1.779 -1.353 -0.348 1.00 10.00 C ATOM 344 CG LEU A 23 -0.377 -1.495 -0.963 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.603 -0.713 -0.114 1.00 10.00 C ATOM 346 CD2 LEU A 23 0.129 -2.936 -1.012 1.00 10.00 C ATOM 0 H LEU A 23 -1.542 1.465 -1.439 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.512 -0.697 -1.323 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.664 -1.241 0.730 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.316 -2.286 -0.516 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.450 -1.127 -1.986 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.604 -0.803 -0.537 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.311 0.337 -0.095 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.601 -1.109 0.902 1.00 10.00 H new ATOM 0 HD21 LEU A 23 1.123 -2.958 -1.458 1.00 10.00 H new ATOM 0 HD22 LEU A 23 0.176 -3.340 -0.001 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.551 -3.540 -1.612 1.00 10.00 H new ATOM 358 N ILE A 24 -4.027 0.210 1.148 1.00 10.00 N ATOM 359 CA ILE A 24 -4.625 1.013 2.215 1.00 10.00 C ATOM 360 C ILE A 24 -4.272 0.448 3.595 1.00 10.00 C ATOM 361 O ILE A 24 -4.637 -0.680 3.939 1.00 10.00 O ATOM 362 CB ILE A 24 -6.148 1.169 2.031 1.00 10.00 C ATOM 363 CG1 ILE A 24 -6.617 1.218 0.565 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.649 2.401 2.787 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.136 1.067 0.444 1.00 10.00 C ATOM 0 H ILE A 24 -4.347 -0.758 1.130 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.198 2.014 2.151 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.586 0.262 2.448 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.310 2.163 0.117 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.128 0.424 0.001 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.726 2.500 2.649 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.428 2.291 3.849 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.151 3.291 2.403 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.423 1.107 -0.607 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.441 0.110 0.867 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.626 1.876 0.985 1.00 10.00 H new ATOM 377 N LEU A 25 -3.547 1.245 4.385 1.00 10.00 N ATOM 378 CA LEU A 25 -3.055 0.903 5.714 1.00 10.00 C ATOM 379 C LEU A 25 -3.572 1.983 6.680 1.00 10.00 C ATOM 380 O LEU A 25 -2.935 3.018 6.859 1.00 10.00 O ATOM 381 CB LEU A 25 -1.518 0.794 5.700 1.00 10.00 C ATOM 382 CG LEU A 25 -0.885 -0.537 5.245 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.360 -1.025 3.875 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.638 -0.356 5.159 1.00 10.00 C ATOM 0 H LEU A 25 -3.278 2.186 4.099 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.419 -0.070 6.043 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.134 1.583 5.053 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.160 1.005 6.708 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.189 -1.280 5.982 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.866 -1.966 3.633 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.439 -1.177 3.897 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.114 -0.280 3.118 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.098 -1.291 4.838 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.871 0.429 4.439 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.027 -0.078 6.138 1.00 10.00 H new ATOM 396 N HIS A 26 -4.743 1.757 7.287 1.00 10.00 N ATOM 397 CA HIS A 26 -5.436 2.671 8.202 1.00 10.00 C ATOM 398 C HIS A 26 -6.115 3.809 7.430 1.00 10.00 C ATOM 399 O HIS A 26 -5.972 4.988 7.769 1.00 10.00 O ATOM 400 CB HIS A 26 -4.519 3.205 9.319 1.00 10.00 C ATOM 401 CG HIS A 26 -3.714 2.152 10.039 1.00 10.00 C ATOM 402 ND1 HIS A 26 -4.115 1.454 11.156 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.424 1.781 9.756 1.00 10.00 C ATOM 404 CE1 HIS A 26 -3.087 0.676 11.534 1.00 10.00 C ATOM 405 NE2 HIS A 26 -2.040 0.838 10.709 1.00 10.00 N ATOM 0 H HIS A 26 -5.259 0.888 7.146 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.213 2.092 8.702 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.833 3.934 8.888 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.131 3.735 10.049 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -5.025 1.516 11.612 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.817 2.152 8.943 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -3.101 0.011 12.385 1.00 10.00 H new ATOM 413 N TYR A 27 -6.830 3.464 6.356 1.00 10.00 N ATOM 414 CA TYR A 27 -7.524 4.382 5.448 1.00 10.00 C ATOM 415 C TYR A 27 -6.581 5.274 4.635 1.00 10.00 C ATOM 416 O TYR A 27 -6.896 5.586 3.494 1.00 10.00 O ATOM 417 CB TYR A 27 -8.641 5.181 6.136 1.00 10.00 C ATOM 418 CG TYR A 27 -9.806 4.391 6.717 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.963 3.004 6.501 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.810 5.091 7.410 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.075 2.326 7.025 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.874 4.400 8.004 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.039 3.029 7.763 1.00 10.00 C ATOM 424 OH TYR A 27 -13.180 2.402 8.156 1.00 10.00 O ATOM 0 H TYR A 27 -6.947 2.488 6.082 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.015 3.736 4.720 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.193 5.763 6.941 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.042 5.892 5.413 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.224 2.462 5.930 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.760 6.167 7.485 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.188 1.265 6.860 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.566 4.923 8.647 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.905 3.057 8.227 1.00 10.00 H new ATOM 434 N LYS A 28 -5.417 5.656 5.162 1.00 10.00 N ATOM 435 CA LYS A 28 -4.340 6.217 4.360 1.00 10.00 C ATOM 436 C LYS A 28 -4.051 5.300 3.171 1.00 10.00 C ATOM 437 O LYS A 28 -4.191 4.083 3.289 1.00 10.00 O ATOM 438 CB LYS A 28 -3.097 6.403 5.245 1.00 10.00 C ATOM 439 CG LYS A 28 -2.902 7.813 5.802 1.00 10.00 C ATOM 440 CD LYS A 28 -4.163 8.363 6.450 1.00 10.00 C ATOM 441 CE LYS A 28 -4.513 7.828 7.842 1.00 10.00 C ATOM 442 NZ LYS A 28 -5.978 7.676 7.978 1.00 10.00 N ATOM 0 H LYS A 28 -5.199 5.584 6.156 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.630 7.191 3.966 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.157 5.705 6.080 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.214 6.133 4.666 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.096 7.802 6.535 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.591 8.479 4.997 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.066 9.447 6.517 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.003 8.159 5.786 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.024 6.867 8.004 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.138 8.509 8.606 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.283 8.058 8.