USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 535 HIS : no HD1:sc= -3.52! C(o=-2.9!,f=-2.9!) USER MOD Set 1.2: A 549 SER OG : rot -41:sc= 0.574 USER MOD Single : A 501 LYS NZ :NH3+ -103:sc= -2.89! (180deg=-5.55!) USER MOD Single : A 503 TYR OH : rot 180:sc= -0.393 USER MOD Single : A 511 HIS : no HD1:sc= -4.91 K(o=-4.9,f=-7.4!) USER MOD Single : A 515 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 516 THR OG1 : rot -13:sc= 0.263 USER MOD Single : A 521 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.41) USER MOD Single : A 524 GLN :FLIP amide:sc= -0.595 F(o=-2.3!,f=-0.6) USER MOD Single : A 525 GLN : amide:sc= -0.0692 X(o=-0.069,f=-0.16) USER MOD Single : A 528 ASN : amide:sc= -0.132 K(o=-0.13,f=-1) USER MOD Single : A 533 THR OG1 : rot 78:sc= 0.573 USER MOD Single : A 537 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.076) USER MOD Single : A 539 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.3!) USER MOD Single : A 541 THR OG1 : rot 56:sc= 0.517 USER MOD Single : A 542 THR OG1 : rot 180:sc= -1.13! USER MOD Single : A 548 CYS SG : rot -38:sc= 0.0215 USER MOD Single : A 552 LYS NZ :NH3+ -160:sc= -0.0142 (180deg=-0.271) USER MOD Single : A 553 THR OG1 : rot 180:sc= 0 USER MOD Single : A 554 THR OG1 : rot 153:sc= -0.254 USER MOD Single : A 557 LYS NZ :NH3+ -142:sc= -1.9 (180deg=-2.84) USER MOD Single : A 559 GLN : amide:sc= -5.17! C(o=-5.2!,f=-5.5!) USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 TYR OH : rot 180:sc= 0 USER MOD Single : B 878 LYS NZ :NH3+ -115:sc= 0.75 (180deg=0) USER MOD Single : B 882 SER OG : rot 180:sc= 0 USER MOD Single : B 887 SER OG : rot -62:sc= -0.099 USER MOD ----------------------------------------------------------------- ATOM 15 N LYS A 501 6.050 -20.179 -4.026 1.00 0.00 N ATOM 16 CA LYS A 501 6.406 -19.772 -2.670 1.00 0.00 C ATOM 17 C LYS A 501 7.191 -18.465 -2.690 1.00 0.00 C ATOM 18 O LYS A 501 7.464 -17.878 -1.642 1.00 0.00 O ATOM 19 CB LYS A 501 7.243 -20.863 -1.998 1.00 0.00 C ATOM 20 CG LYS A 501 6.538 -22.214 -2.142 1.00 0.00 C ATOM 21 CD LYS A 501 7.145 -23.220 -1.159 1.00 0.00 C ATOM 22 CE LYS A 501 8.642 -23.385 -1.441 1.00 0.00 C ATOM 23 NZ LYS A 501 9.389 -22.242 -0.843 1.00 0.00 N ATOM 0 HA LYS A 501 5.486 -19.621 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 501 8.233 -20.908 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 501 7.387 -20.627 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 501 5.471 -22.101 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 501 6.640 -22.582 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 501 6.994 -22.878 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 501 6.640 -24.182 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 501 9.000 -24.326 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 501 8.818 -23.426 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 9.653 -21.570 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 8.787 -21.762 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 10.248 -22.595 -0.376 1.00 0.00 H new ATOM 37 N ALA A 502 7.554 -18.015 -3.886 1.00 0.00 N ATOM 38 CA ALA A 502 8.311 -16.777 -4.030 1.00 0.00 C ATOM 39 C ALA A 502 7.410 -15.562 -3.826 1.00 0.00 C ATOM 40 O ALA A 502 7.810 -14.579 -3.206 1.00 0.00 O ATOM 41 CB ALA A 502 8.946 -16.714 -5.421 1.00 0.00 C ATOM 0 H ALA A 502 7.338 -18.486 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 502 9.092 -16.764 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 502 9.510 -15.787 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 502 9.617 -17.563 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 502 8.164 -16.747 -6.180 1.00 0.00 H new ATOM 47 N TYR A 503 6.195 -15.634 -4.361 1.00 0.00 N ATOM 48 CA TYR A 503 5.253 -14.525 -4.237 1.00 0.00 C ATOM 49 C TYR A 503 5.238 -13.993 -2.806 1.00 0.00 C ATOM 50 O TYR A 503 5.563 -12.831 -2.565 1.00 0.00 O ATOM 51 CB TYR A 503 3.846 -14.984 -4.628 1.00 0.00 C ATOM 52 CG TYR A 503 2.964 -13.777 -4.846 1.00 0.00 C ATOM 53 CD1 TYR A 503 3.225 -12.910 -5.913 1.00 0.00 C ATOM 54 CD2 TYR A 503 1.891 -13.520 -3.981 1.00 0.00 C ATOM 55 CE1 TYR A 503 2.414 -11.789 -6.118 1.00 0.00 C ATOM 56 CE2 TYR A 503 1.081 -12.398 -4.187 1.00 0.00 C ATOM 57 CZ TYR A 503 1.342 -11.532 -5.255 1.00 0.00 C ATOM 58 OH TYR A 503 0.542 -10.426 -5.457 1.00 0.00 O ATOM 0 H TYR A 503 5.842 -16.438 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 503 5.572 -13.727 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 503 3.888 -15.586 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 503 3.428 -15.617 -3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 503 4.053 -13.106 -6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 503 1.690 -14.188 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 503 2.615 -11.121 -6.943 1.00 0.00 H new ATOM 0 HE2 TYR A 503 0.254 -12.200 -3.521 1.00 0.00 H new ATOM 0 HH TYR A 503 -0.156 -10.397 -4.769 1.00 0.00 H new ATOM 68 N LEU A 504 4.861 -14.846 -1.860 1.00 0.00 N ATOM 69 CA LEU A 504 4.811 -14.443 -0.458 1.00 0.00 C ATOM 70 C LEU A 504 6.059 -13.641 -0.087 1.00 0.00 C ATOM 71 O LEU A 504 5.968 -12.548 0.470 1.00 0.00 O ATOM 72 CB LEU A 504 4.706 -15.684 0.439 1.00 0.00 C ATOM 73 CG LEU A 504 3.268 -16.217 0.427 1.00 0.00 C ATOM 74 CD1 LEU A 504 2.881 -16.638 -0.994 1.00 0.00 C ATOM 75 CD2 LEU A 504 3.171 -17.425 1.362 1.00 0.00 C ATOM 0 H LEU A 504 4.588 -15.813 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 504 3.933 -13.814 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 504 5.392 -16.455 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 504 5.002 -15.433 1.458 1.00 0.00 H new ATOM 0 HG LEU A 504 2.589 -15.434 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 504 1.859 -17.016 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 504 2.951 -15.778 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 504 3.557 -17.420 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 504 2.150 -17.808 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 504 3.853 -18.204 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 504 3.441 -17.124 2.374 1.00 0.00 H new ATOM 87 N ASP A 505 7.221 -14.202 -0.404 1.00 0.00 N ATOM 88 CA ASP A 505 8.488 -13.545 -0.104 1.00 0.00 C ATOM 89 C ASP A 505 8.461 -12.087 -0.559 1.00 0.00 C ATOM 90 O ASP A 505 8.903 -11.195 0.165 1.00 0.00 O ATOM 91 CB ASP A 505 9.638 -14.279 -0.800 1.00 0.00 C ATOM 92 CG ASP A 505 9.457 -15.786 -0.655 1.00 0.00 C ATOM 93 OD1 ASP A 505 8.538 -16.189 0.040 1.00 0.00 O ATOM 94 OD2 ASP A 505 10.240 -16.515 -1.240 1.00 0.00 O ATOM 0 H ASP A 505 7.312 -15.106 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 505 8.641 -13.573 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 505 9.668 -14.008 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 505 10.590 -13.975 -0.366 1.00 0.00 H new ATOM 99 N GLU A 506 7.942 -11.853 -1.760 1.00 0.00 N ATOM 100 CA GLU A 506 7.868 -10.497 -2.297 1.00 0.00 C ATOM 101 C GLU A 506 7.027 -9.606 -1.390 1.00 0.00 C ATOM 102 O GLU A 506 7.209 -8.389 -1.357 1.00 0.00 O ATOM 103 CB GLU A 506 7.260 -10.518 -3.700 1.00 0.00 C ATOM 104 CG GLU A 506 8.063 -11.467 -4.590 1.00 0.00 C ATOM 105 CD GLU A 506 9.461 -10.905 -4.823 1.00 0.00 C ATOM 106 OE1 GLU A 506 9.556 -9.771 -5.263 1.00 0.00 O ATOM 107 OE2 GLU A 506 10.416 -11.616 -4.558 1.00 0.00 O ATOM 0 H GLU A 506 7.570 -12.576 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 506 8.880 -10.094 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 506 6.220 -10.840 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 506 7.264 -9.514 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 506 8.130 -12.449 -4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 506 7.553 -11.603 -5.544 1.00 0.00 H new ATOM 114 N LEU A 507 6.106 -10.221 -0.651 1.00 0.00 N ATOM 115 CA LEU A 507 5.243 -9.477 0.256 1.00 0.00 C ATOM 116 C LEU A 507 5.947 -9.241 1.589 1.00 0.00 C ATOM 117 O LEU A 507 5.911 -8.139 2.132 1.00 0.00 O ATOM 118 CB LEU A 507 3.949 -10.258 0.497 1.00 0.00 C ATOM 119 CG LEU A 507 3.428 -10.823 -0.828 1.00 0.00 C ATOM 120 CD1 LEU A 507 2.042 -11.435 -0.609 1.00 0.00 C ATOM 121 CD2 LEU A 507 3.330 -9.702 -1.869 1.00 0.00 C ATOM 0 H LEU A 507 5.941 -11.227 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 507 5.011 -8.514 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 507 4.129 -11.069 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 507 3.199 -9.607 0.945 1.00 0.00 H new ATOM 0 HG LEU A 507 4.116 -11.588 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 507 1.669 -11.838 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 507 2.110 -12.236 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 507 1.358 -10.667 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 507 2.959 -10.110 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 507 2.645 -8.933 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 507 4.316 -9.265 -2.027 1.00 0.00 H new ATOM 133 N VAL A 508 6.583 -10.284 2.113 1.00 0.00 N ATOM 134 CA VAL A 508 7.286 -10.171 3.385 1.00 0.00 C ATOM 135 C VAL A 508 8.279 -9.012 3.352 1.00 0.00 C ATOM 136 O VAL A 508 8.229 -8.113 4.192 1.00 0.00 O ATOM 137 CB VAL A 508 8.024 -11.472 3.696 1.00 0.00 C ATOM 138 CG1 VAL A 508 8.755 -11.332 5.033 1.00 0.00 C ATOM 139 CG2 VAL A 508 7.014 -12.619 3.788 1.00 0.00 C ATOM 0 H VAL A 508 6.626 -11.207 1.682 1.00 0.00 H new ATOM 0 HA VAL A 508 6.550 -9.979 4.166 1.00 0.00 H new ATOM 0 HB VAL A 508 8.744 -11.682 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 508 9.283 -12.259 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 508 9.471 -10.512 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 508 8.033 -11.125 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 508 7.538 -13.549 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.296 -12.409 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.487 -12.717 2.839 1.00 0.00 H new ATOM 149 N GLU A 509 9.182 -9.042 2.373 1.00 0.00 N ATOM 150 CA GLU A 509 10.183 -7.988 2.237 1.00 0.00 C ATOM 151 C GLU A 509 9.503 -6.627 2.146 1.00 0.00 C ATOM 152 O GLU A 509 9.837 -5.710 2.896 1.00 0.00 O ATOM 153 CB GLU A 509 11.030 -8.227 0.986 1.00 0.00 C ATOM 154 CG GLU A 509 12.073 -7.115 0.856 1.00 0.00 C ATOM 155 CD GLU A 509 13.092 -7.480 -0.218 1.00 0.00 C ATOM 156 OE1 GLU A 509 12.781 -8.325 -1.040 1.00 0.00 O ATOM 157 OE2 GLU A 509 14.170 -6.908 -0.203 1.00 0.00 O ATOM 0 H GLU A 509 9.240 -9.778 1.669 1.00 0.00 H new ATOM 0 HA GLU A 509 10.830 -8.005 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 509 11.523 -9.197 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 509 10.393 -8.248 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 509 11.584 -6.175 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 509 12.577 -6.964 1.811 1.00 0.00 H new ATOM 164 N LEU A 510 8.544 -6.499 1.236 1.00 0.00 N ATOM 165 CA LEU A 510 7.830 -5.238 1.083 1.00 0.00 C ATOM 166 C LEU A 510 7.243 -4.832 2.432 1.00 0.00 C ATOM 167 O LEU A 510 7.472 -3.724 2.917 1.00 0.00 O ATOM 168 CB LEU A 510 6.703 -5.395 0.027 1.00 0.00 C ATOM 169 CG LEU A 510 7.063 -4.655 -1.272 1.00 0.00 C ATOM 170 CD1 LEU A 510 8.225 -5.369 -1.964 1.00 0.00 C ATOM 171 CD2 LEU A 510 5.847 -4.637 -2.206 1.00 0.00 C ATOM 0 H LEU A 510 8.247 -7.241 0.602 1.00 0.00 H new ATOM 0 HA LEU A 510 8.516 -4.463 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 510 6.542 -6.452 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 510 5.767 -5.003 0.426 1.00 0.00 H new ATOM 0 HG LEU A 510 7.355 -3.632 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 510 8.479 -4.843 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 510 9.091 -5.381 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 510 7.935 -6.393 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 510 6.103 -4.112 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 510 5.554 -5.660 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 510 5.019 -4.126 -1.715 1.00 0.00 H new ATOM 183 N HIS A 511 6.489 -5.745 3.026 1.00 0.00 N ATOM 184 CA HIS A 511 5.867 -5.498 4.315 1.00 0.00 C ATOM 185 C HIS A 511 6.897 -4.999 5.324 1.00 0.00 C ATOM 186 O HIS A 511 6.749 -3.925 5.907 1.00 0.00 O ATOM 187 CB HIS A 511 5.227 -6.789 4.825 1.00 0.00 C ATOM 188 CG HIS A 511 4.697 -6.575 6.211 1.00 0.00 C ATOM 189 ND1 HIS A 511 3.568 -5.816 6.453 1.00 0.00 N ATOM 190 CD2 HIS A 511 5.139 -7.000 7.439 1.00 0.00 C ATOM 191 CE1 HIS A 511 3.369 -5.801 7.784 1.00 0.00 C ATOM 192 NE2 HIS A 511 4.298 -6.508 8.432 1.00 0.00 N ATOM 0 H HIS A 511 6.294 -6.666 2.633 1.00 0.00 H new ATOM 0 HA HIS A 511 5.103 -4.730 4.195 1.00 0.00 H new ATOM 0 HB2 HIS A 511 4.420 -7.094 4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 511 5.961 -7.595 4.826 1.00 0.00 H new ATOM 0 HD2 HIS A 511 6.006 -7.621 7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 511 2.557 -5.280 8.269 1.00 0.00 H new ATOM 0 HE2 HIS A 511 4.375 -6.656 9.438 1.00 0.00 H new ATOM 201 N ARG A 512 7.943 -5.795 5.516 1.00 0.00 N ATOM 202 CA ARG A 512 9.006 -5.445 6.445 1.00 0.00 C ATOM 203 C ARG A 512 9.522 -4.038 6.163 1.00 0.00 C ATOM 204 O ARG A 512 9.549 -3.185 7.050 1.00 0.00 O ATOM 205 CB ARG A 512 10.154 -6.450 6.301 1.00 0.00 C ATOM 206 CG ARG A 512 11.154 -6.304 7.466 1.00 0.00 C ATOM 207 CD ARG A 512 10.718 -7.151 8.673 1.00 0.00 C ATOM 208 NE ARG A 512 9.589 -6.529 9.356 1.00 0.00 N ATOM 209 CZ ARG A 512 8.792 -7.233 10.152 1.00 0.00 C ATOM 210 NH1 ARG A 512 9.010 -8.507 10.332 1.00 0.00 N ATOM 211 NH2 ARG A 512 7.791 -6.652 10.754 1.00 0.00 N ATOM 0 H ARG A 512 8.076 -6.687 5.039 1.00 0.00 H new ATOM 0 HA ARG A 512 8.611 -5.474 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 512 9.756 -7.464 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 512 10.667 -6.291 5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 512 12.147 -6.613 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 512 11.227 -5.257 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 512 10.442 -8.152 8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 512 11.552 -7.263 9.366 1.00 0.00 H new ATOM 0 HE ARG A 512 9.408 -5.534 9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 512 9.792 -8.962 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 512 8.398 -9.048 10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 512 7.620 -5.656 10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 512 7.180 -7.193 11.365 1.00 0.00 H new ATOM 225 N ARG A 513 9.937 -3.809 4.923 1.00 0.00 N ATOM 226 CA ARG A 513 10.459 -2.508 4.526 1.00 0.00 C ATOM 227 C ARG A 513 9.422 -1.412 4.748 1.00 0.00 C ATOM 228 O ARG A 513 9.754 -0.314 5.194 1.00 0.00 O ATOM 229 CB ARG A 513 10.864 -2.538 3.051 1.00 0.00 C ATOM 230 CG ARG A 513 11.692 -1.296 2.722 1.00 0.00 C ATOM 231 CD ARG A 513 11.838 -1.168 1.205 1.00 0.00 C ATOM 232 NE ARG A 513 12.526 -2.336 0.665 1.00 0.00 N ATOM 233 CZ ARG A 513 12.486 -2.616 -0.634 1.00 0.00 C ATOM 234 NH1 ARG A 513 11.827 -1.839 -1.450 1.00 0.00 N ATOM 235 NH2 ARG A 513 13.108 -3.667 -1.095 1.00 0.00 N ATOM 0 H ARG A 513 9.922 -4.505 4.177 1.00 0.00 H new ATOM 0 HA ARG A 513 11.331 -2.289 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 513 11.441 -3.438 2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 513 