USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 30 TYR OH : rot 30:sc= -0.0333 USER MOD Set 1.2: A 71 SER OG : rot 180:sc=-0.00731 USER MOD Set 2.1: A 15 HIS : no HD1:sc= 0.841 K(o=2.1,f=-5!) USER MOD Set 2.2: A 20 SER OG : rot 169:sc= 1.3 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 13 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.86) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.774 K(o=-0.77,f=-3) USER MOD Single : A 17 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -0.0331 (180deg=-0.291) USER MOD Single : A 33 THR OG1 : rot -130:sc= 0.0309 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.815 K(o=-0.81,f=-1.8) USER MOD Single : A 55 THR OG1 : rot 5:sc= 1.12 USER MOD Single : A 57 ASN : amide:sc= -1.04 X(o=-1,f=-0.69) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-5.4!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.683 (180deg=-0.683) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.782 (180deg=-1.15) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.237 (180deg=-0.237) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0751 (180deg=-0.518) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -1.499 -9.909 -20.325 1.00 10.00 N ATOM 2 CA ALA A 3 -2.387 -8.898 -19.733 1.00 10.00 C ATOM 3 C ALA A 3 -1.647 -8.308 -18.541 1.00 10.00 C ATOM 4 O ALA A 3 -0.805 -9.024 -18.000 1.00 10.00 O ATOM 5 CB ALA A 3 -2.900 -7.888 -20.766 1.00 10.00 C ATOM 0 HA ALA A 3 -3.316 -9.339 -19.372 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -3.551 -7.164 -20.275 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -2.055 -7.368 -21.217 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -3.459 -8.412 -21.541 1.00 10.00 H new ATOM 13 N VAL A 4 -1.991 -7.101 -18.086 1.00 10.00 N ATOM 14 CA VAL A 4 -1.991 -6.841 -16.652 1.00 10.00 C ATOM 15 C VAL A 4 -2.807 -7.956 -15.985 1.00 10.00 C ATOM 16 O VAL A 4 -3.788 -8.424 -16.563 1.00 10.00 O ATOM 17 CB VAL A 4 -2.593 -5.455 -16.345 1.00 10.00 C ATOM 18 CG1 VAL A 4 -1.646 -4.344 -16.815 1.00 10.00 C ATOM 19 CG2 VAL A 4 -3.996 -5.258 -16.941 1.00 10.00 C ATOM 0 H VAL A 4 -2.265 -6.312 -18.672 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.972 -6.834 -16.265 1.00 10.00 H new ATOM 0 HB VAL A 4 -2.708 -5.399 -15.263 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -2.086 -3.372 -16.591 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -0.691 -4.438 -16.299 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -1.488 -4.431 -17.890 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -4.362 -4.263 -16.688 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -3.949 -5.363 -18.025 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -4.673 -6.008 -16.533 1.00 10.00 H new ATOM 29 N LYS A 5 -2.387 -8.407 -14.805 1.00 10.00 N ATOM 30 CA LYS A 5 -3.097 -9.415 -14.039 1.00 10.00 C ATOM 31 C LYS A 5 -3.504 -8.760 -12.732 1.00 10.00 C ATOM 32 O LYS A 5 -2.759 -8.774 -11.755 1.00 10.00 O ATOM 33 CB LYS A 5 -2.226 -10.662 -13.867 1.00 10.00 C ATOM 34 CG LYS A 5 -2.929 -11.737 -13.022 1.00 10.00 C ATOM 35 CD LYS A 5 -2.242 -13.101 -13.213 1.00 10.00 C ATOM 36 CE LYS A 5 -3.195 -14.184 -13.758 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.553 -15.029 -14.786 1.00 10.00 N ATOM 0 H LYS A 5 -1.534 -8.076 -14.354 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.995 -9.769 -14.546 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.981 -11.072 -14.847 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.284 -10.385 -13.393 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.906 -11.455 -11.969 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.978 -11.807 -13.310 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.402 -12.986 -13.898 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.832 -13.432 -12.259 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.536 -14.812 -12.935 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -4.079 -13.707 -14.182 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -3.231 -15.742 -15.123 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.250 -14.435 -15.584 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.725 -15.506 -14.376 1.00 10.00 H new ATOM 51 N TYR A 6 -4.683 -8.144 -12.760 1.00 10.00 N ATOM 52 CA TYR A 6 -5.271 -7.514 -11.598 1.00 10.00 C ATOM 53 C TYR A 6 -5.399 -8.516 -10.451 1.00 10.00 C ATOM 54 O TYR A 6 -5.433 -9.725 -10.682 1.00 10.00 O ATOM 55 CB TYR A 6 -6.645 -6.963 -11.971 1.00 10.00 C ATOM 56 CG TYR A 6 -6.715 -6.160 -13.250 1.00 10.00 C ATOM 57 CD1 TYR A 6 -5.950 -4.991 -13.377 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.579 -6.547 -14.291 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.132 -4.147 -14.485 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.743 -5.715 -15.411 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.055 -4.492 -15.483 1.00 10.00 C ATOM 62 OH TYR A 6 -7.287 -3.642 -16.521 1.00 10.00 O ATOM 0 H TYR A 6 -5.256 -8.072 -13.601 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.627 -6.699 -11.267 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.339 -7.799 -12.053 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.997 -6.335 -11.152 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -5.220 -4.740 -12.622 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -8.115 -7.482 -14.229 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.562 -3.234 -14.568 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -8.397 -6.015 -16.216 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.953 -4.035 -17.123 1.00 10.00 H new ATOM 72 N TYR A 7 -5.492 -8.008 -9.223 1.00 10.00 N ATOM 73 CA TYR A 7 -5.554 -8.829 -8.025 1.00 10.00 C ATOM 74 C TYR A 7 -6.859 -8.542 -7.290 1.00 10.00 C ATOM 75 O TYR A 7 -7.244 -7.383 -7.127 1.00 10.00 O ATOM 76 CB TYR A 7 -4.373 -8.483 -7.131 1.00 10.00 C ATOM 77 CG TYR A 7 -3.004 -8.613 -7.768 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.345 -9.855 -7.782 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.383 -7.488 -8.339 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.130 -9.998 -8.475 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.165 -7.628 -9.025 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.570 -8.894 -9.142 1.00 10.00 C ATOM 83 OH TYR A 7 0.540 -9.049 -9.918 1.00 10.00 O ATOM 0 H TYR A 7 -5.526 -7.006 -9.035 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.514 -9.886 -8.290 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.494 -7.458 -6.781 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.406 -9.126 -6.252 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.772 -10.699 -7.261 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.843 -6.515 -8.250 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.628 -10.954 -8.495 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.687 -6.763 -9.461 1.00 10.00 H new ATOM 0 HH TYR A 7 0.792 -8.185 -10.305 1.00 10.00 H new ATOM 93 N THR A 8 -7.562 -9.595 -6.886 1.00 10.00 N ATOM 94 CA THR A 8 -8.810 -9.524 -6.147 1.00 10.00 C ATOM 95 C THR A 8 -8.509 -9.207 -4.684 1.00 10.00 C ATOM 96 O THR A 8 -7.428 -9.553 -4.200 1.00 10.00 O ATOM 97 CB THR A 8 -9.478 -10.899 -6.267 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.490 -11.883 -6.053 1.00 10.00 O ATOM 99 CG2 THR A 8 -10.025 -11.145 -7.671 1.00 10.00 C ATOM 0 H THR A 8 -7.265 -10.553 -7.072 1.00 10.00 H new ATOM 0 HA THR A 8 -9.465 -8.746 -6.538 1.00 10.00 H new ATOM 0 HB THR A 8 -10.293 -10.939 -5.544 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.894 -12.773 -6.123 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.490 -12.130 -7.713 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.767 -10.383 -7.911 1.00 10.00 H new ATOM 0 HG23 THR A 8 -9.209 -11.098 -8.393 1.00 10.00 H new ATOM 107 N LEU A 9 -9.473 -8.614 -3.968 1.00 10.00 N ATOM 108 CA LEU A 9 -9.326 -8.272 -2.562 1.00 10.00 C ATOM 109 C LEU A 9 -8.768 -9.458 -1.785 1.00 10.00 C ATOM 110 O LEU A 9 -7.894 -9.265 -0.955 1.00 10.00 O ATOM 111 CB LEU A 9 -10.670 -7.824 -1.968 1.00 10.00 C ATOM 112 CG LEU A 9 -10.569 -6.496 -1.192 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.958 -6.059 -0.707 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.640 -6.586 0.025 1.00 10.00 C ATOM 0 H LEU A 9 -10.380 -8.360 -4.358 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.625 -7.442 -2.481 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.399 -7.715 -2.771 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.044 -8.601 -1.302 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.151 -5.768 -1.887 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.874 -5.120 -0.160 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.616 -5.922 -1.565 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.372 -6.825 -0.051 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.609 -5.621 0.531 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.014 -7.345 0.713 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.636 -6.856 -0.303 1.00 10.00 H new ATOM 126 N GLU A 10 -9.247 -10.674 -2.074 1.00 10.00 N ATOM 127 CA GLU A 10 -8.781 -11.901 -1.441 1.00 10.00 C ATOM 128 C GLU A 10 -7.260 -12.046 -1.540 1.00 10.00 C ATOM 129 O GLU A 10 -6.562 -12.015 -0.531 1.00 10.00 O ATOM 130 CB GLU A 10 -9.501 -13.110 -2.047 1.00 10.00 C ATOM 131 CG GLU A 10 -9.339 -14.354 -1.157 1.00 10.00 C ATOM 132 CD GLU A 10 -10.066 -14.249 0.180 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.180 -13.681 0.182 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.486 -14.743 1.173 1.00 10.00 O ATOM 0 H GLU A 10 -9.980 -10.829 -2.766 1.00 10.00 H new ATOM 0 HA GLU A 10 -9.023 -11.851 -0.379 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.560 -12.882 -2.170 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.101 -13.315 -3.040 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.710 -15.226 -1.695 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.278 -14.522 -0.972 1.00 10.00 H new ATOM 141 N GLU A 11 -6.731 -12.197 -2.756 1.00 10.00 N ATOM 142 CA GLU A 11 -5.300 -12.289 -2.979 1.00 10.00 C ATOM 143 C GLU A 11 -4.580 -11.126 -2.300 1.00 10.00 C ATOM 144 O GLU A 11 -3.625 -11.333 -1.564 1.00 10.00 O ATOM 145 CB GLU A 11 -4.991 -12.348 -4.482 1.00 10.00 C ATOM 146 CG GLU A 11 -4.671 -13.782 -4.921 1.00 10.00 C ATOM 147 CD GLU A 11 -5.834 -14.726 -4.652 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.816 -14.634 -5.416 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.723 -15.500 -3.676 1.00 10.00 O ATOM 0 H GLU A 11 -7.288 -12.258 -3.608 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.932 -13.213 -2.532 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.844 -11.973 -5.047 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.147 -11.697 -4.709 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.433 -13.792 -5.985 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.786 -14.135 -4.392 1.00 10.00 H new ATOM 156 N ILE A 12 -5.048 -9.896 -2.499 1.00 10.00 N ATOM 157 CA ILE A 12 -4.447 -8.755 -1.821 1.00 10.00 C ATOM 158 C ILE A 12 -4.441 -8.944 -0.286 1.00 10.00 C ATOM 159 O ILE A 12 -3.430 -8.693 0.369 1.00 10.00 O ATOM 160 CB ILE A 12 -5.106 -7.455 -2.320 1.00 10.00 C ATOM 161 CG1 ILE A 12 -5.006 -7.321 -3.850 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.426 -6.220 -1.719 1.00 10.00 C ATOM 163 CD1 ILE A 12 -3.547 -7.333 -4.301 1.00 10.00 C ATOM 0 H ILE A 12 -5.829 -9.668 -3.114 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.391 -8.677 -2.078 1.00 10.00 H new ATOM 0 HB ILE A 12 -6.150 -7.510 -2.010 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.546 -8.139 -4.327 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -5.483 -6.395 -4.170 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.914 -5.319 -2.091 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.505 -6.254 -0.632 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.375 -6.208 -2.006 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -3.501 -7.237 -5.386 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -3.017 -6.500 -3.840 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -3.081 -8.271 -3.999 1.00 10.00 H new ATOM 175 N GLN A 13 -5.528 -9.476 0.278 1.00 10.00 N ATOM 176 CA GLN A 13 -5.688 -9.825 1.685 1.00 10.00 C ATOM 177 C GLN A 13 -4.797 -10.997 2.088 1.00 10.00 C ATOM 178 O GLN A 13 -4.469 -11.124 3.259 1.00 10.00 O ATOM 179 CB GLN A 13 -7.154 -10.180 1.996 1.00 10.00 C ATOM 180 CG GLN A 13 -7.980 -9.006 2.546 1.00 10.00 C ATOM 181 CD GLN A 13 -8.284 -9.143 4.039 1.00 10.00 C ATOM 182 OE1 GLN A 13 -8.507 -10.235 4.550 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.314 -8.034 4.771 1.00 10.00 N ATOM 0 H GLN A 13 -6.364 -9.685 -0.268 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.390 -8.949 2.261 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.628 -10.550 1.087 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.174 -10.995 2.720 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.439 -8.075 2.374 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.917 -8.937 1.994 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.127 -7.131 4.336 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.524 -8.086 5.768 1.00 10.00 H new ATOM 192 N LYS A 14 -4.401 -11.878 1.169 1.00 10.00 N ATOM 193 CA LYS A 14 -3.473 -12.949 1.505 1.00 10.00 C ATOM 194 C LYS A 14 -2.109 -12.375 1.942 1.00 10.00 C ATOM 195 O LYS A 14 -1.349 -13.067 2.618 1.00 10.00 O ATOM 196 CB LYS A 14 -3.372 -13.953 0.339 1.00 10.00 C ATOM 197 CG LYS A 14 -4.691 -14.719 0.120 1.00 10.00 C ATOM 198 CD LYS A 14 -4.717 -15.992 0.977 1.00 10.00 C ATOM 199 CE LYS A 14 -6.123 -16.323 1.505 1.00 10.00 C ATOM 200 NZ LYS A 14 -6.058 -17.047 2.791 1.00 10.00 N ATOM 0 H LYS A 14 -4.707 -11.869 0.196 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.853 -13.505 2.362 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.105 -13.422 -0.575 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.570 -14.663 0.540 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.537 -14.082 0.378 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.798 -14.979 -0.933 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.348 -16.831 0.386 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.036 -15.872 1.819 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.692 -15.402 1.632 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.656 -16.928 0.771 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -7.022 -17.256 3.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -5.536 -17.937 2.662 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.571 -16.458 3.496 1.00 10.00 H new ATOM 214 N HIS A 15 -1.796 -11.123 1.575 1.00 10.00 N ATOM 215 CA HIS A 15 -0.521 -10.464 1.850 1.00 10.00 C ATOM 216 C HIS A 15 -0.691 -9.347 2.898 1.00 10.00 C ATOM 217 O HIS A 15 -0.751 -8.165 2.552 1.00 10.00 O ATOM 218 CB HIS A 15 0.035 -9.913 0.530 1.00 10.00 C ATOM 219 CG HIS A 15 0.435 -10.951 -0.492 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.700 -11.130 -0.996 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.379 -11.848 -1.128 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.647 -12.109 -1.913 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.399 -12.588 -2.023 1.00 10.00 N ATOM 0 H HIS A 15 -2.447 -10.527 1.063 1.00 10.00 H new ATOM 0 HA HIS A 15 0.184 -11.183 2.268 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.716 -9.260 0.084 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.904 -9.294 0.752 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.440 -11.964 -0.966 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.493 -12.462 -2.484 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.082 -13.340 -2.635 1.00 10.00 H new ATOM 231 N ASN A 16 -0.751 -9.718 4.186 1.00 10.00 N ATOM 232 CA ASN A 16 -0.997 -8.796 5.300 1.00 10.00 C ATOM 233 C ASN A 16 -0.564 -9.388 6.642 1.00 10.00 C ATOM 234 O ASN A 16 -1.378 -9.628 7.529 1.00 10.00 O ATOM 235 CB ASN A 16 -2.473 -8.388 5.358 1.00 10.00 C ATOM 236 CG ASN A 16 -3.443 -9.562 5.489 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.044 -10.719 5.606 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.739 -9.270 5.430 1.00 10.00 N ATOM 0 H ASN A 16 -0.627 -10.685 4.486 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.391 -7.909 5.116 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.619 -7.714 6.202 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.719 -7.827 4.456 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.433 -10.016 5.482 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.039 -8.300 5.333 1.00 10.00 H new ATOM 245 N ASN A 17 0.740 -9.595 6.817 1.00 10.00 N ATOM 246 CA ASN A 17 1.273 -10.127 8.071 1.00 10.00 C ATOM 247 C ASN A 17 2.615 -9.473 8.379 1.00 10.00 C ATOM 248 O ASN A 17 2.783 -8.831 9.411 1.00 10.00 O ATOM 249 CB ASN A 17 1.400 -11.663 7.981 1.00 10.00 C ATOM 250 CG ASN A 17 0.297 -12.434 8.713 1.00 10.00 C ATOM 251 OD1 ASN A 17 -0.333 -11.941 9.640 1.00 10.00 O ATOM 252 ND2 ASN A 17 0.087 -13.693 8.335 1.00 10.00 N ATOM 0 H ASN A 17 1.447 -9.403 6.107 1.00 10.00 H new ATOM 0 HA ASN A 17 0.589 -9.896 8.887 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.395 -11.955 6.931 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.366 -11.960 8.389 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.607 -14.262 8.820 1.00 10.00 H new ATOM 0 HD22 ASN A 17 0.620 -14.089 7.561 1.00 10.00 H new ATOM 259 N SER A 18 3.582 -9.661 7.480 1.00 10.00 N ATOM 260 CA SER A 18 4.940 -9.141 7.611 1.00 10.00 C ATOM 261 C SER A 18 5.733 -9.518 6.354 1.00 10.00 C ATOM 262 O SER A 18 6.439 -8.687 5.791 1.00 10.00 O ATOM 263 CB SER A 18 5.619 -9.657 8.899 1.00 10.00 C ATOM 264 OG SER A 18 6.013 -8.582 9.743 1.00 10.00 O ATOM 0 H SER A 18 3.437 -10.192 6.621 1.00 10.00 H new ATOM 0 HA SER A 18 4.909 -8.055 7.699 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.933 -10.312 9.437 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.492 -10.255 8.638 1.00 10.00 H new ATOM 0 HG SER A 18 6.438 -8.939 10.551 1.00 10.00 H new ATOM 270 N LYS A 19 5.590 -10.775 5.909 1.00 10.00 N ATOM 271 CA LYS A 19 6.269 -11.312 4.730 1.00 10.00 C ATOM 272 C LYS A 19 6.079 -10.419 3.502 1.00 10.00 C ATOM 273 O LYS A 19 7.042 -10.132 2.795 1.00 10.00 O ATOM 274 CB LYS A 19 5.807 -12.764 4.461 1.00 10.00 C ATOM 275 CG LYS A 19 6.958 -13.755 4.697 1.00 10.00 C ATOM 276 CD LYS A 19 6.526 -15.166 5.133 1.00 10.00 C ATOM 277 CE LYS A 19 5.969 -16.071 4.021 1.00 10.00 C ATOM 278 NZ LYS A 19 4.506 -15.959 3.852 1.00 10.00 N ATOM 0 H LYS A 19 4.987 -11.456 6.370 1.00 10.00 H new ATOM 0 HA LYS A 19 7.339 -11.327 4.936 1.00 10.00 H new ATOM 0 HB2 LYS A 19 4.969 -13.011 5.113 1.00 10.00 H new ATOM 0 HB3 LYS A 19 5.449 -12.853 3.435 1.00 10.00 H new ATOM 0 HG2 LYS A 19 7.540 -13.838 3.779 1.00 10.00 H new ATOM 0 HG3 LYS A 19 7.621 -13.343 5.458 1.00 10.00 H new ATOM 0 HD2 LYS A 19 7.384 -15.664 5.585 1.00 10.00 H new ATOM 0 HD3 LYS A 19 5.768 -15.069 5.910 1.00 10.00 H new ATOM 0 HE2 LYS A 19 6.457 -15.819 3.079 1.00 10.00 H new ATOM 0 HE3 LYS A 19 6.223 -17.107 4.244 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 4.195 -16.593 3.089 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 4.033 -16.226 4.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 4.259 -14.978 3.610 1.00 10.00 H new ATOM 292 N SER A 20 4.841 -9.999 3.239 1.00 10.00 N ATOM 293 CA SER A 20 4.540 -9.021 2.215 1.00 10.00 C ATOM 294 C SER A 20 3.397 -8.137 2.717 1.00 10.00 C ATOM 295 O SER A 20 2.412 -8.644 3.254 1.00 10.00 O ATOM 296 CB SER A 20 4.233 -9.716 0.889 1.00 10.00 C ATOM 297 OG SER A 20 3.376 -10.822 1.079 1.00 10.00 O ATOM 0 H SER A 20 4.019 -10.336 3.739 1.00 10.00 H new ATOM 0 HA SER A 20 5.399 -8.380 2.020 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.770 -9.007 0.203 1.00 10.00 H new ATOM 0 HB3 SER A 20 5.162 -10.048 0.426 1.00 10.00 H new ATOM 0 HG SER A 20 3.048 -11.135 0.210 1.00 10.00 H new ATOM 303 N THR A 21 3.579 -6.825 2.579 1.00 10.00 N ATOM 304 CA THR A 21 2.640 -5.770 2.901 1.00 10.00 C ATOM 305 C THR A 21 2.145 -5.216 1.574 1.00 10.00 C ATOM 306 O THR A 21 2.787 -4.350 0.973 1.00 10.00 O ATOM 307 CB THR A 21 3.346 -4.703 3.753 1.00 10.00 C ATOM 308 OG1 THR A 21 3.525 -5.217 5.059 1.00 10.00 O ATOM 309 CG2 THR A 21 2.595 -3.364 3.810 1.00 10.00 C ATOM 0 H THR A 21 4.454 -6.452 2.211 1.00 10.00 H new ATOM 0 HA THR A 21 1.793 -6.128 3.486 1.00 10.00 H new ATOM 0 HB THR A 21 4.304 -4.486 3.280 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.976 -4.548 5.615 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.152 -2.660 4.429 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.494 -2.960 2.803 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.605 -3.520 4.239 1.00 10.00 H new ATOM 317 N TRP A 22 1.019 -5.759 1.115 1.00 10.00 N ATOM 318 CA TRP A 22 0.301 -5.266 -0.045 1.00 10.00 C ATOM 319 C TRP A 22 -0.866 -4.438 0.456 1.00 10.00 C ATOM 320 O TRP A 22 -1.103 -4.389 1.658 1.00 10.00 O ATOM 321 CB TRP A 22 -0.200 -6.454 -0.856 1.00 10.00 C ATOM 322 CG TRP A 22 0.851 -7.224 -1.588 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.184 -7.166 -1.387 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.673 -8.062 -2.759 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.832 -7.872 -2.370 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.949 -8.416 -3.278 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.454 -8.514 -3.461 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.094 -9.133 -4.475 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.334 -9.222 -4.666 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.941 -9.520 -5.183 1.00 10.00 C ATOM 0 H TRP A 22 0.577 -6.568 1.551 1.00 10.00 H new ATOM 0 HA TRP A 22 0.943 -4.656 -0.681 