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.453 8.195 7.212 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.229 6.668 7.922 1.00 10.00 H new ATOM 456 N VAL A 29 -3.653 5.895 2.044 1.00 10.00 N ATOM 457 CA VAL A 29 -3.352 5.219 0.792 1.00 10.00 C ATOM 458 C VAL A 29 -1.855 5.369 0.515 1.00 10.00 C ATOM 459 O VAL A 29 -1.281 6.437 0.745 1.00 10.00 O ATOM 460 CB VAL A 29 -4.213 5.813 -0.327 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.844 5.247 -1.693 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.690 5.480 -0.118 1.00 10.00 C ATOM 0 H VAL A 29 -3.528 6.905 1.983 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.586 4.156 0.849 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.035 6.888 -0.295 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.479 5.696 -2.457 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.800 5.473 -1.911 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.988 4.167 -1.690 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.279 5.914 -0.926 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.822 4.398 -0.113 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.024 5.891 0.835 1.00 10.00 H new ATOM 472 N TYR A 30 -1.238 4.269 0.074 1.00 10.00 N ATOM 473 CA TYR A 30 0.192 4.022 0.136 1.00 10.00 C ATOM 474 C TYR A 30 0.663 3.538 -1.232 1.00 10.00 C ATOM 475 O TYR A 30 0.322 2.416 -1.598 1.00 10.00 O ATOM 476 CB TYR A 30 0.394 2.922 1.187 1.00 10.00 C ATOM 477 CG TYR A 30 0.187 3.395 2.612 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.120 3.529 3.101 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.267 3.735 3.445 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.339 3.889 4.431 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.034 4.102 4.785 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.267 4.100 5.299 1.00 10.00 C ATOM 483 OH TYR A 30 -0.496 4.285 6.629 1.00 10.00 O ATOM 0 H TYR A 30 -1.750 3.497 -0.353 1.00 10.00 H new ATOM 0 HA TYR A 30 0.756 4.917 0.400 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.296 2.104 0.981 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.402 2.520 1.090 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.960 3.353 2.446 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.275 3.715 3.058 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.350 4.006 4.793 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.862 4.386 5.417 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.354 3.879 6.873 1.00 10.00 H new ATOM 493 N ASP A 31 1.425 4.355 -1.974 1.00 10.00 N ATOM 494 CA ASP A 31 1.944 3.985 -3.295 1.00 10.00 C ATOM 495 C ASP A 31 3.354 3.445 -3.150 1.00 10.00 C ATOM 496 O ASP A 31 4.205 4.140 -2.592 1.00 10.00 O ATOM 497 CB ASP A 31 1.997 5.181 -4.246 1.00 10.00 C ATOM 498 CG ASP A 31 2.115 4.774 -5.712 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.861 3.817 -6.019 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.424 5.409 -6.540 1.00 10.00 O ATOM 0 H ASP A 31 1.698 5.291 -1.673 1.00 10.00 H new ATOM 0 HA ASP A 31 1.269 3.235 -3.709 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.098 5.783 -4.113 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.846 5.812 -3.981 1.00 10.00 H new ATOM 505 N LEU A 32 3.618 2.232 -3.637 1.00 10.00 N ATOM 506 CA LEU A 32 4.939 1.639 -3.461 1.00 10.00 C ATOM 507 C LEU A 32 5.336 0.596 -4.492 1.00 10.00 C ATOM 508 O LEU A 32 6.037 -0.372 -4.189 1.00 10.00 O ATOM 509 CB LEU A 32 5.128 1.187 -2.015 1.00 10.00 C ATOM 510 CG LEU A 32 4.037 0.310 -1.385 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.541 -1.119 -1.169 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.724 0.896 -0.006 1.00 10.00 C ATOM 0 H LEU A 32 2.949 1.653 -4.145 1.00 10.00 H new ATOM 0 HA LEU A 32 5.657 2.433 -3.665 1.00 10.00 H new ATOM 0 HB2 LEU A 32 6.070 0.642 -1.956 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.237 2.079 -1.398 1.00 10.00 H new ATOM 0 HG LEU A 32 3.168 0.289 -2.042 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.750 -1.720 -0.722 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.828 -1.552 -2.127 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.405 -1.104 -0.504 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.950 0.299 0.476 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.625 0.885 0.607 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.373 1.922 -0.118 1.00 10.00 H new ATOM 524 N THR A 33 5.010 0.895 -5.745 1.00 10.00 N ATOM 525 CA THR A 33 5.512 0.170 -6.919 1.00 10.00 C ATOM 526 C THR A 33 7.016 -0.096 -6.795 1.00 10.00 C ATOM 527 O THR A 33 7.475 -1.218 -6.971 1.00 10.00 O ATOM 528 CB THR A 33 5.225 0.967 -8.197 1.00 10.00 C ATOM 529 OG1 THR A 33 3.848 1.241 -8.250 1.00 10.00 O ATOM 530 CG2 THR A 33 5.591 0.187 -9.463 1.00 10.00 C ATOM 0 H THR A 33 4.379 1.660 -5.983 1.00 10.00 H new ATOM 0 HA THR A 33 4.996 -0.789 -6.973 1.00 10.00 H new ATOM 0 HB THR A 33 5.828 1.875 -8.163 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.711 2.195 -8.425 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.369 0.794 -10.341 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.654 -0.054 -9.447 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.011 -0.735 -9.503 1.00 10.00 H new ATOM 538 N LYS A 34 7.791 0.941 -6.470 1.00 10.00 N ATOM 539 CA LYS A 34 9.243 0.838 -6.415 1.00 10.00 C ATOM 540 C LYS A 34 9.714 -0.111 -5.307 1.00 10.00 C ATOM 541 O LYS A 34 10.831 -0.616 -5.358 1.00 10.00 O ATOM 542 CB LYS A 34 9.868 2.235 -6.286 1.00 10.00 C ATOM 543 CG LYS A 34 9.537 2.949 -4.966 1.00 10.00 C ATOM 544 CD LYS A 34 10.157 4.353 -4.977 1.00 10.00 C ATOM 545 CE LYS A 34 9.878 5.078 -3.652 1.00 10.00 C ATOM 546 NZ LYS A 34 10.431 6.449 -3.640 1.00 10.00 N ATOM 0 H LYS A 34 7.429 1.867 -6.240 1.00 10.00 H new ATOM 0 HA LYS A 34 9.587 0.398 -7.351 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.951 2.147 -6.378 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.526 2.853 -7.117 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.457 3.017 -4.838 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.923 2.376 -4.123 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.233 4.280 -5.138 1.00 10.00 H new ATOM 0 HD3 LYS A 34 9.749 4.930 -5.807 1.00 10.00 H new ATOM 0 HE2 LYS A 34 8.802 5.120 -3.482 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.308 4.507 -2.829 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 10.219 6.901 -2.727 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 11.461 6.409 -3.776 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 10.002 7.003 -4.408 1.00 10.00 H new ATOM 560 N PHE A 35 8.879 -0.327 -4.287 1.00 10.00 N ATOM 561 CA PHE A 35 9.226 -1.166 -3.154 1.00 10.00 C ATOM 562 C PHE A 35 8.916 -2.627 -3.458 1.00 10.00 C ATOM 563 O PHE A 35 9.555 -3.506 -2.896 1.00 10.00 O ATOM 564 CB PHE A 35 8.441 -0.708 -1.925 1.00 10.00 C ATOM 565 CG PHE A 35 9.154 -1.008 -0.625 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.240 -0.199 -0.239 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.893 -2.201 0.074 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.995 -0.520 0.899 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.704 -2.559 1.165 1.00 10.00 C ATOM 570 CZ PHE A 35 10.713 -1.693 1.613 1.00 10.00 C ATOM 0 H PHE A 35 7.945 0.078 -4.230 1.00 10.00 H new ATOM 0 HA PHE A 35 10.294 -1.075 -2.958 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.260 0.365 -1.995 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.466 -1.196 -1.920 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.493 0.674 -0.823 1.00 10.00 H new ATOM 0 HD2 PHE A 35 8.074 -2.838 -0.226 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.791 0.134 1.224 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.550 -3.506 1.661 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.272 -1.930 2.507 1.00 10.00 H new ATOM 580 N LEU A 36 7.944 -2.891 -4.338 1.00 10.00 N ATOM 581 CA LEU A 36 7.547 -4.238 -4.745 1.00 10.00 C ATOM 582 C LEU A 36 8.767 -5.135 -4.987 1.00 10.00 C ATOM 583 O LEU A 36 8.806 -6.278 -4.537 1.00 10.00 O ATOM 584 CB LEU A 36 6.722 -4.161 -6.039 1.00 10.00 C ATOM 585 CG LEU A 36 5.355 -3.477 -5.974 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.806 -3.553 -7.405 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.358 -4.146 -5.016 1.00 10.00 C ATOM 0 H LEU A 36 7.402 -2.158 -4.795 1.00 10.00 H new ATOM 0 HA LEU A 36 6.954 -4.670 -3.939 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.321 -3.642 -6.788 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.571 -5.178 -6.401 1.00 10.00 H new ATOM 0 HG LEU A 36 5.478 -2.464 -5.592 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.824 -3.082 -7.443 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.484 -3.034 -8.083 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.720 -4.597 -7.707 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.416 -3.598 -5.031 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.185 -5.175 -5.332 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.765 -4.140 -4.005 1.00 10.00 H new ATOM 599 N GLU A 37 9.755 -4.594 -5.705 1.00 10.00 N ATOM 600 CA GLU A 37 10.983 -5.287 -6.070 1.00 10.00 C ATOM 601 C GLU A 37 11.873 -5.549 -4.845 1.00 10.00 C ATOM 602 O GLU A 37 12.523 -6.587 -4.752 1.00 10.00 O ATOM 603 CB GLU A 37 11.719 -4.445 -7.128 1.00 