9.976 -2.573 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 513 11.210 -0.407 3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 513 12.675 -1.367 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 513 10.855 -1.071 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 513 12.395 -0.263 0.961 1.00 0.00 H new ATOM 0 HE ARG A 513 13.046 -2.948 1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 513 11.342 -1.016 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 513 11.797 -2.054 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 513 13.625 -4.274 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 513 13.077 -3.882 -2.092 1.00 0.00 H new ATOM 249 N LEU A 514 8.168 -1.714 4.429 1.00 0.00 N ATOM 250 CA LEU A 514 7.094 -0.740 4.593 1.00 0.00 C ATOM 251 C LEU A 514 6.934 -0.354 6.061 1.00 0.00 C ATOM 252 O LEU A 514 6.791 0.823 6.394 1.00 0.00 O ATOM 253 CB LEU A 514 5.770 -1.324 4.059 1.00 0.00 C ATOM 254 CG LEU A 514 5.694 -1.165 2.525 1.00 0.00 C ATOM 255 CD1 LEU A 514 4.778 -2.243 1.938 1.00 0.00 C ATOM 256 CD2 LEU A 514 5.127 0.217 2.164 1.00 0.00 C ATOM 0 H LEU A 514 7.871 -2.617 4.059 1.00 0.00 H new ATOM 0 HA LEU A 514 7.350 0.155 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 514 5.696 -2.378 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 514 4.926 -0.816 4.526 1.00 0.00 H new ATOM 0 HG LEU A 514 6.699 -1.266 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 514 4.727 -2.127 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 514 5.175 -3.229 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 514 3.779 -2.141 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 514 5.078 0.318 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 514 4.126 0.321 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 514 5.774 0.994 2.572 1.00 0.00 H new ATOM 268 N MET A 515 6.936 -1.356 6.931 1.00 0.00 N ATOM 269 CA MET A 515 6.767 -1.121 8.360 1.00 0.00 C ATOM 270 C MET A 515 7.736 -0.065 8.875 1.00 0.00 C ATOM 271 O MET A 515 7.378 0.765 9.710 1.00 0.00 O ATOM 272 CB MET A 515 6.970 -2.425 9.131 1.00 0.00 C ATOM 273 CG MET A 515 6.505 -2.241 10.577 1.00 0.00 C ATOM 274 SD MET A 515 6.647 -3.816 11.458 1.00 0.00 S ATOM 275 CE MET A 515 5.273 -3.559 12.608 1.00 0.00 C ATOM 0 H MET A 515 7.052 -2.336 6.674 1.00 0.00 H new ATOM 0 HA MET A 515 5.753 -0.753 8.518 1.00 0.00 H new ATOM 0 HB2 MET A 515 6.409 -3.231 8.657 1.00 0.00 H new ATOM 0 HB3 MET A 515 8.021 -2.713 9.110 1.00 0.00 H new ATOM 0 HG2 MET A 515 7.109 -1.480 11.071 1.00 0.00 H new ATOM 0 HG3 MET A 515 5.473 -1.892 10.597 1.00 0.00 H new ATOM 0 HE1 MET A 515 5.177 -4.427 13.260 1.00 0.00 H new ATOM 0 HE2 MET A 515 5.464 -2.671 13.211 1.00 0.00 H new ATOM 0 HE3 MET A 515 4.349 -3.424 12.046 1.00 0.00 H new ATOM 285 N THR A 516 8.965 -0.103 8.372 1.00 0.00 N ATOM 286 CA THR A 516 9.985 0.857 8.788 1.00 0.00 C ATOM 287 C THR A 516 9.986 2.065 7.860 1.00 0.00 C ATOM 288 O THR A 516 10.445 3.144 8.235 1.00 0.00 O ATOM 289 CB THR A 516 11.363 0.191 8.762 1.00 0.00 C ATOM 290 OG1 THR A 516 11.672 -0.202 7.431 1.00 0.00 O ATOM 291 CG2 THR A 516 11.354 -1.039 9.670 1.00 0.00 C ATOM 0 H THR A 516 9.279 -0.783 7.680 1.00 0.00 H new ATOM 0 HA THR A 516 9.759 1.190 9.801 1.00 0.00 H new ATOM 0 HB THR A 516 12.115 0.896 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 516 10.863 -0.155 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 516 12.336 -1.513 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 516 11.117 -0.737 10.690 1.00 0.00 H new ATOM 0 HG23 THR A 516 10.603 -1.746 9.317 1.00 0.00 H new ATOM 299 N LEU A 517 9.484 1.880 6.644 1.00 0.00 N ATOM 300 CA LEU A 517 9.453 2.972 5.677 1.00 0.00 C ATOM 301 C LEU A 517 8.785 4.204 6.275 1.00 0.00 C ATOM 302 O LEU A 517 7.680 4.122 6.814 1.00 0.00 O ATOM 303 CB LEU A 517 8.703 2.538 4.415 1.00 0.00 C ATOM 304 CG LEU A 517 8.783 3.632 3.339 1.00 0.00 C ATOM 305 CD1 LEU A 517 10.240 3.837 2.885 1.00 0.00 C ATOM 306 CD2 LEU A 517 7.924 3.209 2.142 1.00 0.00 C ATOM 0 H LEU A 517 9.098 0.998 6.307 1.00 0.00 H new ATOM 0 HA LEU A 517 10.480 3.225 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 517 9.130 1.611 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 517 7.660 2.333 4.657 1.00 0.00 H new ATOM 0 HG LEU A 517 8.416 4.572 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 517 10.278 4.615 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 517 10.849 4.135 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 517 10.627 2.906 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 517 7.972 3.977 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 517 8.298 2.267 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 517 6.890 3.081 2.463 1.00 0.00 H new ATOM 318 N ARG A 518 9.455 5.348 6.171 1.00 0.00 N ATOM 319 CA ARG A 518 8.918 6.604 6.698 1.00 0.00 C ATOM 320 C ARG A 518 9.142 7.730 5.693 1.00 0.00 C ATOM 321 O ARG A 518 9.956 8.625 5.919 1.00 0.00 O ATOM 322 CB ARG A 518 9.599 6.949 8.030 1.00 0.00 C ATOM 323 CG ARG A 518 8.746 7.962 8.821 1.00 0.00 C ATOM 324 CD ARG A 518 7.698 7.229 9.669 1.00 