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.723 -7.135 -0.185 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.932 -6.095 -1.579 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.668 -6.643 -0.575 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.845 -7.981 -2.422 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.438 -8.312 -3.064 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.076 -9.384 -4.848 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.220 -9.538 -5.197 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.034 -10.045 -6.122 1.00 10.00 H new ATOM 341 N LEU A 23 -1.591 -3.782 -0.445 1.00 10.00 N ATOM 342 CA LEU A 23 -2.693 -2.900 -0.114 1.00 10.00 C ATOM 343 C LEU A 23 -3.248 -2.333 -1.410 1.00 10.00 C ATOM 344 O LEU A 23 -2.649 -2.541 -2.464 1.00 10.00 O ATOM 345 CB LEU A 23 -2.291 -1.812 0.896 1.00 10.00 C ATOM 346 CG LEU A 23 -0.905 -1.188 0.651 1.00 10.00 C ATOM 347 CD1 LEU A 23 -0.982 -0.057 -0.365 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.332 -0.648 1.962 1.00 10.00 C ATOM 0 H LEU A 23 -1.420 -3.854 -1.448 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.476 -3.464 0.393 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.040 -1.020 0.874 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.310 -2.241 1.898 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.254 -1.968 0.257 1.00 10.00 H new ATOM 0 HD11 LEU A 23 0.012 0.364 -0.517 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.361 -0.443 -1.311 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.652 0.719 0.005 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.648 -0.209 1.777 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.000 0.113 2.365 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.235 -1.463 2.680 1.00 10.00 H new ATOM 360 N ILE A 24 -4.391 -1.649 -1.317 1.00 10.00 N ATOM 361 CA ILE A 24 -5.147 -1.103 -2.433 1.00 10.00 C ATOM 362 C ILE A 24 -5.338 0.368 -2.097 1.00 10.00 C ATOM 363 O ILE A 24 -5.954 0.684 -1.076 1.00 10.00 O ATOM 364 CB ILE A 24 -6.506 -1.812 -2.577 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.306 -3.308 -2.876 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.378 -1.184 -3.685 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.495 -4.162 -2.418 1.00 10.00 C ATOM 0 H ILE A 24 -4.830 -1.455 -0.417 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.629 -1.242 -3.382 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.026 -1.690 -1.627 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.156 -3.444 -3.947 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.400 -3.656 -2.380 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.326 -1.718 -3.748 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.567 -0.137 -3.450 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.858 -1.253 -4.640 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.303 -5.209 -2.653 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.630 -4.050 -1.342 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.398 -3.835 -2.933 1.00 10.00 H new ATOM 379 N LEU A 25 -4.775 1.237 -2.937 1.00 10.00 N ATOM 380 CA LEU A 25 -4.876 2.681 -2.851 1.00 10.00 C ATOM 381 C LEU A 25 -5.541 3.138 -4.146 1.00 10.00 C ATOM 382 O LEU A 25 -4.876 3.314 -5.160 1.00 10.00 O ATOM 383 CB LEU A 25 -3.467 3.291 -2.706 1.00 10.00 C ATOM 384 CG LEU A 25 -2.852 3.476 -1.318 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.479 2.559 -0.297 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.322 3.321 -1.361 1.00 10.00 C ATOM 0 H LEU A 25 -4.211 0.932 -3.730 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.458 3.001 -1.986 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.783 2.668 -3.283 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.487 4.270 -3.185 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.069 4.496 -1.000 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.013 2.723 0.674 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.547 2.768 -0.227 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.331 1.522 -0.600 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.914 3.458 -0.360 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.067 2.325 -1.724 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.899 4.070 -2.031 1.00 10.00 H new ATOM 398 N HIS A 26 -6.861 3.319 -4.120 1.00 10.00 N ATOM 399 CA HIS A 26 -7.646 3.806 -5.250 1.00 10.00 C ATOM 400 C HIS A 26 -7.614 2.793 -6.394 1.00 10.00 C ATOM 401 O HIS A 26 -7.237 3.119 -7.521 1.00 10.00 O ATOM 402 CB HIS A 26 -7.207 5.203 -5.724 1.00 10.00 C ATOM 403 CG HIS A 26 -6.976 6.214 -4.632 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.896 7.095 -4.111 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.790 6.424 -3.984 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.272 7.809 -3.156 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.986 7.436 -3.042 1.00 10.00 N ATOM 0 H HIS A 26 -7.426 3.126 -3.293 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.675 3.914 -4.906 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.288 5.100 -6.300 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.966 5.593 -6.402 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.864 5.899 -4.169 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.742 8.578 -2.561 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.293 7.816 -2.397 1.00 10.00 H new ATOM 415 N TYR A 27 -8.041 1.564 -6.097 1.00 10.00 N ATOM 416 CA TYR A 27 -8.161 0.483 -7.066 1.00 10.00 C ATOM 417 C TYR A 27 -6.805 0.080 -7.654 1.00 10.00 C ATOM 418 O TYR A 27 -6.764 -0.594 -8.678 1.00 10.00 O ATOM 419 CB TYR A 27 -9.173 0.845 -8.172 1.00 10.00 C ATOM 420 CG TYR A 27 -10.531 1.314 -7.675 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.740 2.650 -7.283 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.593 0.401 -7.595 1.00 10.00 C ATOM 423 CE1 TYR A 27 -11.959 3.032 -6.697 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.810 0.777 -7.003 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.991 2.090 -6.546 1.00 10.00 C ATOM 426 OH TYR A 27 -14.182 2.454 -5.994 1.00 10.00 O ATOM 0 H TYR A 27 -8.318 1.291 -5.154 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.541 -0.389 -6.534 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.741 1.628 -8.796 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.318 -0.027 -8.810 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.961 3.383 -7.433 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.474 -0.597 -7.991 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.103 4.049 -6.363 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.606 0.055 -6.900 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.781 1.679 -5.967 1.00 10.00 H new ATOM 436 N LYS A 28 -5.701 0.476 -7.014 1.00 10.00 N ATOM 437 CA LYS A 28 -4.345 0.246 -7.484 1.00 10.00 C ATOM 438 C LYS A 28 -3.567 -0.431 -6.368 1.00 10.00 C ATOM 439 O LYS A 28 -3.623 0.023 -5.226 1.00 10.00 O ATOM 440 CB LYS A 28 -3.703 1.573 -7.889 1.00 10.00 C ATOM 441 CG LYS A 28 -4.296 2.083 -9.203 1.00 10.00 C ATOM 442 CD LYS A 28 -3.788 3.497 -9.517 1.00 10.00 C ATOM 443 CE LYS A 28 -4.888 4.534 -9.281 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.997 4.384 -10.250 1.00 10.00 N ATOM 0 H LYS A 28 -5.735 0.980 -6.128 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.344 -0.398 -8.363 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.858 2.312 -7.103 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.626 1.444 -7.997 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.028 1.407 -10.015 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.384 2.088 -9.138 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.926 3.726 -8.891 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.452 3.546 -10.553 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.274 4.431 -8.267 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.467 5.536 -9.362 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.500 5.289 -10.345 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.614 4.102 -11.175 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.657 3.655 -9.912 1.00 10.00 H new ATOM 458 N VAL A 29 -2.894 -1.535 -6.694 1.00 10.00 N ATOM 459 CA VAL A 29 -2.174 -2.351 -5.741 1.00 10.00 C ATOM 460 C VAL A 29 -0.704 -1.937 -5.701 1.00 10.00 C ATOM 461 O VAL A 29 -0.086 -1.722 -6.749 1.00 10.00 O ATOM 462 CB VAL A 29 -2.313 -3.829 -6.114 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.760 -4.686 -4.970 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.769 -4.225 -6.377 1.00 10.00 C ATOM 0 H VAL A 29 -2.839 -1.886 -7.650 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.598 -2.203 -4.748 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.752 -3.995 -7.034 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.855 -5.741 -5.227 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.709 -4.445 -4.810 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.322 -4.483 -4.059 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.817 -5.282 -6.638 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.363 -4.045 -5.481 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.165 -3.630 -7.200 1.00 10.00 H new ATOM 474 N TYR A 30 -0.149 -1.861 -4.489 1.00 10.00 N ATOM 475 CA TYR A 30 1.220 -1.440 -4.242 1.00 10.00 C ATOM 476 C TYR A 30 1.901 -2.444 -3.307 1.00 10.00 C ATOM 477 O TYR A 30 1.600 -2.471 -2.115 1.00 10.00 O ATOM 478 CB TYR A 30 1.190 -0.028 -3.650 1.00 10.00 C ATOM 479 CG TYR A 30 0.557 1.001 -4.566 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.345 1.647 -5.530 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.825 1.258 -4.517 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.764 2.584 -6.401 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.394 2.209 -5.383 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.594 2.895 -6.301 1.00 10.00 C ATOM 485 OH TYR A 30 -1.135 3.825 -7.137 1.00 10.00 O ATOM 0 H TYR A 30 -0.656 -2.097 -3.636 1.00 10.00 H new ATOM 0 HA TYR A 30 1.798 -1.414 -5.166 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.642 -0.050 -2.708 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.209 0.282 -3.419 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.399 1.424 -5.603 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.449 0.725 -3.815 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.371 3.067 -7.152 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.454 2.410 -5.338 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.649 3.822 -7.988 1.00 10.00 H new ATOM 495 N ASP A 31 2.805 -3.268 -3.848 1.00 10.00 N ATOM 496 CA ASP A 31 3.658 -4.158 -3.069 1.00 10.00 C ATOM 497 C ASP A 31 4.845 -3.345 -2.589 1.00 10.00 C ATOM 498 O ASP A 31 5.695 -2.974 -3.397 1.00 10.00 O ATOM 499 CB ASP A 31 4.168 -5.313 -3.936 1.00 10.00 C ATOM 500 CG ASP A 31 5.228 -6.167 -3.247 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.069 -6.414 -2.030 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.126 -6.654 -3.963 1.00 10.00 O ATOM 0 H ASP A 31 2.963 -3.333 -4.854 1.00 10.00 H new ATOM 0 HA ASP A 31 3.093 -4.575 -2.235 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.326 -5.947 -4.215 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.582 -4.909 -4.860 1.00 10.00 H new ATOM 507 N LEU A 32 4.884 -3.032 -1.295 1.00 10.00 N ATOM 508 CA LEU A 32 6.016 -2.358 -0.709 1.00 10.00 C ATOM 509 C LEU A 32 6.822 -3.364 0.113 1.00 10.00 C ATOM 510 O LEU A 32 7.696 -4.030 -0.434 1.00 10.00 O ATOM 511 CB LEU A 32 5.551 -1.111 0.044 1.00 10.00 C ATOM 512 CG LEU A 32 4.763 -0.147 -0.871 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.307 -0.048 -0.409 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.454 1.214 -0.850 1.00 10.00 C ATOM 0 H LEU A 32 4.133 -3.241 -0.637 1.00 10.00 H new ATOM 0 HA LEU A 32 6.700 -1.980 -1.469 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.924 -1.407 0.885 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.416 -0.593 0.458 1.00 10.00 H new ATOM 0 HG LEU A 32 4.750 -0.522 -1.894 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.764 0.634 -1.062 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.845 -1.034 -0.449 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.275 0.326 0.614 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.911 1.908 -1.491 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.469 1.599 0.170 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.476 1.109 -1.213 1.00 10.00 H new ATOM 526 N THR A 33 6.558 -3.479 1.419 1.00 10.00 N ATOM 527 CA THR A 33 7.257 -4.344 2.363 1.00 10.00 C ATOM 528 C THR A 33 8.720 -3.932 2.587 1.00 10.00 C ATOM 529 O THR A 33 9.116 -3.566 3.689 1.00 10.00 O ATOM 530 CB THR A 33 7.016 -5.832 2.045 1.00 10.00 C ATOM 531 OG1 THR A 33 6.170 -6.360 3.043 1.00 10.00 O ATOM 532 CG2 THR A 33 8.271 -6.694 2.008 1.00 10.00 C ATOM 0 H THR A 33 5.813 -2.943 1.864 1.00 10.00 H new ATOM 0 HA THR A 33 6.816 -4.198 3.349 1.00 10.00 H new ATOM 0 HB THR A 33 6.587 -5.861 1.043 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.557 -7.189 3.395 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.998 -7.724 1.777 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.949 -6.317 1.242 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.765 -6.659 2.979 1.00 10.00 H new ATOM 540 N LYS A 34 9.532 -3.920 1.536 1.00 10.00 N ATOM 541 CA LYS A 34 10.916 -3.492 1.600 1.00 10.00 C ATOM 542 C LYS A 34 10.994 -1.977 1.740 1.00 10.00 C ATOM 543 O LYS A 34 12.071 -1.448 1.972 1.00 10.00 O ATOM 544 CB LYS A 34 11.636 -4.013 0.353 1.00 10.00 C ATOM 545 CG LYS A 34 11.941 -5.502 0.555 1.00 10.00 C ATOM 546 CD LYS A 34 11.890 -6.267 -0.769 1.00 10.00 C ATOM 547 CE LYS A 34 12.293 -7.728 -0.522 1.00 10.00 C ATOM 548 NZ LYS A 34 11.969 -8.597 -1.671 1.00 10.00 N ATOM 0 H LYS A 34 9.239 -4.212 0.604 1.00 10.00 H new ATOM 0 HA LYS A 34 11.412 -3.904 2.479 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.014 -3.870 -0.531 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.558 -3.456 0.188 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.928 -5.615 1.005 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.222 -5.931 1.253 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.886 -6.220 -1.192 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.563 -5.809 -1.494 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.363 -7.779 -0.320 1.00 10.00 H new ATOM 0 HE3 LYS A 34 11.783 -8.099 0.367 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.258 -9.573 -1.460 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.945 -8.570 -1.849 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 12.476 -8.260 -2.515 1.00 10.00 H new ATOM 562 N PHE A 35 9.851 -1.292 1.637 1.00 10.00 N ATOM 563 CA PHE A 35 9.758 0.136 1.840 1.00 10.00 C ATOM 564 C PHE A 35 9.104 0.457 3.185 1.00 10.00 C ATOM 565 O PHE A 35 8.760 1.603 3.408 1.00 10.00 O ATOM 566 CB PHE A 35 8.955 0.739 0.684 1.00 10.00 C ATOM 567 CG PHE A 35 9.322 2.167 0.318 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.637 2.467 -0.085 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.360 3.195 0.375 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.992 3.785 -0.414 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.714 4.514 0.041 1.00 10.00 C ATOM 572 CZ PHE A 35 10.036 4.811 -0.336 1.00 10.00 C ATOM 0 H PHE A 35 8.959 -1.730 1.407 1.00 10.00 H new ATOM 0 HA PHE A 35 10.758 0.569 1.858 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.087 0.110 -0.196 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.897 0.708 0.942 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.375 1.681 -0.141 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.348 2.969 0.676 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.001 4.010 -0.727 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.972 5.298 0.074 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.316 5.828 -0.566 1.00 10.00 H new ATOM 582 N LEU A 36 8.866 -0.511 4.077 1.00 10.00 N ATOM 583 CA LEU A 36 8.203 -0.212 5.349 1.00 10.00 C ATOM 584 C LEU A 36 9.014 0.774 6.188 1.00 10.00 C ATOM 585 O LEU A 36 8.510 1.833 6.558 1.00 10.00 O ATOM 586 CB LEU A 36 7.940 -1.492 6.148 1.00 10.00 C ATOM 587 CG LEU A 36 6.930 -2.410 5.462 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.013 -3.808 6.084 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.510 -1.866 5.545 1.00 10.00 C ATOM 0 H LEU A 36 9.118 -1.491 3.945 1.00 10.00 H new ATOM 0 HA LEU A 36 7.246 0.253 5.110 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.878 -2.029 6.288 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.572 -1.229 7.140 1.00 10.00 H new ATOM 0 HG LEU A 36 7.183 -2.463 4.403 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.294 -4.466 5.597 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.018 -4.207 5.950 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.786 -3.747 7.148 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.828 -2.552 5.044 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.220 -1.765 6.591 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.465 -0.891 5.060 1.00 10.00 H new ATOM 601 N GLU A 37 10.260 0.419 6.499 1.00 10.00 N ATOM 602 CA GLU A 37 11.144 1.274 7.270 1.00 10.00 C ATOM 603 C GLU A 37 11.530 2.523 6.466 1.00 10.00 C ATOM 604 O GLU A 37 11.614 3.619 7.017 1.00 10.00 O ATOM 605 CB GLU A 37 12.346 0.456 7.759 1.00 10.00 C ATOM 606 CG GLU A 37 13.178 -0.204 6.643 1.00 10.00 C ATOM 607 CD GLU A 37 14.621 0.282 6.681 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.803 1.508 6.527 1.00 10.00 O ATOM 609 OE2 GLU A 37 15.506 -0.573 6.898 1.00 10.00 O ATOM 0 H GLU A 37 10.679 -0.469 6.221 1.00 10.00 H new ATOM 0 HA GLU A 37 10.631 1.646 8.157 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.998 1.107 8.341 1.00 10.00 H new ATOM 0 HB3 GLU A 37 11.988 -0.322 8.433 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.152 -1.288 6.757 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.738 0.025 5.672 1.00 10.00 H new ATOM 616 N GLU A 38 11.708 2.361 5.150 1.00 10.00 N ATOM 617 CA GLU A 38 12.094 3.430 4.247 1.00 10.00 C ATOM 618 C GLU A 38 10.983 4.474 4.135 1.00 10.00 C ATOM 619 O GLU A 38 11.246 5.670 4.029 1.00 10.00 O ATOM 620 CB GLU A 38 12.402 2.844 2.869 1.00 10.00 C ATOM 621 CG GLU A 38 13.488 1.755 2.907 1.00 10.00 C ATOM 622 CD GLU A 38 14.333 1.746 1.633 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.830 2.836 1.274 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.457 0.664 1.023 1.00 10.00 O ATOM 0 H GLU A 38 11.583 1.463 4.683 1.00 10.00 H new ATOM 0 HA GLU A 38 12.983 3.921 4.643 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.489 2.424 2.447 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.722 3.645 2.203 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.134 1.917 3.770 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.019 0.780 3.038 1.00 10.00 H new ATOM 631 N HIS A 39 9.731 4.010 4.119 1.00 10.00 N ATOM 632 CA HIS A 39 8.557 4.848 3.994 1.00 10.00 C ATOM 633 C HIS A 39 8.571 5.906 5.101 1.00 10.00 C ATOM 634 O HIS A 39 8.505 5.554 6.283 1.00 10.00 O ATOM 635 CB HIS A 39 7.290 3.995 4.068 1.00 10.00 C ATOM 636 CG HIS A 39 6.039 4.804 4.227 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.381 5.006 5.411 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.382 5.496 3.248 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.329 5.792 5.144 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.283 6.125 3.839 1.00 10.00 N ATOM 0 H HIS A 39 9.511 3.017 4.195 1.00 10.00 H new ATOM 0 HA HIS A 39 8.567 5.351 3.027 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.212 3.393 3.163 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.375 3.302 4.905 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.642 4.630 6.322 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.662 5.547 2.206 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.610 6.117 5.881 1.00 10.00 H new ATOM 648 N PRO A 40 8.620 7.197 4.738 1.00 10.00 N ATOM 649 CA PRO A 40 8.705 8.280 5.697 1.00 10.00 C ATOM 650 C PRO A 40 7.351 8.451 6.397 1.00 10.00 C ATOM 651 O PRO A 40 6.566 9.340 6.089 1.00 10.00 O ATOM 652 CB PRO A 40 9.180 9.493 4.894 1.00 10.00 C ATOM 653 CG PRO A 40 8.715 9.211 3.464 1.00 10.00 C ATOM 654 CD PRO A 40 8.637 7.692 3.371 1.00 10.00 C ATOM 0 HA PRO A 40 9.409 8.105 6.511 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.747 10.417 5.277 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.263 9.603 4.945 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.746 9.669 3.266 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.415 9.616 2.733 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.741 7.381 2.834 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.491 7.292 2.824 1.00 10.00 H new ATOM 662 N GLY A 41 7.077 7.558 7.346 1.00 10.00 N ATOM 663 CA GLY A 41 5.857 7.532 8.136 1.00 10.00 C ATOM 664 C GLY A 41 6.065 6.731 9.417 1.00 10.00 C ATOM 665 O GLY A 41 5.567 7.116 10.471 1.00 10.00 O ATOM 0 H GLY A 41 7.724 6.808 7.591 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.555 8.550 8.382 1.00 10.00 H new ATOM 0 HA3 GLY A 41 5.049 7.092 7.552 1.00 10.00 H new ATOM 669 N GLY A 42 6.798 5.615 9.325 1.00 10.00 N ATOM 670 CA GLY A 42 7.029 4.722 10.447 1.00 10.00 C ATOM 671 C GLY A 42 6.187 3.464 10.261 1.00 10.00 C ATOM 672 O GLY A 42 4.957 3.520 10.286 1.00 10.00 O ATOM 0 H GLY A 42 7.247 5.312 8.461 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.086 4.462 10.510 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.766 5.216 11.382 1.00 10.00 H new ATOM 676 N GLU A 43 6.862 2.337 10.030 1.00 10.00 N ATOM 677 CA GLU A 43 6.272 1.022 9.872 1.00 10.00 C ATOM 678 C GLU A 43 5.320 0.656 11.013 