10.00 C ATOM 604 CG GLU A 37 12.298 -5.332 -8.233 1.00 10.00 C ATOM 605 CD GLU A 37 13.100 -4.538 -9.260 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.805 -3.334 -9.414 1.00 10.00 O ATOM 607 OE2 GLU A 37 13.994 -5.156 -9.876 1.00 10.00 O ATOM 0 H GLU A 37 9.717 -3.637 -6.055 1.00 10.00 H new ATOM 0 HA GLU A 37 10.737 -6.265 -6.484 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.031 -3.720 -7.563 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.521 -3.879 -6.654 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.938 -6.092 -7.786 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.486 -5.856 -8.737 1.00 10.00 H new ATOM 614 N GLU A 38 11.918 -4.586 -3.921 1.00 10.00 N ATOM 615 CA GLU A 38 12.727 -4.633 -2.709 1.00 10.00 C ATOM 616 C GLU A 38 12.159 -5.689 -1.754 1.00 10.00 C ATOM 617 O GLU A 38 12.884 -6.519 -1.208 1.00 10.00 O ATOM 618 CB GLU A 38 12.729 -3.219 -2.090 1.00 10.00 C ATOM 619 CG GLU A 38 13.799 -2.991 -1.010 1.00 10.00 C ATOM 620 CD GLU A 38 13.307 -3.199 0.422 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.436 -4.070 0.627 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.806 -2.459 1.297 1.00 10.00 O ATOM 0 H GLU A 38 11.374 -3.727 -4.002 1.00 10.00 H new ATOM 0 HA GLU A 38 13.756 -4.922 -2.924 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.875 -2.489 -2.886 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.748 -3.026 -1.656 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.634 -3.666 -1.196 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.183 -1.975 -1.105 1.00 10.00 H new ATOM 629 N HIS A 39 10.838 -5.626 -1.582 1.00 10.00 N ATOM 630 CA HIS A 39 10.077 -6.263 -0.529 1.00 10.00 C ATOM 631 C HIS A 39 10.496 -7.717 -0.262 1.00 10.00 C ATOM 632 O HIS A 39 10.322 -8.556 -1.143 1.00 10.00 O ATOM 633 CB HIS A 39 8.593 -6.192 -0.909 1.00 10.00 C ATOM 634 CG HIS A 39 7.703 -6.643 0.212 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.748 -7.633 0.168 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.705 -6.116 1.473 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.188 -7.675 1.388 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.737 -6.776 2.221 1.00 10.00 N ATOM 0 H HIS A 39 10.243 -5.094 -2.218 1.00 10.00 H new ATOM 0 HA HIS A 39 10.273 -5.730 0.401 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.338 -5.169 -1.185 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.413 -6.813 -1.787 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.512 -8.219 -0.633 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.348 -5.324 1.827 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.392 -8.350 1.666 1.00 10.00 H new ATOM 646 N PRO A 40 10.948 -8.066 0.957 1.00 10.00 N ATOM 647 CA PRO A 40 11.207 -9.446 1.354 1.00 10.00 C ATOM 648 C PRO A 40 10.018 -10.385 1.115 1.00 10.00 C ATOM 649 O PRO A 40 10.200 -11.511 0.665 1.00 10.00 O ATOM 650 CB PRO A 40 11.596 -9.380 2.833 1.00 10.00 C ATOM 651 CG PRO A 40 12.248 -8.002 2.932 1.00 10.00 C ATOM 652 CD PRO A 40 11.366 -7.159 2.012 1.00 10.00 C ATOM 0 HA PRO A 40 12.001 -9.874 0.742 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.728 -9.468 3.487 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.286 -10.178 3.109 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.248 -7.624 3.954 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.286 -8.018 2.599 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.507 -6.756 2.549 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.916 -6.310 1.607 1.00 10.00 H new ATOM 660 N GLY A 41 8.792 -9.925 1.395 1.00 10.00 N ATOM 661 CA GLY A 41 7.580 -10.682 1.094 1.00 10.00 C ATOM 662 C GLY A 41 7.347 -10.866 -0.416 1.00 10.00 C ATOM 663 O GLY A 41 6.479 -11.640 -0.803 1.00 10.00 O ATOM 0 H GLY A 41 8.617 -9.021 1.835 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.642 -11.661 1.569 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.721 -10.171 1.529 1.00 10.00 H new ATOM 667 N GLY A 42 8.068 -10.131 -1.271 1.00 10.00 N ATOM 668 CA GLY A 42 7.872 -10.112 -2.715 1.00 10.00 C ATOM 669 C GLY A 42 6.688 -9.239 -3.103 1.00 10.00 C ATOM 670 O GLY A 42 5.898 -8.818 -2.256 1.00 10.00 O ATOM 0 H GLY A 42 8.823 -9.518 -0.963 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.774 -9.741 -3.201 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.710 -11.128 -3.075 1.00 10.00 H new ATOM 674 N GLU A 43 6.587 -8.954 -4.403 1.00 10.00 N ATOM 675 CA GLU A 43 5.485 -8.194 -4.960 1.00 10.00 C ATOM 676 C GLU A 43 4.178 -8.938 -4.718 1.00 10.00 C ATOM 677 O GLU A 43 3.234 -8.336 -4.224 1.00 10.00 O ATOM 678 CB GLU A 43 5.743 -7.926 -6.452 1.00 10.00 C ATOM 679 CG GLU A 43 4.487 -7.382 -7.155 1.00 10.00 C ATOM 680 CD GLU A 43 4.673 -7.035 -8.625 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.836 -6.985 -9.071 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.624 -6.808 -9.273 1.00 10.00 O ATOM 0 H GLU A 43 7.275 -9.249 -5.096 1.00 10.00 H new ATOM 0 HA GLU A 43 5.404 -7.226 -4.466 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.559 -7.211 -6.558 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.062 -8.848 -6.938 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.692 -8.122 -7.070 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.150 -6.490 -6.626 1.00 10.00 H new ATOM 689 N GLU A 44 4.118 -10.227 -5.067 1.00 10.00 N ATOM 690 CA GLU A 44 2.899 -11.029 -5.073 1.00 10.00 C ATOM 691 C GLU A 44 1.970 -10.705 -3.897 1.00 10.00 C ATOM 692 O GLU A 44 0.807 -10.360 -4.098 1.00 10.00 O ATOM 693 CB GLU A 44 3.259 -12.520 -5.098 1.00 10.00 C ATOM 694 CG GLU A 44 4.114 -12.891 -6.319 1.00 10.00 C ATOM 695 CD GLU A 44 4.271 -14.401 -6.441 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.580 -15.020 -5.400 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.075 -14.905 -7.566 1.00 10.00 O ATOM 0 H GLU A 44 4.941 -10.752 -5.361 1.00 10.00 H new ATOM 0 HA GLU A 44 2.344 -10.777 -5.976 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.799 -12.777 -4.187 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.344 -13.113 -5.104 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.652 -12.496 -7.224 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.096 -12.426 -6.234 1.00 10.00 H new ATOM 704 N VAL A 45 2.496 -10.772 -2.670 1.00 10.00 N ATOM 705 CA VAL A 45 1.707 -10.544 -1.466 1.00 10.00 C ATOM 706 C VAL A 45 1.142 -9.117 -1.441 1.00 10.00 C ATOM 707 O VAL A 45 -0.035 -8.918 -1.152 1.00 10.00 O ATOM 708 CB VAL A 45 2.498 -10.920 -0.194 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.256 -12.239 -0.374 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.524 -9.874 0.245 1.00 10.00 C ATOM 0 H VAL A 45 3.477 -10.985 -2.489 1.00 10.00 H new ATOM 0 HA VAL A 45 0.845 -11.210 -1.483 1.00 10.00 H new ATOM 0 HB VAL A 45 1.730 -10.998 0.575 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.801 -12.473 0.540 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.548 -13.039 -0.589 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.959 -12.145 -1.202 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.033 -10.219 1.145 1.00 10.00 H new ATOM 0 HG22 VAL A 45 4.254 -9.725 -0.550 1.00 10.00 H new ATOM 0 HG23 VAL A 45 3.017 -8.932 0.454 1.00 10.00 H new ATOM 720 N LEU A 46 1.966 -8.117 -1.776 1.00 10.00 N ATOM 721 CA LEU A 46 1.522 -6.733 -1.903 1.00 10.00 C ATOM 722 C LEU A 46 0.447 -6.658 -2.977 1.00 10.00 C ATOM 723 O LEU A 46 -0.585 -6.031 -2.779 1.00 10.00 O ATOM 724 CB LEU A 46 2.696 -5.803 -2.275 1.00 10.00 C ATOM 725 CG LEU A 46 3.477 -5.255 -1.074 1.00 10.00 C ATOM 726 CD1 LEU A 46 3.761 -6.333 -0.041 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.816 -4.654 -1.516 1.00 10.00 C ATOM 0 H LEU A 46 2.959 -8.250 -1.966 1.00 10.00 H new ATOM 0 HA LEU A 46 1.122 -6.402 -0.944 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.384 -6.348 -2.922 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.310 -4.965 -2.855 1.00 10.00 H new ATOM 0 HG LEU A 46 2.848 -4.485 -0.627 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.316 -5.901 0.792 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.820 -6.744 0.324 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.351 -7.128 -0.497 1.00 10.00 H new ATOM 0 HD21 LEU A 46 5.349 -4.273 -0.645 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.417 -5.423 -2.002 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.635 -3.838 -2.216 1.00 10.00 H new ATOM 739 N ARG A 47 0.701 -7.277 -4.126 1.00 10.00 N ATOM 740 CA ARG A 47 -0.049 -7.069 -5.347 1.00 10.00 C ATOM 741 C ARG A 47 -1.451 -7.650 -5.218 1.00 10.00 C ATOM 742 O ARG A 47 -2.423 -7.012 -5.612 1.00 10.00 O ATOM 743 CB ARG A 47 0.739 -7.681 -6.509 1.00 10.00 C ATOM 744 CG ARG A 47 0.242 -7.222 -7.880 1.00 10.00 C ATOM 745 CD ARG A 47 0.635 -5.766 -8.171 1.00 10.00 C ATOM 746 NE ARG A 47 0.051 -5.321 -9.438 1.00 10.00 N ATOM 747 CZ ARG A 47 0.423 -5.718 -10.661 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.565 -6.384 -10.867 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.397 -5.429 -11.675 1.00 10.00 N ATOM 0 H ARG A 47 1.456 -7.955 -4.230 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.178 -6.004 -5.542 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.792 -7.418 -6.404 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.675 -8.768 -6.451 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.655 -7.871 -8.652 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.842 -7.322 -7.926 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.294 -5.122 -7.360 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.721 -5.678 -8.213 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.711 -4.645 -9.383 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.177 -6.602 -10.081 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.823 -6.674 -11.810 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.266 -4.925 -11.500 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.154 -5.712 -12.624 1.00 10.00 H new ATOM 763 N GLU A 48 -1.538 -8.844 -4.628 1.00 10.00 N ATOM 764 CA GLU A 48 -2.775 -9.489 -4.218 1.00 10.00 C ATOM 765 C GLU A 48 -3.677 -8.495 -3.476 1.00 10.00 C ATOM 766 O GLU A 48 -4.868 -8.387 -3.754 1.00 10.00 O ATOM 767 CB GLU A 48 -2.373 -10.680 -3.332 1.00 10.00 C ATOM 768 CG GLU A 48 -3.548 -11.451 -2.709 1.00 10.00 C ATOM 769 CD GLU A 48 -4.442 -12.139 -3.736 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.941 -12.414 -4.847 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.609 -12.397 -3.374 1.00 10.00 O ATOM 0 H GLU A 48 -0.713 -9.405 -4.417 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.352 -9.838 -5.074 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.779 -11.373 -3.928 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.730 -10.317 -2.530 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.156 -12.200 -2.021 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.151 -10.762 -2.119 1.00 10.00 H new ATOM 778 N GLN A 49 -3.105 -7.772 -2.510 1.00 10.00 N ATOM 779 CA GLN A 49 -3.839 -6.818 -1.690 1.00 10.00 C ATOM 780 C GLN A 49 -4.024 -5.467 -2.389 1.00 10.00 C ATOM 781 O GLN A 49 -4.988 -4.758 -2.113 1.00 10.00 O ATOM 782 CB GLN A 49 -3.087 -6.608 -0.374 1.00 10.00 C ATOM 783 CG GLN A 49 -2.804 -7.887 0.429 1.00 10.00 C ATOM 784 CD GLN A 49 -4.037 -8.468 1.110 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.164 -8.391 2.329 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.933 -9.089 0.349 1.00 10.00 N ATOM 0 H GLN A 49 -2.114 -7.836 -2.277 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.831 -7.231 -1.509 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.138 -6.117 -0.591 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.664 -5.926 0.251 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.380 -8.638 -0.238 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.050 -7.671 1.186 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.799 -9.136 -0.661 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.754 -9.518 0.775 1.00 10.00 H new ATOM 795 N ALA A 50 -3.057 -5.077 -3.219 1.00 10.00 N ATOM 796 CA ALA A 50 -2.953 -3.748 -3.801 1.00 10.00 C ATOM 797 C ALA A 50 -4.225 -3.353 -4.542 1.00 10.00 C ATOM 798 O ALA A 50 -4.860 -4.155 -5.228 1.00 10.00 O ATOM 799 CB ALA A 50 -1.757 -3.663 -4.746 1.00 10.00 C ATOM 0 H ALA A 50 -2.304 -5.700 -3.511 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.810 -3.048 -2.977 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.699 -2.660 -5.170 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.842 -3.878 -4.195 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.876 -4.390 -5.549 1.00 10.00 H new ATOM 805 N GLY A 51 -4.584 -2.081 -4.405 1.00 10.00 N ATOM 806 CA GLY A 51 -5.902 -1.601 -4.737 1.00 10.00 C ATOM 807 C GLY A 51 -6.917 -2.279 -3.838 1.00 10.00 C ATOM 808 O GLY A 51 -7.994 -2.685 -4.263 1.00 10.00 O ATOM 0 H GLY A 51 -3.957 -1.356 -4.057 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.951 -0.519 -4.611 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.126 -1.811 -5.783 1.00 10.00 H new ATOM 812 N GLY A 52 -6.562 -2.323 -2.555 1.00 10.00 N ATOM 813 CA GLY A 52 -7.406 -2.746 -1.481 1.00 10.00 C ATOM 814 C GLY A 52 -6.626 -2.472 -0.204 1.00 10.00 C ATOM 815 O GLY A 52 -5.433 -2.145 -0.223 1.00 10.00 O ATOM 0 H GLY A 52 -5.631 -2.048 -2.240 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.349 -2.200 -1.487 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.650 -3.805 -1.570 1.00 10.00 H new ATOM 819 N ASP A 53 -7.340 -2.547 0.906 1.00 10.00 N ATOM 820 CA ASP A 53 -6.774 -2.397 2.233 1.00 10.00 C ATOM 821 C ASP A 53 -6.012 -3.643 2.668 1.00 10.00 C ATOM 822 O ASP A 53 -6.500 -4.763 2.554 1.00 10.00 O ATOM 823 CB ASP A 53 -7.815 -1.936 3.266 1.00 10.00 C ATOM 824 CG ASP A 53 -9.004 -2.859 3.433 1.00 10.00 C ATOM 825 OD1 ASP A 53 -9.784 -2.961 2.460 1.00 10.00 O ATOM 826 OD2 ASP A 53 -9.262 -3.273 4.582 1.00 10.00 O ATOM 0 H ASP A 53 -8.346 -2.717 0.909 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.040 -1.593 2.178 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -7.322 -1.825 4.232 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.178 -0.949 2.978 1.00 10.00 H new ATOM 831 N ALA A 54 -4.794 -3.418 3.174 1.00 10.00 N ATOM 832 CA ALA A 54 -3.933 -4.439 3.757 1.00 10.00 C ATOM 833 C ALA A 54 -3.546 -4.023 5.176 1.00 10.00 C ATOM 834 O ALA A 54 -2.457 -4.347 5.646 1.00 10.00 O ATOM 835 CB ALA A 54 -2.687 -4.603 2.884 1.00 10.00 C ATOM 0 H ALA A 54 -4.372 -2.489 3.187 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.458 -5.393 3.804 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.039 -5.366 3.315 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.984 -4.904 1.879 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.150 -3.656 2.835 1.00 10.00 H new ATOM 841 N THR A 55 -4.421 -3.270 5.847 1.00 10.00 N ATOM 842 CA THR A 55 -4.118 -2.647 7.125 1.00 10.00 C ATOM 843 C THR A 55 -3.763 -3.709 8.165 1.00 10.00 C ATOM 844 O THR A 55 -2.646 -3.737 8.685 1.00 10.00 O ATOM 845 CB THR A 55 -5.311 -1.776 7.556 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.631 -0.815 6.561 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.996 -1.037 8.857 1.00 10.00 C ATOM 0 H THR A 55 -5.365 -3.078 5.511 1.00 10.00 H new ATOM 0 HA THR A 55 -3.246 -2.000 7.030 1.00 10.00 H new ATOM 0 HB THR A 55 -6.160 -2.443 7.702 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.208 -1.068 5.714 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.852 -0.427 9.145 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.785 -1.760 9.644 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.126 -0.396 8.710 1.00 10.00 H new ATOM 855 N GLU A 56 -4.724 -4.593 8.444 1.00 10.00 N ATOM 856 CA GLU A 56 -4.582 -5.663 9.398 1.00 10.00 C ATOM 857 C GLU A 56 -3.395 -6.507 8.967 1.00 10.00 C ATOM 858 O GLU A 56 -2.469 -6.656 9.738 1.00 10.00 O ATOM 859 CB GLU A 56 -5.892 -6.458 9.457 1.00 10.00 C ATOM 860 CG GLU A 56 -7.064 -5.564 9.898 1.00 10.00 C ATOM 861 CD GLU A 56 -8.403 -6.292 9.846 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.380 -7.540 9.890 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.422 -5.577 9.755 1.00 10.00 O ATOM 0 H GLU A 56 -5.639 -4.572 7.995 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.392 -5.295 10.406 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.106 -6.886 