0.00 C ATOM 325 NE ARG A 518 8.310 6.706 10.886 1.00 0.00 N ATOM 326 CZ ARG A 518 7.653 5.868 11.681 1.00 0.00 C ATOM 327 NH1 ARG A 518 6.438 5.497 11.376 1.00 0.00 N ATOM 328 NH2 ARG A 518 8.222 5.414 12.764 1.00 0.00 N ATOM 0 H ARG A 518 10.370 5.434 5.728 1.00 0.00 H new ATOM 0 HA ARG A 518 7.848 6.487 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 518 9.740 6.043 8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 518 10.589 7.365 7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 518 9.388 8.564 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 518 8.252 8.647 8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 518 6.886 7.910 9.925 1.00 0.00 H new ATOM 0 HD3 ARG A 518 7.260 6.413 9.094 1.00 0.00 H new ATOM 0 HE ARG A 518 9.259 6.989 11.131 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.994 5.851 10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 518 5.933 4.854 11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 518 9.171 5.702 13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 518 7.717 4.771 13.374 1.00 0.00 H new ATOM 342 N GLU A 519 8.413 7.672 4.580 1.00 0.00 N ATOM 343 CA GLU A 519 8.533 8.684 3.531 1.00 0.00 C ATOM 344 C GLU A 519 7.162 9.008 2.947 1.00 0.00 C ATOM 345 O GLU A 519 6.727 8.392 1.974 1.00 0.00 O ATOM 346 CB GLU A 519 9.454 8.168 2.422 1.00 0.00 C ATOM 347 CG GLU A 519 9.880 9.332 1.522 1.00 0.00 C ATOM 348 CD GLU A 519 10.976 10.146 2.203 1.00 0.00 C ATOM 349 OE1 GLU A 519 11.264 9.868 3.356 1.00 0.00 O ATOM 350 OE2 GLU A 519 11.512 11.034 1.561 1.00 0.00 O ATOM 0 H GLU A 519 7.734 6.937 4.381 1.00 0.00 H new ATOM 0 HA GLU A 519 8.955 9.591 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 519 10.333 7.692 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 519 8.940 7.409 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 519 10.240 8.950 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 519 9.022 9.970 1.308 1.00 0.00 H new ATOM 357 N ARG A 520 6.485 9.977 3.554 1.00 0.00 N ATOM 358 CA ARG A 520 5.160 10.380 3.099 1.00 0.00 C ATOM 359 C ARG A 520 5.118 10.526 1.579 1.00 0.00 C ATOM 360 O ARG A 520 4.051 10.439 0.970 1.00 0.00 O ATOM 361 CB ARG A 520 4.769 11.707 3.752 1.00 0.00 C ATOM 362 CG ARG A 520 4.676 11.518 5.268 1.00 0.00 C ATOM 363 CD ARG A 520 4.381 12.862 5.935 1.00 0.00 C ATOM 364 NE ARG A 520 4.007 12.661 7.330 1.00 0.00 N ATOM 365 CZ ARG A 520 4.906 12.286 8.235 1.00 0.00 C ATOM 366 NH1 ARG A 520 6.146 12.091 7.882 1.00 0.00 N ATOM 367 NH2 ARG A 520 4.547 12.111 9.478 1.00 0.00 N ATOM 0 H ARG A 520 6.831 10.497 4.360 1.00 0.00 H new ATOM 0 HA ARG A 520 4.452 9.603 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 520 5.507 12.473 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 520 3.813 12.052 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 520 3.891 10.801 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 520 5.610 11.107 5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 520 5.258 13.506 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 520 3.576 13.370 5.405 1.00 0.00 H new ATOM 0 HE ARG A 520 3.040 12.811 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 520 6.427 12.226 6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 520 6.835 11.803 8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 520 3.577 12.262 9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 520 5.237 11.823 10.172 1.00 0.00 H new ATOM 381 N HIS A 521 6.278 10.755 0.972 1.00 0.00 N ATOM 382 CA HIS A 521 6.351 10.922 -0.477 1.00 0.00 C ATOM 383 C HIS A 521 5.919 9.647 -1.197 1.00 0.00 C ATOM 384 O HIS A 521 5.235 9.703 -2.219 1.00 0.00 O ATOM 385 CB HIS A 521 7.781 11.282 -0.892 1.00 0.00 C ATOM 386 CG HIS A 521 7.779 11.851 -2.286 1.00 0.00 C ATOM 387 ND1 HIS A 521 6.765 12.673 -2.748 1.00 0.00 N ATOM 388 CD2 HIS A 521 8.664 11.723 -3.329 1.00 0.00 C ATOM 389 CE1 HIS A 521 7.060 13.007 -4.018 1.00 0.00 C ATOM 390 NE2 HIS A 521 8.206 12.455 -4.422 1.00 0.00 N ATOM 0 H HIS A 521 7.173 10.829 1.455 1.00 0.00 H new ATOM 0 HA HIS A 521 5.674 11.728 -0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 521 8.201 12.007 -0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 521 8.415 10.396 -0.852 1.00 0.00 H new ATOM 0 HD2 HIS A 521 9.575 11.144 -3.305 1.00 0.00 H new ATOM 0 HE1 HIS A 521 6.444 13.644 -4.635 1.00 0.00 H new ATOM 0 HE2 HIS A 521 8.651 12.549 -5.335 1.00 0.00 H new ATOM 399 N ILE A 522 6.328 8.498 -0.663 1.00 0.00 N ATOM 400 CA ILE A 522 5.986 7.212 -1.267 1.00 0.00 C ATOM 401 C ILE A 522 4.640 6.715 -0.755 1.00 0.00 C ATOM 402 O ILE A 522 3.738 6.412 -1.535 1.00 0.00 O ATOM 403 CB ILE A 522 7.078 6.191 -0.925 1.00 0.00 C ATOM 404 CG1 ILE A 522 8.464 6.790 -1.216 1.00 0.00 C ATOM 405 CG2 ILE A 522 6.884 4.916 -1.747 1.00 0.00 C ATOM 406 CD1 ILE A 522 8.492 7.406 -2.617 1.00 0.00 C ATOM 0 H ILE A 522 6.894 8.431 0.183 1.00 0.00 H new ATOM 0 HA ILE A 522 5.916 7.336 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 522 7.008 5.944 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 522 8.703 7.550 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 