1.00 10.00 C ATOM 679 O GLU A 43 5.692 0.091 12.036 1.00 10.00 O ATOM 680 CB GLU A 43 7.381 -0.006 9.700 1.00 10.00 C ATOM 681 CG GLU A 43 8.491 0.035 10.760 1.00 10.00 C ATOM 682 CD GLU A 43 9.401 -1.169 10.579 1.00 10.00 C ATOM 683 OE1 GLU A 43 9.782 -1.409 9.415 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.629 -1.867 11.590 1.00 10.00 O ATOM 0 H GLU A 43 7.878 2.323 9.946 1.00 10.00 H new ATOM 0 HA GLU A 43 5.651 1.031 8.976 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.935 -1.000 9.705 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.834 0.135 8.719 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.065 0.957 10.667 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.056 0.030 11.759 1.00 10.00 H new ATOM 691 N ALA A 44 4.048 0.949 10.794 1.00 10.00 N ATOM 692 CA ALA A 44 2.993 0.747 11.764 1.00 10.00 C ATOM 693 C ALA A 44 1.691 0.863 11.000 1.00 10.00 C ATOM 694 O ALA A 44 1.086 -0.149 10.663 1.00 10.00 O ATOM 695 CB ALA A 44 3.098 1.772 12.902 1.00 10.00 C ATOM 0 H ALA A 44 3.716 1.343 9.914 1.00 10.00 H new ATOM 0 HA ALA A 44 3.062 -0.230 12.243 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.296 1.602 13.620 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.061 1.664 13.402 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.012 2.779 12.494 1.00 10.00 H new ATOM 701 N VAL A 45 1.302 2.084 10.633 1.00 10.00 N ATOM 702 CA VAL A 45 0.093 2.272 9.858 1.00 10.00 C ATOM 703 C VAL A 45 0.242 1.642 8.473 1.00 10.00 C ATOM 704 O VAL A 45 -0.681 0.941 8.057 1.00 10.00 O ATOM 705 CB VAL A 45 -0.353 3.741 9.845 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.562 4.612 8.979 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.821 3.863 9.401 1.00 10.00 C ATOM 0 H VAL A 45 1.804 2.942 10.860 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.727 1.742 10.343 1.00 10.00 H new ATOM 0 HB VAL A 45 -0.273 4.114 10.866 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.209 5.643 8.999 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.579 4.569 9.368 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.550 4.244 7.953 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -2.115 4.913 9.399 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.933 3.454 8.397 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.457 3.309 10.092 1.00 10.00 H new ATOM 717 N LEU A 46 1.383 1.804 7.764 1.00 10.00 N ATOM 718 CA LEU A 46 1.462 1.156 6.464 1.00 10.00 C ATOM 719 C LEU A 46 1.371 -0.379 6.606 1.00 10.00 C ATOM 720 O LEU A 46 0.890 -1.057 5.703 1.00 10.00 O ATOM 721 CB LEU A 46 2.719 1.692 5.769 1.00 10.00 C ATOM 722 CG LEU A 46 3.257 0.842 4.618 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.308 0.800 3.423 1.00 10.00 C ATOM 724 CD2 LEU A 46 4.599 1.442 4.190 1.00 10.00 C ATOM 0 H LEU A 46 2.200 2.341 8.054 1.00 10.00 H new ATOM 0 HA LEU A 46 0.613 1.395 5.824 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.503 2.690 5.388 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.506 1.799 6.515 1.00 10.00 H new ATOM 0 HG LEU A 46 3.365 -0.186 4.964 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.741 0.183 2.636 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.352 0.377 3.732 1.00 10.00 H new ATOM 0 HD13 LEU A 46 2.152 1.811 3.046 1.00 10.00 H new ATOM 0 HD21 LEU A 46 5.013 0.858 3.368 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.450 2.472 3.865 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.291 1.424 5.032 1.00 10.00 H new ATOM 736 N ARG A 47 1.785 -0.932 7.752 1.00 10.00 N ATOM 737 CA ARG A 47 1.714 -2.363 8.020 1.00 10.00 C ATOM 738 C ARG A 47 0.281 -2.777 8.390 1.00 10.00 C ATOM 739 O ARG A 47 -0.229 -3.769 7.884 1.00 10.00 O ATOM 740 CB ARG A 47 2.718 -2.711 9.129 1.00 10.00 C ATOM 741 CG ARG A 47 2.951 -4.225 9.279 1.00 10.00 C ATOM 742 CD ARG A 47 4.250 -4.721 8.615 1.00 10.00 C ATOM 743 NE ARG A 47 5.121 -5.438 9.567 1.00 10.00 N ATOM 744 CZ ARG A 47 5.805 -4.862 10.572 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.731 -3.540 10.768 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.546 -5.621 11.384 1.00 10.00 N ATOM 0 H ARG A 47 2.180 -0.391 8.521 1.00 10.00 H new ATOM 0 HA ARG A 47 1.979 -2.922 7.123 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.669 -2.222 8.916 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.358 -2.309 10.076 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.977 -4.476 10.339 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.105 -4.758 8.845 1.00 10.00 H new ATOM 0 HD2 ARG A 47 4.003 -5.380 7.783 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.791 -3.871 8.198 1.00 10.00 H new ATOM 0 HE ARG A 47 5.211 -6.448 9.454 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.154 -2.965 10.154 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.251 -3.108 11.531 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.590 -6.630 11.240 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.068 -5.192 12.148 1.00 10.00 H new ATOM 760 N ALA A 48 -0.381 -2.031 9.275 1.00 10.00 N ATOM 761 CA ALA A 48 -1.711 -2.367 9.772 1.00 10.00 C ATOM 762 C ALA A 48 -2.751 -2.275 8.660 1.00 10.00 C ATOM 763 O ALA A 48 -3.652 -3.105 8.584 1.00 10.00 O ATOM 764 CB ALA A 48 -2.076 -1.461 10.952 1.00 10.00 C ATOM 0 H ALA A 48 -0.004 -1.169 9.669 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.701 -3.399 10.122 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.070 -1.720 11.316 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.350 -1.597 11.753 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.068 -0.420 10.628 1.00 10.00 H new ATOM 770 N GLN A 49 -2.628 -1.269 7.793 1.00 10.00 N ATOM 771 CA GLN A 49 -3.497 -1.117 6.641 1.00 10.00 C ATOM 772 C GLN A 49 -3.137 -2.083 5.510 1.00 10.00 C ATOM 773 O GLN A 49 -3.830 -2.136 4.495 1.00 10.00 O ATOM 774 CB GLN A 49 -3.362 0.327 6.174 1.00 10.00 C ATOM 775 CG GLN A 49 -4.024 1.296 7.157 1.00 10.00 C ATOM 776 CD GLN A 49 -5.524 1.038 7.281 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.216 0.930 6.278 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.043 0.946 8.501 1.00 10.00 N ATOM 0 H GLN A 49 -1.920 -0.539 7.876 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.524 -1.353 6.921 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.307 0.579 6.067 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.818 0.437 5.190 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.556 1.197 8.136 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.857 2.321 6.826 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.442 1.040 9.319 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.043 0.781 8.619 1.00 10.00 H new ATOM 787 N ALA A 50 -2.042 -2.832 5.652 1.00 10.00 N ATOM 788 CA ALA A 50 -1.699 -3.834 4.665 1.00 10.00 C ATOM 789 C ALA A 50 -2.832 -4.859 4.539 1.00 10.00 C ATOM 790 O ALA A 50 -3.479 -5.201 5.527 1.00 10.00 O ATOM 791 CB ALA A 50 -0.399 -4.533 5.049 1.00 10.00 C ATOM 0 H ALA A 50 -1.391 -2.759 6.433 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.559 -3.342 3.702 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.154 -5.284 4.298 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.406 -3.800 5.105 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.518 -5.016 6.019 1.00 10.00 H new ATOM 797 N GLY A 51 -3.066 -5.358 3.327 1.00 10.00 N ATOM 798 CA GLY A 51 -4.119 -6.309 3.007 1.00 10.00 C ATOM 799 C GLY A 51 -5.133 -5.712 2.046 1.00 10.00 C ATOM 800 O GLY A 51 -5.808 -6.451 1.336 1.00 10.00 O ATOM 0 H GLY A 51 -2.506 -5.100 2.515 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.681 -7.204 2.566 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.622 -6.619 3.923 1.00 10.00 H new ATOM 804 N GLY A 52 -5.249 -4.383 2.016 1.00 10.00 N ATOM 805 CA GLY A 52 -6.207 -3.689 1.176 1.00 10.00 C ATOM 806 C GLY A 52 -7.006 -2.710 2.014 1.00 10.00 C ATOM 807 O GLY A 52 -6.798 -2.612 3.220 1.00 10.00 O ATOM 0 H GLY A 52 -4.673 -3.760 2.581 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.688 -3.160 0.377 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.876 -4.407 0.701 1.00 10.00 H new ATOM 811 N ASP A 53 -7.905 -1.984 1.347 1.00 10.00 N ATOM 812 CA ASP A 53 -8.799 -1.023 1.975 1.00 10.00 C ATOM 813 C ASP A 53 -8.004 0.077 2.681 1.00 10.00 C ATOM 814 O ASP A 53 -8.412 0.605 3.710 1.00 10.00 O ATOM 815 CB ASP A 53 -9.773 -1.750 2.914 1.00 10.00 C ATOM 816 CG ASP A 53 -10.998 -0.898 3.215 1.00 10.00 C ATOM 817 OD1 ASP A 53 -11.660 -0.514 2.226 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.268 -0.668 4.412 1.00 10.00 O ATOM 0 H ASP A 53 -8.030 -2.052 0.337 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.396 -0.528 1.209 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.085 -2.690 2.459 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.264 -2.000 3.845 1.00 10.00 H new ATOM 823 N ALA A 54 -6.864 0.458 2.094 1.00 10.00 N ATOM 824 CA ALA A 54 -6.004 1.473 2.670 1.00 10.00 C ATOM 825 C ALA A 54 -6.168 2.773 1.906 1.00 10.00 C ATOM 826 O ALA A 54 -5.416 3.705 2.150 1.00 10.00 O ATOM 827 CB ALA A 54 -4.549 1.013 2.639 1.00 10.00 C ATOM 0 H ALA A 54 -6.522 0.070 1.215 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.288 1.636 3.710 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -3.914 1.785 3.074 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.446 0.092 3.213 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.246 0.833 1.607 1.00 10.00 H new ATOM 833 N THR A 55 -7.118 2.850 0.971 1.00 10.00 N ATOM 834 CA THR A 55 -7.310 4.038 0.165 1.00 10.00 C ATOM 835 C THR A 55 -7.629 5.219 1.079 1.00 10.00 C ATOM 836 O THR A 55 -6.887 6.198 1.104 1.00 10.00 O ATOM 837 CB THR A 55 -8.399 3.783 -0.889 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.116 2.626 -1.654 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.434 4.954 -1.862 1.00 10.00 C ATOM 0 H THR A 55 -7.767 2.092 0.759 1.00 10.00 H new ATOM 0 HA THR A 55 -6.399 4.285 -0.380 1.00 10.00 H new ATOM 0 HB THR A 55 -9.345 3.657 -0.362 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.316 2.186 -1.297 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.205 4.780 -2.613 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.658 5.872 -1.319 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.465 5.049 -2.352 1.00 10.00 H new ATOM 847 N ALA A 56 -8.702 5.086 1.864 1.00 10.00 N ATOM 848 CA ALA A 56 -9.168 6.114 2.784 1.00 10.00 C ATOM 849 C ALA A 56 -8.099 6.439 3.831 1.00 10.00 C ATOM 850 O ALA A 56 -7.963 7.579 4.258 1.00 10.00 O ATOM 851 CB ALA A 56 -10.477 5.664 3.438 1.00 10.00 C ATOM 0 H ALA A 56 -9.278 4.244 1.874 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.358 7.031 2.226 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.824 6.435 4.126 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.231 5.499 2.668 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.310 4.737 3.986 1.00 10.00 H new ATOM 857 N ASN