8.477 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.784 -7.291 10.152 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.885 -5.210 10.913 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.107 -4.684 9.257 1.00 10.00 H new ATOM 870 N ASN A 57 -3.380 -6.987 7.722 1.00 10.00 N ATOM 871 CA ASN A 57 -2.301 -7.814 7.184 1.00 10.00 C ATOM 872 C ASN A 57 -0.910 -7.229 7.494 1.00 10.00 C ATOM 873 O ASN A 57 -0.034 -7.901 8.038 1.00 10.00 O ATOM 874 CB ASN A 57 -2.540 -7.983 5.676 1.00 10.00 C ATOM 875 CG ASN A 57 -1.718 -9.110 5.064 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.746 -9.576 5.639 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.116 -9.572 3.884 1.00 10.00 N ATOM 0 H ASN A 57 -4.127 -6.809 7.051 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.312 -8.791 7.667 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.598 -8.177 5.501 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.299 -7.049 5.169 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.607 -10.334 3.436 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.931 -9.165 3.425 1.00 10.00 H new ATOM 884 N PHE A 58 -0.711 -5.947 7.177 1.00 10.00 N ATOM 885 CA PHE A 58 0.543 -5.253 7.435 1.00 10.00 C ATOM 886 C PHE A 58 0.900 -5.260 8.926 1.00 10.00 C ATOM 887 O PHE A 58 1.992 -5.691 9.302 1.00 10.00 O ATOM 888 CB PHE A 58 0.442 -3.820 6.903 1.00 10.00 C ATOM 889 CG PHE A 58 1.691 -2.989 7.110 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.822 -3.197 6.302 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.721 -1.992 8.104 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.950 -2.368 6.436 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.846 -1.165 8.239 1.00 10.00 C ATOM 894 CZ PHE A 58 3.958 -1.342 7.396 1.00 10.00 C ATOM 0 H PHE A 58 -1.420 -5.364 6.733 1.00 10.00 H new ATOM 0 HA PHE A 58 1.345 -5.778 6.917 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.216 -3.856 5.837 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.396 -3.322 7.390 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.825 -3.996 5.576 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.876 -1.864 8.764 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.810 -2.520 5.801 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.858 -0.391 8.992 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.815 -0.691 7.486 1.00 10.00 H new ATOM 904 N GLU A 59 -0.001 -4.749 9.768 1.00 10.00 N ATOM 905 CA GLU A 59 0.264 -4.558 11.187 1.00 10.00 C ATOM 906 C GLU A 59 0.468 -5.900 11.898 1.00 10.00 C ATOM 907 O GLU A 59 1.426 -6.072 12.649 1.00 10.00 O ATOM 908 CB GLU A 59 -0.899 -3.765 11.792 1.00 10.00 C ATOM 909 CG GLU A 59 -0.852 -2.288 11.367 1.00 10.00 C ATOM 910 CD GLU A 59 0.305 -1.539 12.018 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.248 -1.375 13.255 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.311 -1.232 11.341 1.00 10.00 O ATOM 0 H GLU A 59 -0.935 -4.457 9.480 1.00 10.00 H new ATOM 0 HA GLU A 59 1.189 -3.997 11.319 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.845 -4.206 11.477 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -0.862 -3.834 12.879 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.759 -2.226 10.283 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.792 -1.805 11.634 1.00 10.00 H new ATOM 919 N ASP A 60 -0.439 -6.839 11.633 1.00 10.00 N ATOM 920 CA ASP A 60 -0.431 -8.249 12.001 1.00 10.00 C ATOM 921 C ASP A 60 0.970 -8.841 11.865 1.00 10.00 C ATOM 922 O ASP A 60 1.523 -9.383 12.819 1.00 10.00 O ATOM 923 CB ASP A 60 -1.413 -8.993 11.081 1.00 10.00 C ATOM 924 CG ASP A 60 -1.285 -10.501 11.227 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.974 -11.053 12.109 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.486 -11.065 10.445 1.00 10.00 O ATOM 0 H ASP A 60 -1.279 -6.606 11.103 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.734 -8.355 13.043 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.433 -8.690 11.316 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.227 -8.710 10.045 1.00 10.00 H new ATOM 931 N HIS A 61 1.561 -8.687 10.677 1.00 10.00 N ATOM 932 CA HIS A 61 2.888 -9.213 10.375 1.00 10.00 C ATOM 933 C HIS A 61 4.006 -8.544 11.191 1.00 10.00 C ATOM 934 O HIS A 61 5.156 -8.966 11.106 1.00 10.00 O ATOM 935 CB HIS A 61 3.142 -9.091 8.871 1.00 10.00 C ATOM 936 CG HIS A 61 2.364 -10.072 8.030 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.202 -10.738 8.364 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.745 -10.510 6.794 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.898 -11.547 7.335 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.816 -11.454 6.356 1.00 10.00 N ATOM 0 H HIS A 61 1.128 -8.192 9.897 1.00 10.00 H new ATOM 0 HA HIS A 61 2.907 -10.262 10.669 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.892 -8.079 8.553 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.206 -9.231 8.681 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.673 -10.635 9.230 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.617 -10.181 6.248 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.030 -12.188 7.299 1.00 10.00 H new ATOM 948 N GLY A 62 3.699 -7.515 11.986 1.00 10.00 N ATOM 949 CA GLY A 62 4.646 -6.904 12.902 1.00 10.00 C ATOM 950 C GLY A 62 5.755 -6.173 12.156 1.00 10.00 C ATOM 951 O GLY A 62 6.895 -6.151 12.616 1.00 10.00 O ATOM 0 H GLY A 62 2.775 -7.084 12.006 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.123 -6.205 13.554 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.082 -7.672 13.542 1.00 10.00 H new ATOM 955 N HIS A 63 5.410 -5.548 11.026 1.00 10.00 N ATOM 956 CA HIS A 63 6.353 -4.808 10.202 1.00 10.00 C ATOM 957 C HIS A 63 7.140 -3.795 11.029 1.00 10.00 C ATOM 958 O HIS A 63 6.562 -3.050 11.822 1.00 10.00 O ATOM 959 CB HIS A 63 5.598 -4.110 9.071 1.00 10.00 C ATOM 960 CG HIS A 63 5.368 -5.020 7.900 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.288 -5.843 7.700 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.185 -5.127 6.811 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.440 -6.415 6.492 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.583 -6.002 5.907 1.00 10.00 N ATOM 0 H HIS A 63 4.458 -5.545 10.660 1.00 10.00 H new ATOM 0 HA HIS A 63 7.072 -5.510 9.779 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.639 -3.750 9.444 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.161 -3.236 8.745 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.514 -5.993 8.347 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.130 -4.623 6.674 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.742 -7.111 6.050 1.00 10.00 H new ATOM 972 N SER A 64 8.459 -3.768 10.853 1.00 10.00 N ATOM 973 CA SER A 64 9.338 -2.920 11.632 1.00 10.00 C ATOM 974 C SER A 64 8.950 -1.448 11.503 1.00 10.00 C ATOM 975 O SER A 64 8.394 -1.014 10.490 1.00 10.00 O ATOM 976 CB SER A 64 10.793 -3.159 11.217 1.00 10.00 C ATOM 977 OG SER A 64 11.105 -4.522 11.420 1.00 10.00 O ATOM 0 H SER A 64 8.944 -4.339 10.161 1.00 10.00 H new ATOM 0 HA SER A 64 9.233 -3.182 12.685 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.936 -2.891 10.170 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.461 -2.527 11.802 1.00 10.00 H new ATOM 0 HG SER A 64 10.579 -5.073 10.804 1.00 10.00 H new ATOM 983 N THR A 65 9.288 -0.681 12.541 1.00 10.00 N ATOM 984 CA THR A 65 9.259 0.772 12.590 1.00 10.00 C ATOM 985 C THR A 65 9.694 1.381 11.266 1.00 10.00 C ATOM 986 O THR A 65 9.107 2.351 10.816 1.00 10.00 O ATOM 987 CB THR A 65 10.247 1.185 13.696 1.00 10.00 C ATOM 988 OG1 THR A 65 11.287 0.220 13.812 1.00 10.00 O ATOM 989 CG2 THR A 65 9.521 1.236 15.042 1.00 10.00 C ATOM 0 H THR A 65 9.608 -1.087 13.420 1.00 10.00 H new ATOM 0 HA THR A 65 8.247 1.125 12.788 1.00 10.00 H new ATOM 0 HB THR A 65 10.659 2.160 13.437 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.941 0.356 13.095 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.223 1.529 15.823 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.711 1.963 14.991 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.112 0.252 15.272 1.00 10.00 H new ATOM 997 N ASP A 66 10.719 0.803 10.661 1.00 10.00 N ATOM 998 CA