522 9.227 6.015 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 522 7.665 4.199 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 522 5.909 4.484 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 522 6.940 5.156 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 522 9.479 7.826 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 522 8.274 6.636 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 522 7.743 8.195 -2.683 1.00 0.00 H new ATOM 418 N LEU A 523 4.514 6.643 0.561 1.00 0.00 N ATOM 419 CA LEU A 523 3.274 6.183 1.182 1.00 0.00 C ATOM 420 C LEU A 523 2.071 6.838 0.507 1.00 0.00 C ATOM 421 O LEU A 523 0.954 6.343 0.609 1.00 0.00 O ATOM 422 CB LEU A 523 3.278 6.525 2.682 1.00 0.00 C ATOM 423 CG LEU A 523 4.067 5.468 3.460 1.00 0.00 C ATOM 424 CD1 LEU A 523 5.481 5.355 2.890 1.00 0.00 C ATOM 425 CD2 LEU A 523 4.145 5.875 4.934 1.00 0.00 C ATOM 0 H LEU A 523 5.250 6.895 1.221 1.00 0.00 H new ATOM 0 HA LEU A 523 3.203 5.102 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 523 3.721 7.509 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 523 2.255 6.574 3.055 1.00 0.00 H new ATOM 0 HG LEU A 523 3.564 4.505 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 523 6.039 4.602 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 523 5.428 5.065 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 523 5.986 6.317 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 523 4.706 5.124 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 523 4.646 6.839 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 523 3.138 5.952 5.344 1.00 0.00 H new ATOM 437 N GLN A 524 2.297 7.949 -0.176 1.00 0.00 N ATOM 438 CA GLN A 524 1.205 8.646 -0.848 1.00 0.00 C ATOM 439 C GLN A 524 0.896 8.003 -2.198 1.00 0.00 C ATOM 440 O GLN A 524 -0.266 7.849 -2.572 1.00 0.00 O ATOM 441 CB GLN A 524 1.569 10.117 -1.053 1.00 0.00 C ATOM 442 CG GLN A 524 0.317 10.902 -1.446 1.00 0.00 C ATOM 443 CD GLN A 524 -0.608 11.044 -0.243 1.00 0.00 C ATOM 444 OE1 GLN A 524 -1.572 10.181 -0.066 1.00 0.00 O flip ATOM 445 NE2 GLN A 524 -0.449 11.964 0.560 1.00 0.00 N flip ATOM 0 H GLN A 524 3.213 8.385 -0.281 1.00 0.00 H new ATOM 0 HA GLN A 524 0.319 8.574 -0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 524 1.997 10.528 -0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 524 2.328 10.210 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 524 0.597 11.887 -1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 524 -0.203 10.391 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 524 0.304 12.638 0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 524 -1.070 12.052 1.364 1.00 0.00 H new ATOM 454 N GLN A 525 1.946 7.638 -2.927 1.00 0.00 N ATOM 455 CA GLN A 525 1.776 7.020 -4.238 1.00 0.00 C ATOM 456 C GLN A 525 1.089 5.663 -4.121 1.00 0.00 C ATOM 457 O GLN A 525 0.100 5.400 -4.802 1.00 0.00 O ATOM 458 CB GLN A 525 3.139 6.846 -4.911 1.00 0.00 C ATOM 459 CG GLN A 525 3.840 8.203 -5.008 1.00 0.00 C ATOM 460 CD GLN A 525 3.154 9.070 -6.057 1.00 0.00 C ATOM 461 OE1 GLN A 525 2.260 9.851 -5.729 1.00 0.00 O ATOM 462 NE2 GLN A 525 3.520 8.979 -7.305 1.00 0.00 N ATOM 0 H GLN A 525 2.916 7.758 -2.636 1.00 0.00 H new ATOM 0 HA GLN A 525 1.147 7.674 -4.842 1.00 0.00 H new ATOM 0 HB2 GLN A 525 3.752 6.149 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 525 3.013 6.418 -5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 525 3.818 8.703 -4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 525 4.889 8.062 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 525 4.261 8.331 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 525 3.066 9.556 -8.013 1.00 0.00 H new ATOM 471 N ILE A 526 1.617 4.806 -3.251 1.00 0.00 N ATOM 472 CA ILE A 526 1.043 3.476 -3.055 1.00 0.00 C ATOM 473 C ILE A 526 -0.427 3.586 -2.646 1.00 0.00 C ATOM 474 O ILE A 526 -1.311 3.054 -3.316 1.00 0.00 O ATOM 475 CB ILE A 526 1.836 2.719 -1.973 1.00 0.00 C ATOM 476 CG1 ILE A 526 3.163 2.224 -2.563 1.00 0.00 C ATOM 477 CG2 ILE A 526 1.030 1.516 -1.456 1.00 0.00 C ATOM 478 CD1 ILE A 526 4.024 3.418 -2.978 1.00 0.00 C ATOM 0 H ILE A 526 2.434 5.005 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 526 1.103 2.925 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 526 2.029 3.398 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 526 3.694 1.619 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 526 2.972 1.585 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 526 1.606 0.993 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 526 0.091 1.865 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 526 0.821 0.836 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 526 4.965 3.060 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 526 3.494 4.006 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 526 4.228 4.040 -2.106 1.00 0.00 H new ATOM 490 N VAL A 527 -0.674 4.259 -1.528 1.00 0.00 N ATOM 491 CA VAL A 527 -2.033 4.411 -1.020 1.00 0.00 C ATOM 492 C VAL A 527 -3.011 4.729 -2.149 1.00 0.00 C ATOM 493 O VAL A 527 -3.963 3.984 -2.386 1.00 0.00 O ATOM 