A 57 -7.321 5.437 4.243 1.00 10.00 N ATOM 858 CA ASN A 57 -6.288 5.601 5.257 1.00 10.00 C ATOM 859 C ASN A 57 -5.084 6.362 4.690 1.00 10.00 C ATOM 860 O ASN A 57 -4.588 7.306 5.297 1.00 10.00 O ATOM 861 CB ASN A 57 -5.898 4.224 5.812 1.00 10.00 C ATOM 862 CG ASN A 57 -6.188 4.133 7.308 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.333 3.973 7.712 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.165 4.219 8.155 1.00 10.00 N ATOM 0 H ASN A 57 -7.393 4.487 3.879 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.674 6.201 6.081 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.449 3.446 5.284 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.838 4.043 5.632 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -5.328 4.152 9.160 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.218 4.352 7.799 1.00 10.00 H new ATOM 871 N PHE A 58 -4.610 5.937 3.518 1.00 10.00 N ATOM 872 CA PHE A 58 -3.557 6.590 2.749 1.00 10.00 C ATOM 873 C PHE A 58 -3.906 8.055 2.490 1.00 10.00 C ATOM 874 O PHE A 58 -3.108 8.955 2.767 1.00 10.00 O ATOM 875 CB PHE A 58 -3.378 5.846 1.419 1.00 10.00 C ATOM 876 CG PHE A 58 -2.456 6.530 0.427 1.00 10.00 C ATOM 877 CD1 PHE A 58 -2.964 7.464 -0.495 1.00 10.00 C ATOM 878 CD2 PHE A 58 -1.105 6.159 0.362 1.00 10.00 C ATOM 879 CE1 PHE A 58 -2.100 8.096 -1.405 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.245 6.769 -0.568 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.739 7.751 -1.440 1.00 10.00 C ATOM 0 H PHE A 58 -4.965 5.096 3.063 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.627 6.561 3.317 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -2.990 4.849 1.626 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.356 5.718 0.956 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.019 7.695 -0.503 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -0.723 5.401 1.030 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.483 8.848 -2.079 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.795 6.482 -0.611 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.074 8.240 -2.136 1.00 10.00 H new ATOM 891 N GLU A 59 -5.086 8.288 1.910 1.00 10.00 N ATOM 892 CA GLU A 59 -5.511 9.630 1.549 1.00 10.00 C ATOM 893 C GLU A 59 -5.724 10.487 2.794 1.00 10.00 C ATOM 894 O GLU A 59 -5.439 11.680 2.749 1.00 10.00 O ATOM 895 CB GLU A 59 -6.713 9.589 0.601 1.00 10.00 C ATOM 896 CG GLU A 59 -7.983 9.029 1.241 1.00 10.00 C ATOM 897 CD GLU A 59 -8.917 10.065 1.856 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.452 11.198 2.095 1.00 10.00 O ATOM 899 OE2 GLU A 59 -10.093 9.696 2.057 1.00 10.00 O ATOM 0 H GLU A 59 -5.761 7.558 1.682 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.715 10.120 0.988 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -6.914 10.598 0.239 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.458 8.983 -0.269 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.535 8.471 0.485 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.696 8.318 2.016 1.00 10.00 H new ATOM 906 N ALA A 60 -6.120 9.868 3.916 1.00 10.00 N ATOM 907 CA ALA A 60 -6.258 10.549 5.204 1.00 10.00 C ATOM 908 C ALA A 60 -5.060 11.457 5.501 1.00 10.00 C ATOM 909 O ALA A 60 -5.219 12.532 6.074 1.00 10.00 O ATOM 910 CB ALA A 60 -6.440 9.554 6.363 1.00 10.00 C ATOM 0 H ALA A 60 -6.354 8.876 3.951 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.155 11.164 5.125 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.539 10.101 7.300 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.338 8.959 6.194 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -5.573 8.896 6.417 1.00 10.00 H new ATOM 916 N VAL A 61 -3.856 11.009 5.128 1.00 10.00 N ATOM 917 CA VAL A 61 -2.637 11.793 5.255 1.00 10.00 C ATOM 918 C VAL A 61 -2.606 12.887 4.183 1.00 10.00 C ATOM 919 O VAL A 61 -2.361 14.052 4.484 1.00 10.00 O ATOM 920 CB VAL A 61 -1.421 10.860 5.141 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.109 11.654 5.165 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.420 9.837 6.283 1.00 10.00 C ATOM 0 H VAL A 61 -3.706 10.083 4.727 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.607 12.281 6.229 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.495 10.337 4.187 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.733 10.967 5.083 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.091 12.352 4.328 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.036 12.208 6.101 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.552 9.185 6.186 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.377 10.359 7.239 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.330 9.239 6.237 1.00 10.00 H new ATOM 932 N GLY A 62 -2.810 12.494 2.924 1.00 10.00 N ATOM 933 CA GLY A 62 -2.867 13.386 1.775 1.00 10.00 C ATOM 934 C GLY A 62 -1.892 12.905 0.711 1.00 10.00 C ATOM 935 O GLY A 62 -2.312 12.535 -0.383 1.00 10.00 O ATOM 0 H GLY A 62 -2.944 11.514 2.673 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.879 13.412 1.371 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.619 14.403 2.078 1.00 10.00 H new ATOM 939 N HIS A 63 -0.602 12.890 1.069 1.00 10.00 N ATOM 940 CA HIS A 63 0.521 12.495 0.225 1.00 10.00 C ATOM 941 C HIS A 63 0.764 13.494 -0.928 1.00 10.00 C ATOM 942 O HIS A 63 -0.161 13.916 -1.619 1.00 10.00 O ATOM 943 CB HIS A 63 0.367 11.037 -0.250 1.00 10.00 C ATOM 944 CG HIS A 63 0.555 9.997 0.835 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.420 9.307 1.529 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.757 9.450 1.185 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.203 8.376 2.280 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.536 8.411 2.098 1.00 10.00 N ATOM 0 H HIS A 63 -0.303 13.168 2.004 1.00 10.00 H new ATOM 0 HA HIS A 63 1.427 12.531 0.831 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.625 10.913 -0.686 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.090 10.849 -1.044 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.426 9.471 1.482 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.722 9.767 0.817 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.303 7.690 2.943 1.00 10.00 H new ATOM 956 N SER A 64 2.025 13.899 -1.127 1.00 10.00 N ATOM 957 CA SER A 64 2.411 14.879 -2.145 1.00 10.00 C ATOM 958 C SER A 64 2.600 14.215 -3.514 1.00 10.00 C ATOM 959 O SER A 64 2.536 12.994 -3.647 1.00 10.00 O ATOM 960 CB SER A 64 3.683 15.634 -1.706 1.00 10.00 C ATOM 961 OG SER A 64 3.366 16.959 -1.329 1.00 10.00 O ATOM 0 H SER A 64 2.812 13.551 -0.579 1.00 10.00 H new ATOM 0 HA SER A 64 1.603 15.603 -2.247 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.152 15.114 -0.871 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.407 15.645 -2.521 1.00 10.00 H new ATOM 0 HG SER A 64 4.183 17.424 -1.052 1.00 10.00 H new ATOM 967 N THR A 65 2.863 15.022 -4.545 1.00 10.00 N ATOM 968 CA THR A 65 3.058 14.545 -5.904 1.00 10.00 C ATOM 969 C THR A 65 4.160 13.495 -5.963 1.00 10.00 C ATOM 970 O THR A 65 3.956 12.426 -6.526 1.00 10.00 O ATOM 971 CB THR A 65 3.367 15.731 -6.821 1.00 10.00 C ATOM 972 OG1 THR A 65 2.532 16.808 -6.438 1.00 10.00 O ATOM 973 CG2 THR A 65 3.150 15.368 -8.296 1.00 10.00 C ATOM 0 H THR A 65 2.946 16.034 -4.452 1.00 10.00 H new ATOM 0 HA THR A 65 2.142 14.066 -6.248 1.00 10.00 H new ATOM 0 HB THR A 65 4.415 16.012 -6.718 1.00 10.00 H new ATOM 0 HG1 THR A 65 2.713 17.582 -7.011 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.378 16.232 -8.921 1.00 10.00 H new ATOM 0 HG22 THR A 65 3.806 14.541 -8.567 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.112 15.073 -8.449 1.00 10.00 H new ATOM 981 N ASP A 66 5.308 13.787 -5.343 1.00 10.00 N ATOM 982 CA ASP A 66 6.443 12.874 -5.297 1.00 10.00 C ATOM 983 C ASP A 66 5.985 11.499 -4.821 1.00 10.00 C ATOM 984 O ASP A 66 6.300 10.480 -5.417 1.00 10.00 O ATOM 985 CB ASP A 66 7.516 13.439 -4.353 1.00 10.00 C ATOM 986 CG ASP A 66 8.936 13.020 -4.729 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.166 12.727 -5.920 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.777 13.033 -3.806 1.00 10.00 O ATOM 0 H ASP A 66 5.472 14.669 -4.858 1.00 10.00 H new ATOM 0 HA ASP A 66 6.868 12.771 -6.295 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.454 14.527 -4.354 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.305 13.109 -3.336 1.00 10.00 H new ATOM 993 N ALA A 67 5.172 11.485 -3.764 1.00 10.00 N ATOM 994 CA ALA A 67 4.578 10.265 -3.232 1.00 10.00 C ATOM 995 C ALA A 67 3.630 9.607 -4.242 1.00 10.00 C ATOM 996 O ALA A 67 3.717 8.402 -4.474 1.00 10.00 O ATOM 997 CB ALA A 67 3.855 10.568 -1.920 1.00 10.00 C ATOM 0 H ALA A 67 4.908 12.327 -3.252 1.00 10.00 H new ATOM 0 HA ALA A 67 5.381 9.553 -3.038 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.413 9.652 -1.528 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.566 10.967 -1.196 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.069 11.302 -2.099 1.00 10.00 H new ATOM 1003 N ARG A 68 2.725 10.393 -4.834 1.00 10.00 N ATOM 1004 CA ARG A 68 1.761 9.940 -5.837 1.00 10.00 C ATOM 1005 C ARG A 68 2.455 9.362 -7.085 1.00 10.00 C ATOM 1006 O ARG A 68 1.891 8.506 -7.767 1.00 10.00 O ATOM 1007 CB ARG A 68 0.836 11.111 -6.212 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.161 11.459 -5.092 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.775 12.854 -5.261 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.239 12.863 -5.083 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.121 12.407 -5.988 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.670 11.849 -7.117 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.437 12.503 -5.769 1.00 10.00 N ATOM 0 H ARG A 68 2.642 11.387 -4.622 1.00 10.00 H new ATOM 0 HA ARG A 68 1.170 9.131 -5.409 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.441 11.988 -6.441 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.285 10.859 -7.118 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.958 10.715 -5.076 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.346 11.404 -4.129 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.322 13.534 -4.540 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.533 13.234 -6.253 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.608 13.242 -4.211 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.666 11.773 -7.283 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -3.330 11.499 -7.812 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.781 12.926 -4.907 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -5.097 12.153 -6.464 1.00 10.00 H new ATOM 1027 N GLU A 69 3.659 9.846 -7.399 1.00 10.00 N ATOM 1028 CA GLU A 69 4.481 9.385 -8.514 1.00 10.00 C ATOM 1029 C GLU A 69 5.362 8.208 -8.078 1.00 10.00 C ATOM 1030 O GLU A 69 5.611 7.273 -8.834 1.00 10.00 O ATOM 1031 CB GLU A 69 5.312 10.565 -9.027 1.00 10.00 C ATOM 1032 CG GLU A 69 4.561 11.370 -10.102 1.00 10.00 C ATOM 1033 CD GLU A 69 4.982 10.959 -11.510 