ASP A 66 11.411 1.246 9.472 1.00 10.00 C ATOM 999 C ASP A 66 10.487 1.139 8.254 1.00 10.00 C ATOM 1000 O ASP A 66 10.316 2.097 7.503 1.00 10.00 O ATOM 1001 CB ASP A 66 12.676 0.378 9.348 1.00 10.00 C ATOM 1002 CG ASP A 66 13.481 0.321 10.654 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.889 -0.133 11.668 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.652 0.750 10.623 1.00 10.00 O ATOM 0 H ASP A 66 11.119 -0.062 11.025 1.00 10.00 H new ATOM 0 HA ASP A 66 11.701 2.295 9.531 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.392 -0.633 9.056 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.308 0.774 8.553 1.00 10.00 H new ATOM 1009 N ALA A 67 9.842 -0.019 8.084 1.00 10.00 N ATOM 1010 CA ALA A 67 8.832 -0.255 7.064 1.00 10.00 C ATOM 1011 C ALA A 67 7.657 0.698 7.295 1.00 10.00 C ATOM 1012 O ALA A 67 7.170 1.347 6.374 1.00 10.00 O ATOM 1013 CB ALA A 67 8.369 -1.713 7.124 1.00 10.00 C ATOM 0 H ALA A 67 10.017 -0.835 8.670 1.00 10.00 H new ATOM 0 HA ALA A 67 9.249 -0.069 6.074 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.612 -1.886 6.359 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.219 -2.372 6.950 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.945 -1.920 8.107 1.00 10.00 H new ATOM 1019 N ARG A 68 7.213 0.784 8.551 1.00 10.00 N ATOM 1020 CA ARG A 68 6.213 1.734 9.026 1.00 10.00 C ATOM 1021 C ARG A 68 6.582 3.181 8.619 1.00 10.00 C ATOM 1022 O ARG A 68 5.759 3.908 8.056 1.00 10.00 O ATOM 1023 CB ARG A 68 6.025 1.490 10.541 1.00 10.00 C ATOM 1024 CG ARG A 68 4.900 0.465 10.786 1.00 10.00 C ATOM 1025 CD ARG A 68 4.887 -0.080 12.221 1.00 10.00 C ATOM 1026 NE ARG A 68 3.747 -0.998 12.473 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.740 -1.981 13.393 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.878 -2.560 13.779 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.600 -2.389 13.952 1.00 10.00 N ATOM 0 H ARG A 68 7.555 0.170 9.290 1.00 10.00 H new ATOM 0 HA ARG A 68 5.243 1.582 8.553 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.957 1.127 10.976 1.00 10.00 H new ATOM 0 HB3 ARG A 68 5.785 2.429 11.040 1.00 10.00 H new ATOM 0 HG2 ARG A 68 3.938 0.931 10.572 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.014 -0.365 10.089 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.822 -0.606 12.414 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.839 0.753 12.922 1.00 10.00 H new ATOM 0 HE ARG A 68 2.907 -0.875 11.907 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.766 -2.259 13.376 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.861 -3.304 14.477 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.717 -1.955 13.684 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.611 -3.135 14.648 1.00 10.00 H new ATOM 1043 N GLU A 69 7.835 3.586 8.834 1.00 10.00 N ATOM 1044 CA GLU A 69 8.374 4.888 8.470 1.00 10.00 C ATOM 1045 C GLU A 69 8.248 5.064 6.959 1.00 10.00 C ATOM 1046 O GLU A 69 7.657 6.031 6.483 1.00 10.00 O ATOM 1047 CB GLU A 69 9.830 5.016 8.957 1.00 10.00 C ATOM 1048 CG GLU A 69 10.260 6.470 9.203 1.00 10.00 C ATOM 1049 CD GLU A 69 9.515 7.117 10.363 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.127 6.405 11.317 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.209 8.326 10.277 1.00 10.00 O ATOM 0 H GLU A 69 8.527 2.987 9.285 1.00 10.00 H new ATOM 0 HA GLU A 69 7.811 5.685 8.955 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.949 4.448 9.879 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.494 4.567 8.218 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.331 6.498 9.404 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.090 7.053 8.298 1.00 10.00 H new ATOM 1058 N LEU A 70 8.737 4.076 6.204 1.00 10.00 N ATOM 1059 CA LEU A 70 8.579 4.034 4.758 1.00 10.00 C ATOM 1060 C LEU A 70 7.116 4.260 4.359 1.00 10.00 C ATOM 1061 O LEU A 70 6.815 4.977 3.410 1.00 10.00 O ATOM 1062 CB LEU A 70 9.090 2.694 4.192 1.00 10.00 C ATOM 1063 CG LEU A 70 10.227 2.819 3.164 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.123 4.047 2.248 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.575 2.828 3.885 1.00 10.00 C ATOM 0 H LEU A 70 9.254 3.284 6.585 1.00 10.00 H new ATOM 0 HA LEU A 70 9.177 4.840 4.332 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.434 2.074 5.020 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.255 2.170 3.727 1.00 10.00 H new ATOM 0 HG LEU A 70 10.137 1.950 2.512 1.00 10.00 H new ATOM 0 HD11 LEU A 70 10.964 4.056 1.555 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.190 4.004 1.686 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.140 4.954 2.852 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.378 2.917 3.154 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.615 3.673 4.572 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.695 1.900 4.444 1.00 10.00 H new ATOM 1077 N SER A 71 6.194 3.661 5.108 1.00 10.00 N ATOM 1078 CA SER A 71 4.765 3.804 4.902 1.00 10.00 C ATOM 1079 C SER A 71 4.364 5.277 4.964 1.00 10.00 C ATOM 1080 O SER A 71 3.632 5.748 4.095 1.00 10.00 O ATOM 1081 CB SER A 71 4.020 2.882 5.884 1.00 10.00 C ATOM 1082 OG SER A 71 3.139 2.020 5.193 1.00 10.00 O ATOM 0 H SER A 71 6.430 3.051 5.890 1.00 10.00 H new ATOM 0 HA SER A 71 4.475 3.479 3.903 1.00 10.00 H new ATOM 0 HB2 SER A 71 4.739 2.294 6.454 1.00 10.00 H new ATOM 0 HB3 SER A 71 3.460 3.483 6.601 1.00 10.00 H new ATOM 0 HG SER A 71 2.432 2.548 4.766 1.00 10.00 H new ATOM 1088 N LYS A 72 4.898 6.028 5.930 1.00 10.00 N ATOM 1089 CA LYS A 72 4.708 7.479 5.949 1.00 10.00 C ATOM 1090 C LYS A 72 5.154 8.075 4.613 1.00 10.00 C ATOM 1091 O LYS A 72 4.404 8.786 3.952 1.00 10.00 O ATOM 1092 CB LYS A 72 5.473 8.143 7.098 1.00 10.00 C ATOM 1093 CG LYS A 72 5.273 7.405 8.421 1.00 10.00 C ATOM 1094 CD LYS A 72 5.994 8.185 9.525 1.00 10.00 C ATOM 1095 CE LYS A 72 6.046 7.400 10.844 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.108 7.914 11.731 1.00 10.00 N ATOM 0 H LYS A 72 5.458 5.661 6.699 1.00 10.00 H new ATOM 0 HA LYS A 72 3.647 7.673 6.106 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.536 8.173 6.857 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.141 9.176 7.205 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.211 7.318 8.650 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.668 6.391 8.353 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.009 8.417 9.201 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.486 9.135 9.688 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.082 7.468 11.349 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.222 6.345 10.635 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.682 7.121 12.081 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.714 8.573 11.202 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.677 8.411 12.537 1.00 10.00 H new ATOM 1110 N THR A 73 6.377 7.750 4.207 1.00 10.00 N ATOM 1111 CA THR A 73 6.979 8.213 2.964 1.00 10.00 C ATOM 1112 C THR A 73 6.085 7.912 1.751 1.00 10.00 C ATOM 1113 O THR A 73 6.002 8.720 0.831 1.00 10.00 O ATOM 1114 CB THR A 73 8.379 7.594 2.822 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.998 7.564 4.095 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.276 8.379 1.865 1.00 10.00 C ATOM 0 H THR A 73 6.992 7.142 4.748 1.00 10.00 H new ATOM 0 HA THR A 73 7.079 9.298 2.998 1.00 10.00 H new ATOM 0 HB THR A 73 8.252 6.592 2.413 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.891 7.169 4.015 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.252 7.897 1.803 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.820 8.403 0.875 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.397 9.398 2.233 1.00 10.00 H new ATOM 1124 N PHE A 74 5.422 6.751 1.742 1.00 10.00 N ATOM 1125 CA PHE A 74 4.529 6.340 0.662 1.00 10.00 C ATOM 1126 C PHE A 74 3.133 6.961 0.740 1.00 10.00 C ATOM 1127 O PHE A 74 2.349 6.749 -0.187 1.00 10.00 O ATOM 1128 CB PHE A 74 4.388 4.818 0.649 1.00 10.00 C ATOM 1129 CG PHE A 74 5.681 4.038 0.550 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.654 4.355 -0.419 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.865 2.918 1.374 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.841 3.604 -0.494 