494 CB VAL A 527 -2.070 5.522 0.040 1.00 0.00 C ATOM 495 CG1 VAL A 527 -3.521 5.818 0.436 1.00 0.00 C ATOM 496 CG2 VAL A 527 -1.288 5.076 1.284 1.00 0.00 C ATOM 0 H VAL A 527 0.044 4.706 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 527 -2.338 3.468 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 527 -1.617 6.422 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 527 -3.539 6.607 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 527 -4.079 6.141 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 527 -3.978 4.917 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 527 -1.316 5.866 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 527 -1.739 4.172 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 527 -0.253 4.873 1.010 1.00 0.00 H new ATOM 506 N ASN A 528 -2.773 5.839 -2.841 1.00 0.00 N ATOM 507 CA ASN A 528 -3.640 6.245 -3.942 1.00 0.00 C ATOM 508 C ASN A 528 -3.703 5.163 -5.019 1.00 0.00 C ATOM 509 O ASN A 528 -4.670 5.088 -5.777 1.00 0.00 O ATOM 510 CB ASN A 528 -3.123 7.548 -4.555 1.00 0.00 C ATOM 511 CG ASN A 528 -3.316 8.697 -3.572 1.00 0.00 C ATOM 512 OD1 ASN A 528 -4.331 8.759 -2.879 1.00 0.00 O ATOM 513 ND2 ASN A 528 -2.396 9.617 -3.470 1.00 0.00 N ATOM 0 H ASN A 528 -1.992 6.470 -2.661 1.00 0.00 H new ATOM 0 HA ASN A 528 -4.644 6.397 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -2.067 7.447 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -3.654 7.759 -5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 528 -2.518 10.389 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 528 -1.555 9.564 -4.045 1.00 0.00 H new ATOM 520 N LEU A 529 -2.662 4.336 -5.093 1.00 0.00 N ATOM 521 CA LEU A 529 -2.607 3.274 -6.097 1.00 0.00 C ATOM 522 C LEU A 529 -3.661 2.204 -5.814 1.00 0.00 C ATOM 523 O LEU A 529 -4.530 1.941 -6.645 1.00 0.00 O ATOM 524 CB LEU A 529 -1.201 2.645 -6.110 1.00 0.00 C ATOM 525 CG LEU A 529 -0.877 2.039 -7.489 1.00 0.00 C ATOM 526 CD1 LEU A 529 -1.963 1.032 -7.882 1.00 0.00 C ATOM 527 CD2 LEU A 529 -0.772 3.146 -8.563 1.00 0.00 C ATOM 0 H LEU A 529 -1.851 4.379 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 529 -2.817 3.707 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -0.458 3.402 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -1.139 1.871 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 529 0.084 1.528 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -1.729 0.607 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -2.006 0.235 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.928 1.537 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -0.543 2.695 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -1.719 3.681 -8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 529 0.020 3.843 -8.291 1.00 0.00 H new ATOM 539 N ILE A 530 -3.572 1.579 -4.645 1.00 0.00 N ATOM 540 CA ILE A 530 -4.519 0.530 -4.294 1.00 0.00 C ATOM 541 C ILE A 530 -5.904 1.120 -4.038 1.00 0.00 C ATOM 542 O ILE A 530 -6.909 0.604 -4.524 1.00 0.00 O ATOM 543 CB ILE A 530 -4.007 -0.281 -3.088 1.00 0.00 C ATOM 544 CG1 ILE A 530 -4.058 0.558 -1.783 1.00 0.00 C ATOM 545 CG2 ILE A 530 -2.560 -0.706 -3.370 1.00 0.00 C ATOM 546 CD1 ILE A 530 -5.358 0.278 -1.011 1.00 0.00 C ATOM 0 H ILE A 530 -2.866 1.777 -3.936 1.00 0.00 H new ATOM 0 HA ILE A 530 -4.609 -0.158 -5.135 1.00 0.00 H new ATOM 0 HB ILE A 530 -4.645 -1.153 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 530 -3.198 0.320 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 530 -3.993 1.619 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 530 -2.179 -1.282 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 530 -2.530 -1.319 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 530 -1.942 0.180 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 530 -5.376 0.875 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 530 -6.214 0.540 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 530 -5.407 -0.780 -0.753 1.00 0.00 H new ATOM 558 N GLU A 531 -5.944 2.217 -3.285 1.00 0.00 N ATOM 559 CA GLU A 531 -7.210 2.884 -2.988 1.00 0.00 C ATOM 560 C GLU A 531 -8.054 2.983 -4.258 1.00 0.00 C ATOM 561 O GLU A 531 -9.248 2.687 -4.249 1.00 0.00 O ATOM 562 CB GLU A 531 -6.947 4.290 -2.435 1.00 0.00 C ATOM 563 CG GLU A 531 -6.560 4.207 -0.958 1.00 0.00 C ATOM 564 CD GLU A 531 -7.786 3.872 -0.115 1.00 0.00 C ATOM 565 OE1 GLU A 531 -8.887 4.079 -0.596 1.00 0.00 O ATOM 566 OE2 GLU A 531 -7.605 3.417 1.000 1.00 0.00 O ATOM 0 H GLU A 531 -5.123 2.660 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 531 -7.749 2.301 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 531 -6.149 4.769 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 531 -7.837 4.908 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 531 -5.793 3.446 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 531 -6.132 5.155 -0.632 1.00 0.00 H new ATOM 573 N GLU A 532 -7.415 3.398 -5.348 1.00 0.00 N ATOM 574 CA GLU A 532 -8.104 3.531 -6.627 1.00 0.00 C ATOM 575 C GLU A 532 -8.573 2.166 -7.119 1.00 0.00 C ATOM 576 O GLU A 532 -9.646 2.037 -7.709 1.00 0.00 O ATOM 577 