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.965 9.737 -11.773 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.305 11.875 -12.295 1.00 10.00 O ATOM 0 H GLU A 69 4.101 10.594 -6.865 1.00 10.00 H new ATOM 0 HA GLU A 69 3.850 9.022 -9.326 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.566 11.220 -8.194 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.251 10.196 -9.439 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.488 11.221 -9.985 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.753 12.434 -9.961 1.00 10.00 H new ATOM 1042 N LEU A 70 5.831 8.223 -6.834 1.00 10.00 N ATOM 1043 CA LEU A 70 6.619 7.138 -6.284 1.00 10.00 C ATOM 1044 C LEU A 70 5.758 5.883 -6.247 1.00 10.00 C ATOM 1045 O LEU A 70 6.126 4.865 -6.824 1.00 10.00 O ATOM 1046 CB LEU A 70 7.174 7.552 -4.918 1.00 10.00 C ATOM 1047 CG LEU A 70 7.973 6.518 -4.112 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.483 5.357 -4.943 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.134 7.161 -3.357 1.00 10.00 C ATOM 0 H LEU A 70 5.672 8.991 -6.182 1.00 10.00 H new ATOM 0 HA LEU A 70 7.485 6.912 -6.906 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.813 8.422 -5.069 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.335 7.876 -4.303 1.00 10.00 H new ATOM 0 HG LEU A 70 7.259 6.111 -3.396 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.037 4.669 -4.305 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.640 4.834 -5.394 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.139 5.732 -5.728 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.674 6.396 -2.799 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.810 7.638 -4.067 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.748 7.909 -2.665 1.00 10.00 H new ATOM 1061 N SER A 71 4.596 5.959 -5.600 1.00 10.00 N ATOM 1062 CA SER A 71 3.622 4.877 -5.562 1.00 10.00 C ATOM 1063 C SER A 71 3.531 4.189 -6.922 1.00 10.00 C ATOM 1064 O SER A 71 3.719 2.983 -6.997 1.00 10.00 O ATOM 1065 CB SER A 71 2.275 5.389 -5.049 1.00 10.00 C ATOM 1066 OG SER A 71 1.641 6.234 -5.982 1.00 10.00 O ATOM 0 H SER A 71 4.304 6.787 -5.081 1.00 10.00 H new ATOM 0 HA SER A 71 3.952 4.115 -4.856 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.626 4.542 -4.827 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.425 5.929 -4.114 1.00 10.00 H new ATOM 0 HG SER A 71 0.784 6.539 -5.618 1.00 10.00 H new ATOM 1072 N LYS A 72 3.307 4.938 -8.003 1.00 10.00 N ATOM 1073 CA LYS A 72 3.313 4.399 -9.359 1.00 10.00 C ATOM 1074 C LYS A 72 4.530 3.496 -9.644 1.00 10.00 C ATOM 1075 O LYS A 72 4.361 2.394 -10.154 1.00 10.00 O ATOM 1076 CB LYS A 72 3.244 5.553 -10.360 1.00 10.00 C ATOM 1077 CG LYS A 72 1.824 6.097 -10.546 1.00 10.00 C ATOM 1078 CD LYS A 72 1.228 5.527 -11.839 1.00 10.00 C ATOM 1079 CE LYS A 72 0.055 6.378 -12.333 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.289 6.051 -13.732 1.00 10.00 N ATOM 0 H LYS A 72 3.116 5.939 -7.960 1.00 10.00 H new ATOM 0 HA LYS A 72 2.436 3.761 -9.466 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.895 6.359 -10.023 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.627 5.215 -11.323 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.203 5.822 -9.694 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.842 7.186 -10.590 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.998 5.484 -12.609 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.891 4.505 -11.667 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.812 6.213 -11.694 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.311 7.435 -12.256 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.087 6.642 -14.041 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.533 6.232 -14.343 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.556 5.048 -13.799 1.00 10.00 H new ATOM 1094 N THR A 73 5.745 3.918 -9.291 1.00 10.00 N ATOM 1095 CA THR A 73 6.946 3.085 -9.397 1.00 10.00 C ATOM 1096 C THR A 73 6.840 1.783 -8.583 1.00 10.00 C ATOM 1097 O THR A 73 7.436 0.776 -8.958 1.00 10.00 O ATOM 1098 CB THR A 73 8.199 3.933 -9.077 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.658 4.534 -10.271 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.359 3.165 -8.436 1.00 10.00 C ATOM 0 H THR A 73 5.926 4.851 -8.922 1.00 10.00 H new ATOM 0 HA THR A 73 7.046 2.740 -10.426 1.00 10.00 H new ATOM 0 HB THR A 73 7.880 4.665 -8.335 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.452 5.076 -10.080 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.189 3.847 -8.251 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.030 2.730 -7.493 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.685 2.371 -9.108 1.00 10.00 H new ATOM 1108 N PHE A 74 6.066 1.784 -7.497 1.00 10.00 N ATOM 1109 CA PHE A 74 5.769 0.597 -6.692 1.00 10.00 C ATOM 1110 C PHE A 74 4.483 -0.108 -7.131 1.00 10.00 C ATOM 1111 O PHE A 74 4.128 -1.129 -6.541 1.00 10.00 O ATOM 1112 CB PHE A 74 5.647 0.966 -5.204 1.00 10.00 C ATOM 1113 CG PHE A 74 6.959 1.195 -4.490 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.915 0.162 -4.451 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.171 2.371 -3.750 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.125 0.347 -3.765 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.376 2.549 -3.050 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.358 1.546 -3.073 1.00 10.00 C ATOM 0 H PHE A 74 5.618 2.629 -7.144 1.00 10.00 H new ATOM 0 HA PHE A 74 6.602 -0.089 -6.845 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.042 1.869 -5.118 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.106 0.170 -4.692 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.717 -0.775 -4.950 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.409 3.136 -3.720 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.875 -0.430 -3.769 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.547 3.459 -2.493 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.295 1.697 -2.557 1.00 10.00 H new ATOM 1128 N ILE A 75 3.748 0.426 -8.110 1.00 10.00 N ATOM 1129 CA ILE A 75 2.518 -0.208 -8.552 1.00 10.00 C ATOM 1130 C ILE A 75 2.847 -1.618 -9.041 1.00 10.00 C ATOM 1131 O ILE A 75 3.802 -1.798 -9.795 1.00 10.00 O ATOM 1132 CB ILE A 75 1.802 0.644 -9.613 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.300 0.632 -9.322 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.118 0.241 -11.061 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.490 1.341 -10.409 1.00 10.00 C ATOM 0 H ILE A 75 3.985 1.287 -8.603 1.00 10.00 H new ATOM 0 HA ILE A 75 1.816 -0.288 -7.722 1.00 10.00 H new ATOM 0 HB ILE A 75 2.185 1.662 -9.536 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.045 -0.398 -9.235 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.112 1.114 -8.363 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.574 0.890 -11.746 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.189 0.340 -11.241 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.816 -0.794 -11.225 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.552 1.311 -10.165 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.163 2.378 -10.478 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.322 0.843 -11.364 1.00 10.00 H new ATOM 1147 N ILE A 76 2.069 -2.614 -8.621 1.00 10.00 N ATOM 1148 CA ILE A 76 2.227 -3.976 -9.126 1.00 10.00 C ATOM 1149 C ILE A 76 1.116 -4.344 -10.108 1.00 10.00 C ATOM 1150 O ILE A 76 1.197 -5.370 -10.777 1.00 10.00 O ATOM 1151 CB ILE A 76 2.348 -4.971 -7.965 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.341 -4.655 -6.850 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.795 -4.947 -7.449 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.219 -5.792 -5.839 1.00 10.00 C ATOM 0 H ILE A 76 1.324 -2.503 -7.933 1.00 10.00 H new ATOM 0 HA ILE A 76 3.157 -4.028 -9.691 1.00 10.00 H new ATOM 0 HB ILE A 76 2.109 -5.975 -8.317 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.647 -3.745 -6.334 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.364 -4.458 -7.291 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.898 -5.650 -6.622 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.473 -5.231 -8.254 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.042 -3.943 -7.104 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.495 -5.520 -5.071 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.886 -6.697 -6.347 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.189 -5.973 -5.376 1.00 10.00 H new ATOM 1166 N GLY A 77 0.089 -3.503 -10.224 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.009 -3.713 -11.142 1.00 10.00 C ATOM 1168 C GLY A 77 -2.188 -2.899 -10.652 1.00 10.00 C ATOM 1169 O GLY A 77 -2.010 -1.796 -10.137 1.00 10.00 O ATOM 0 H GLY A 77 0.003 -2.649 -9.673 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.727 -3.408 -12.150 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.269 -4.770 -11.190 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.383 -3.470 -10.780 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.618 -2.842 -10.374 1.00 10.00 C ATOM 1175 C GLU A 78 -5.498 -3.859 -9.649 1.00 10.00 C ATOM 1176 O GLU A 78 -5.212 -5.058 -9.609 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.316 -2.203 -11.590 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.221 -0.670 -11.614 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.374 0.005 -12.350 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.939 -0.646 -13.258 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.655 1.172 -11.985 1.00 10.00 O ATOM 0 H GLU A 78 -3.513 -4.400 -11.178 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.413 -2.034 -9.672 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.874 -2.601 -12.503 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.366 -2.494 -11.591 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.190 -0.301 -10.589 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.282 -0.380 -12.085 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.565 -3.342 -9.055 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.570 -4.111 -8.352 1.00 10.00 C ATOM 1190 C LEU A 79 -8.440 -4.831 -9.380 1.00 10.00 C ATOM 1191 O LEU A 79 -8.844 -4.238 -10.380 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.406 -3.136 -7.520 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.578 -3.802 -6.788 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.117 -4.399 -5.459 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.690 -2.769 -6.588 1.00 10.00 C ATOM 0 H LEU A 79 -6.757 -2.340 -9.052 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.120 -4.855 -7.695 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.761 -2.650 -6.788 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.794 -2.354 -8.173 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.967 -4.625 -7.387 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -9.964 -4.866 -4.957 