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.022 2.142 1.260 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.033 2.510 0.366 1.00 10.00 C ATOM 0 H PHE A 74 5.493 6.065 2.494 1.00 10.00 H new ATOM 0 HA PHE A 74 4.991 6.702 -0.256 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.870 4.512 1.558 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.752 4.538 -0.190 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.488 5.174 -1.103 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.110 2.654 2.099 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.604 3.868 -1.212 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.136 1.254 1.865 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.959 1.954 0.337 1.00 10.00 H new ATOM 1144 N ILE A 75 2.791 7.673 1.821 1.00 10.00 N ATOM 1145 CA ILE A 75 1.508 8.383 1.874 1.00 10.00 C ATOM 1146 C ILE A 75 1.302 9.290 0.660 1.00 10.00 C ATOM 1147 O ILE A 75 2.177 10.077 0.303 1.00 10.00 O ATOM 1148 CB ILE A 75 1.345 9.205 3.169 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.165 8.307 4.394 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.165 10.195 3.099 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.075 7.256 4.247 1.00 10.00 C ATOM 0 H ILE A 75 3.371 7.772 2.654 1.00 10.00 H new ATOM 0 HA ILE A 75 0.742 7.607 1.862 1.00 10.00 H new ATOM 0 HB ILE A 75 2.270 9.774 3.269 1.00 10.00 H new ATOM 0 HG12 ILE A 75 2.110 7.806 4.604 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.936 8.932 5.257 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.097 10.747 4.037 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.324 10.894 2.278 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.762 9.645 2.933 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.015 6.664 5.160 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.882 7.747 4.069 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.310 6.603 3.406 1.00 10.00 H new ATOM 1163 N ILE A 76 0.104 9.209 0.069 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.290 10.004 -1.091 1.00 10.00 C ATOM 1165 C ILE A 76 -1.734 10.527 -1.007 1.00 10.00 C ATOM 1166 O ILE A 76 -2.144 11.302 -1.874 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.118 9.145 -2.357 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.701 7.740 -2.119 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.357 9.054 -2.774 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.133 7.061 -3.411 1.00 10.00 C ATOM 0 H ILE A 76 -0.629 8.577 0.392 1.00 10.00 H new ATOM 0 HA ILE A 76 0.353 10.884 -1.122 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.661 9.623 -3.172 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.044 7.121 -1.619 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.557 7.814 -1.448 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.444 8.441 -3.671 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.739 10.054 -2.979 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.936 8.603 -1.968 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.536 6.074 -3.186 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.899 7.663 -3.900 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.273 6.959 -4.074 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.536 10.079 -0.033 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.992 10.101 -0.156 1.00 10.00 C ATOM 1184 C GLY A 77 -4.610 9.327 0.992 1.00 10.00 C ATOM 1185 O GLY A 77 -3.886 8.783 1.828 1.00 10.00 O ATOM 0 H GLY A 77 -2.196 9.697 0.850 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.352 11.130 -0.150 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.294 9.663 -1.108 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.941 9.245 0.982 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.701 8.352 1.828 1.00 10.00 C ATOM 1191 C GLU A 78 -7.886 7.825 1.031 1.00 10.00 C ATOM 1192 O GLU A 78 -8.339 8.490 0.102 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.281 9.099 3.030 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.302 9.887 3.904 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.931 10.212 5.259 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.963 9.307 6.127 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -7.400 11.359 5.412 1.00 10.00 O ATOM 0 H GLU A 78 -6.524 9.814 0.369 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.038 7.555 2.166 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -8.039 9.791 2.664 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.791 8.374 3.664 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.390 9.308 4.050 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -6.017 10.810 3.399 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.404 6.680 1.463 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.655 6.075 1.061 1.00 10.00 C ATOM 1206 C LEU A 79 -10.795 7.035 1.338 1.00 10.00 C ATOM 1207 O LEU A 79 -10.964 7.486 2.469 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.842 4.797 1.879 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.191 4.124 1.607 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.259 3.513 0.209 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.426 3.042 2.648 1.00 10.00 C ATOM 0 H LEU A 79 -7.917 6.112 2.157 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.645 5.844 -0.004 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.037 4.099 1.647 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.764 5.033 2.940 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.966 4.889 1.667 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.234 3.048 0.062 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.114 4.294 -0.537 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.478 2.760 0.102 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.385 2.559 2.460 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.629 2.301 2.589 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.433 3.489 3.642 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.579 7.341 0.307 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.657 8.283 0.452 1.00 10.00 C ATOM 1225 C HIS A 80 -13.687 7.831 1.474 1.00 10.00 C ATOM 1226 O HIS A 80 -14.244 6.763 1.304 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.297 8.582 -0.896 1.00 10.00 C ATOM 1228 CG HIS A 80 -14.150 9.808 -0.787 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.506 9.853 -0.550 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.623 11.008 -0.410 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.784 11.077 -0.063 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.666 11.813 0.049 1.00 10.00 N ATOM 0 H HIS A 80 -11.479 6.946 -0.628 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.229 9.209 0.837 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.525 8.730 -1.651 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.901 7.734 -1.219 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.581 11.286 -0.458 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.773 11.421 0.202 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.594 12.768 0.399 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.008 8.596 2.522 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.678 8.013 3.672 1.00 10.00 C ATOM 1242 C PRO A 81 -16.117 7.618 3.481 1.00 10.00 C ATOM 1243 O PRO A 81 -16.699 6.950 4.332 1.00 10.00 O ATOM 1244 CB PRO A 81 -14.715 9.146 4.687 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.523 10.033 4.323 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.620 9.969 2.810 1.00 10.00 C ATOM 0 HA PRO A 81 -14.141 7.101 3.932 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.652 9.699 4.629 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -14.631 8.768 5.706 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.623 11.048 4.707 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -12.578 9.641 4.700 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.357 10.677 2.430 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.668 10.218 2.341 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.695 8.063 2.378 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.002 7.582 1.992 1.00 10.00 