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.347 -5.148 -5.644 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.711 -3.609 -4.827 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.528 -3.233 -6.068 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.311 -1.937 -5.995 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.024 -2.401 -7.558 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.751 -6.104 -9.140 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.610 -6.889 -10.016 1.00 10.00 C ATOM 1209 C HIS A 80 -10.965 -6.205 -10.238 1.00 10.00 C ATOM 1210 O HIS A 80 -11.511 -5.590 -9.324 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.779 -8.290 -9.425 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.988 -9.378 -10.443 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.175 -10.000 -10.733 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.018 -9.974 -11.204 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.936 -10.920 -11.677 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.634 -10.936 -12.006 1.00 10.00 N ATOM 0 H HIS A 80 -8.411 -6.619 -8.328 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.140 -6.969 -10.996 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.896 -8.529 -8.833 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.628 -8.282 -8.742 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.964 -9.741 -11.187 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.687 -11.561 -12.114 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.185 -11.532 -12.702 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.532 -6.297 -11.449 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.842 -5.740 -11.731 1.00 10.00 C ATOM 1226 C PRO A 81 -13.966 -6.501 -11.019 1.00 10.00 C ATOM 1227 O PRO A 81 -15.085 -6.005 -10.985 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.978 -5.743 -13.255 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.994 -6.812 -13.732 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.952 -6.918 -12.626 1.00 10.00 C ATOM 0 HA PRO A 81 -12.935 -4.726 -11.343 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.997 -5.979 -13.561 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.737 -4.767 -13.676 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.496 -7.766 -13.892 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.535 -6.530 -14.680 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.700 -7.960 -12.430 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -10.029 -6.415 -12.914 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.676 -7.677 -10.446 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.640 -8.450 -9.665 1.00 10.00 C ATOM 1240 C ASP A 82 -14.879 -7.823 -8.285 1.00 10.00 C ATOM 1241 O ASP A 82 -15.968 -7.927 -7.731 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.133 -9.887 -9.516 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.175 -10.795 -8.883 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.205 -11.020 -9.551 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.880 -11.297 -7.778 1.00 10.00 O ATOM 0 H ASP A 82 -12.759 -8.118 -10.514 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.594 -8.449 -10.193 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.858 -10.278 -10.496 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.230 -9.891 -8.906 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.842 -7.186 -7.725 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.942 -6.471 -6.458 1.00 10.00 C ATOM 1252 C ASP A 83 -14.876 -5.264 -6.607 1.00 10.00 C ATOM 1253 O ASP A 83 -15.732 -5.020 -5.757 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.533 -6.048 -6.031 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.519 -5.220 -4.754 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.133 -4.135 -4.737 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.813 -5.659 -3.828 1.00 10.00 O ATOM 0 H ASP A 83 -12.912 -7.155 -8.143 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.367 -7.114 -5.687 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.921 -6.938 -5.886 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.074 -5.473 -6.835 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.665 -4.522 -7.699 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.396 -3.308 -8.035 1.00 10.00 C ATOM 1264 C ARG A 84 -16.915 -3.513 -8.090 1.00 10.00 C ATOM 1265 O ARG A 84 -17.616 -2.488 -7.939 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.909 -2.773 -9.390 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.947 -1.607 -9.175 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.200 -1.236 -10.459 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.143 -2.215 -10.768 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.509 -2.304 -11.950 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.864 -1.502 -12.958 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.529 -3.191 -12.133 1.00 10.00 N ATOM 0 H ARG A 84 -13.956 -4.763 -8.392 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.197 -2.591 -7.239 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.412 -3.567 -9.947 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.760 -2.448 -9.989 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.502 -0.741 -8.815 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.227 -1.869 -8.400 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.904 -1.184 -11.289 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.760 -0.245 -10.352 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.874 -2.870 -10.034 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.615 -0.824 -12.830 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.384 -1.568 -13.856 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.254 -3.811 -11.371 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.055 -3.249 -13.035 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.955 7.266 2.911 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.164 10.156 4.371 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.052 7.733 0.179 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.635 4.390 1.427 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.976 6.688 5.733 1.00 10.00 C HETATM 1292 NA HEM A 201 4.377 8.673 2.382 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.655 9.792 3.109 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.567 10.598 2.329 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.883 9.884 1.191 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.089 8.675 1.211 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.857 10.291 0.107 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.014 11.998 2.695 1.00 10.00 C HETATM 1299 CBA HEM A 201 6.887 12.079 3.952 1.00 10.00 C HETATM 1300 CGA HEM A 201 6.545 13.301 4.789 1.00 10.00 C HETATM 1301 O1A HEM A 201 7.376 14.233 4.806 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.444 13.281 5.381 1.00 10.00 O HETATM 1303 NB HEM A 201 3.267 6.266 1.137 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.176 6.645 0.168 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.080 5.697 -0.917 1.00 10.00 C HETATM 1306 C3B HEM A 201 3.119 4.790 -0.551 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.616 5.119 0.755 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.912 5.668 -2.172 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.611 3.664 -1.420 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.645 3.847 -2.330 1.00 10.00 C HETATM 1311 NC HEM A 201 1.535 5.820 3.464 1.00 10.00 N HETATM 1312 C1C HEM A 201 1.148 4.749 2.686 1.00 10.00 C HETATM 1313 C2C HEM A 201 0.088 4.060 3.394 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.034 4.690 4.603 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.861 5.813 4.654 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.774 2.916 2.921 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.098 4.377 5.629 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.053 5.298 5.885 1.00 10.00 C HETATM 1319 ND HEM A 201 2.629 8.248 4.731 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.813 7.800 5.730 1.00 10.00 C HETATM 1321 C2D HEM A 201 2.016 8.656 6.869 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.912 9.631 6.496 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.275 9.381 5.118 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.454 8.439 8.254 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.512 10.656 7.432 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.557 11.776 7.827 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.743 12.169 9.288 1.00 10.00 C HETATM 1328 O1D HEM A 201 3.443 13.175 9.528 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.192 11.440 10.140 1.00 10.00 O HETATM 0 HMA1 HEM A 201 6.901 11.378 0.047 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.526 9.888 -0.850 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.847 9.901 0.342 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.215 6.682 -2.431 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.326 5.245 -2.988 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.798 5.055 -2.007 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.066 2.304 3.774 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.213 2.307 2.212 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.666 3.310 2.434 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.504 7.909 8.182 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.296 9.403 8.738 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 2.156 7.849 8.843 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.304 3.010 -2.939 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.200 4.833 -2.461 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.828 5.089 6.622 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -2.048 6.250 5.354 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 7.938 12.116 3.665 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 6.751 11.178 4.550 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 5.132 12.621 2.840 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.567 12.420 1.856 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.528 11.456 7.662 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.727 12.644 7.190 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.391 11.093 6.959 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.855 10.150 8.335 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.494 11.094 4.791 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.734 7.852 -0.650 1.00 10.00 H new HETATM 0 HHC HEM A 201 1.233 3.507 0.952 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.386 6.493 6.616 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.044 2.671 -1.303 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.095 3.422 6.155 1.00 10.00 H new