C ATOM 1256 C ASP A 82 -17.973 6.045 1.914 1.00 10.00 C ATOM 1257 O ASP A 82 -18.973 5.374 2.158 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.393 8.229 0.660 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.819 7.880 0.261 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.733 8.345 0.972 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.962 7.203 -0.778 1.00 10.00 O ATOM 0 H ASP A 82 -16.283 8.748 1.744 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.756 7.857 2.730 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.292 9.311 0.738 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.706 7.900 -0.120 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.781 5.504 1.629 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.439 4.103 1.687 1.00 10.00 C ATOM 1268 C ASP A 83 -16.626 3.527 3.094 1.00 10.00 C ATOM 1269 O ASP A 83 -17.409 2.598 3.289 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.980 4.003 1.219 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.712 2.651 0.569 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.571 1.656 1.310 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.656 2.637 -0.678 1.00 10.00 O ATOM 0 H ASP A 83 -15.992 6.080 1.336 1.00 10.00 H new ATOM 0 HA ASP A 83 -17.097 3.514 1.049 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.765 4.802 0.509 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.311 4.143 2.068 1.00 10.00 H new ATOM 1278 N ARG A 84 -15.880 4.058 4.069 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.713 3.509 5.405 1.00 10.00 C ATOM 1280 C ARG A 84 -14.762 4.398 6.190 1.00 10.00 C ATOM 1281 O ARG A 84 -14.810 4.297 7.438 1.00 10.00 O ATOM 1282 CB ARG A 84 -15.199 2.058 5.366 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.977 1.883 4.454 1.00 10.00 C ATOM 1284 CD ARG A 84 -13.727 0.440 3.994 1.00 10.00 C ATOM 1285 NE ARG A 84 -12.947 -0.350 4.961 1.00 10.00 N ATOM 1286 CZ ARG A 84 -12.073 -1.317 4.618 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -11.968 -1.704 3.341 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -11.304 -1.886 5.551 1.00 10.00 N ATOM 1289 OXT ARG A 84 -13.983 5.122 5.534 1.00 10.00 O ATOM 0 H ARG A 84 -15.355 4.922 3.935 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.685 3.486 5.897 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.940 1.742 6.377 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -16.000 1.403 5.022 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.102 2.515 3.575 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.092 2.242 4.980 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.685 -0.051 3.822 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.201 0.456 3.039 1.00 10.00 H new ATOM 0 HE ARG A 84 -13.076 -0.153 5.953 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.550 -1.267 2.626 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.306 -2.436 3.083 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -11.378 -1.589 6.524 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.643 -2.618 5.290 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.245 -6.358 4.083 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.651 -8.498 5.434 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.561 -3.756 4.177 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.787 -4.165 3.075 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.069 -9.052 3.741 1.00 10.00 C HETATM 1309 NA HEM A 201 8.240 -6.165 4.680 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.998 -7.160 5.230 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.265 -6.574 5.616 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.269 -5.272 5.161 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.959 -5.007 4.628 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.390 -4.259 5.241 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.308 -7.223 6.501 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.906 -7.198 7.981 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.752 -5.779 8.522 1.00 10.00 C HETATM 1318 O1A HEM A 201 9.792 -5.559 9.291 1.00 10.00 O HETATM 1319 O2A HEM A 201 11.616 -4.934 8.207 1.00 10.00 O HETATM 1320 NB HEM A 201 6.194 -4.341 3.674 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.264 -3.475 3.762 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.806 -2.163 3.373 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.472 -2.302 3.075 1.00 10.00 C HETATM 1324 C4B HEM A 201 5.076 -3.671 3.274 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.624 -0.892 3.340 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.583 -1.250 2.450 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.131 -0.225 3.200 1.00 10.00 C HETATM 1328 NC HEM A 201 4.279 -6.563 3.537 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.457 -5.513 3.210 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.133 -6.044 3.004 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.243 -7.410 3.130 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.595 -7.753 3.488 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.896 -5.236 2.701 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.099 -8.392 3.071 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.481 -8.622 1.894 1.00 10.00 C HETATM 1336 ND HEM A 201 6.351 -8.419 4.491 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.351 -9.315 4.231 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.849 -10.627 4.576 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.121 -10.463 5.074 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.435 -9.054 5.021 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.120 -11.946 4.454 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.034 -11.567 5.553 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.947 -11.787 7.064 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.058 -12.729 7.504 1.00 10.00 C HETATM 1345 O1D HEM A 201 8.729 -13.889 7.833 1.00 10.00 O HETATM 1346 O2D HEM A 201 10.222 -12.274 7.474 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.292 -3.543 4.425 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.349 -4.771 5.162 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.337 -3.732 6.194 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.401 -0.939 4.103 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.976 -0.037 3.534 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.086 -0.782 2.359 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.211 -5.831 2.097 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 1.175 -4.336 2.153 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.407 -4.956 3.634 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.050 -11.783 4.580 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.476 -12.631 5.224 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.309 -12.376 3.470 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.490 0.536 2.754 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.406 -0.157 4.252 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.346 -9.330 1.842 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.809 -8.100 0.995 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.657 -7.727 8.567 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.966 -7.736 8.108 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.260 -6.708 6.376 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.460 -8.255 6.185 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.975 -12.206 7.326 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.035 -10.835 7.587 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.062 -11.326 5.283 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.778 -12.494 5.039 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.360 -9.138 5.938 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.294 -2.963 4.147 1.00 10.00 H new HETATM 0 HHC HEM A 201 3.007 -3.470 2.803 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.411 -9.886 3.547 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.309 -1.320 1.397 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.774 -8.912 3.972 1.00 10.00 H new