CB GLU A 532 -7.166 4.160 -7.664 1.00 0.00 C ATOM 578 CG GLU A 532 -7.008 5.654 -7.372 1.00 0.00 C ATOM 579 CD GLU A 532 -8.261 6.406 -7.804 1.00 0.00 C ATOM 580 OE1 GLU A 532 -8.811 6.059 -8.836 1.00 0.00 O ATOM 581 OE2 GLU A 532 -8.655 7.320 -7.096 1.00 0.00 O ATOM 0 H GLU A 532 -6.426 3.647 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 532 -8.972 4.175 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 532 -6.194 3.668 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 532 -7.567 4.015 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 532 -6.831 5.808 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 532 -6.139 6.046 -7.900 1.00 0.00 H new ATOM 588 N THR A 533 -7.749 1.154 -6.871 1.00 0.00 N ATOM 589 CA THR A 533 -8.066 -0.206 -7.293 1.00 0.00 C ATOM 590 C THR A 533 -9.235 -0.757 -6.487 1.00 0.00 C ATOM 591 O THR A 533 -10.212 -1.255 -7.045 1.00 0.00 O ATOM 592 CB THR A 533 -6.844 -1.108 -7.105 1.00 0.00 C ATOM 593 OG1 THR A 533 -5.712 -0.500 -7.710 1.00 0.00 O ATOM 594 CG2 THR A 533 -7.106 -2.466 -7.754 1.00 0.00 C ATOM 0 H THR A 533 -6.859 1.249 -6.381 1.00 0.00 H new ATOM 0 HA THR A 533 -8.344 -0.185 -8.347 1.00 0.00 H new ATOM 0 HB THR A 533 -6.655 -1.249 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.370 0.209 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 533 -6.235 -3.108 -7.620 1.00 0.00 H new ATOM 0 HG22 THR A 533 -7.975 -2.931 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 533 -7.295 -2.330 -8.819 1.00 0.00 H new ATOM 602 N GLY A 534 -9.115 -0.675 -5.163 1.00 0.00 N ATOM 603 CA GLY A 534 -10.152 -1.178 -4.259 1.00 0.00 C ATOM 604 C GLY A 534 -9.660 -2.433 -3.549 1.00 0.00 C ATOM 605 O GLY A 534 -9.550 -3.494 -4.158 1.00 0.00 O ATOM 0 H GLY A 534 -8.310 -0.265 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -10.410 -0.413 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -11.059 -1.400 -4.821 1.00 0.00 H new ATOM 609 N HIS A 535 -9.370 -2.296 -2.256 1.00 0.00 N ATOM 610 CA HIS A 535 -8.886 -3.415 -1.445 1.00 0.00 C ATOM 611 C HIS A 535 -8.265 -2.872 -0.152 1.00 0.00 C ATOM 612 O HIS A 535 -7.067 -3.023 0.088 1.00 0.00 O ATOM 613 CB HIS A 535 -7.850 -4.254 -2.240 1.00 0.00 C ATOM 614 CG HIS A 535 -8.510 -5.460 -2.868 1.00 0.00 C ATOM 615 ND1 HIS A 535 -9.332 -6.312 -2.148 1.00 0.00 N ATOM 616 CD2 HIS A 535 -8.476 -5.963 -4.145 1.00 0.00 C ATOM 617 CE1 HIS A 535 -9.756 -7.275 -2.988 1.00 0.00 C ATOM 618 NE2 HIS A 535 -9.263 -7.109 -4.218 1.00 0.00 N ATOM 0 H HIS A 535 -9.462 -1.418 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 535 -9.723 -4.067 -1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 535 -7.393 -3.638 -3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 535 -7.048 -4.576 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 535 -7.923 -5.535 -4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 535 -10.414 -8.082 -2.702 1.00 0.00 H new ATOM 0 HE2 HIS A 535 -9.428 -7.696 -5.036 1.00 0.00 H new ATOM 627 N PHE A 536 -9.083 -2.230 0.678 1.00 0.00 N ATOM 628 CA PHE A 536 -8.589 -1.668 1.934 1.00 0.00 C ATOM 629 C PHE A 536 -9.707 -1.580 2.966 1.00 0.00 C ATOM 630 O PHE A 536 -10.890 -1.591 2.627 1.00 0.00 O ATOM 631 CB PHE A 536 -8.006 -0.273 1.693 1.00 0.00 C ATOM 632 CG PHE A 536 -9.066 0.628 1.102 1.00 0.00 C ATOM 633 CD1 PHE A 536 -10.041 1.201 1.929 1.00 0.00 C ATOM 634 CD2 PHE A 536 -9.070 0.896 -0.272 1.00 0.00 C ATOM 635 CE1 PHE A 536 -11.020 2.039 1.381 1.00 0.00 C ATOM 636 CE2 PHE A 536 -10.049 1.735 -0.820 1.00 0.00 C ATOM 637 CZ PHE A 536 -11.023 2.306 0.006 1.00 0.00 C ATOM 0 H PHE A 536 -10.078 -2.086 0.508 1.00 0.00 H new ATOM 0 HA PHE A 536 -7.810 -2.327 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 536 -7.641 0.146 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 536 -7.152 -0.337 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 536 -10.038 0.996 2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 536 -8.318 0.456 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 536 -11.773 2.479 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 536 -10.052 1.941 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 536 -11.778 2.953 -0.417 1.00 0.00 H new ATOM 647 N HIS A 537 -9.305 -1.465 4.230 1.00 0.00 N ATOM 648 CA HIS A 537 -10.249 -1.340 5.341 1.00 0.00 C ATOM 649 C HIS A 537 -9.836 -0.159 6.216 1.00 0.00 C ATOM 650 O HIS A 537 -9.018 -0.306 7.124 1.00 0.00 O ATOM 651 CB HIS A 537 -10.252 -2.625 6.174 1.00 0.00 C ATOM 652 CG HIS A 537 -10.258 -3.816 5.255 1.00 0.00 C ATOM 653 ND1 HIS A 537 -9.217 -4.731 5.227 1.00 0.00 N ATOM 654 CD2 HIS A 537 -11.170 -4.257 4.330 1.00 0.00 C ATOM 655 CE1 HIS A 537 -9.525 -5.667 4.311 1.00 0.00 C ATOM 656 NE2 HIS A 537 -10.705 -5.426 3.734 1.00 0.00 N ATOM 0 H HIS A 537 -8.325 -1.456 4.513 1.00 0.00 H new ATOM 0 HA HIS A 537 -11.252 -1.174 4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 537 -9.375 -2.655 6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 537 -11.127 -2.648 6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 537 -12.106 -3.771 4.099 1.00 0.00 H new ATOM 0 HE1 HIS A 537 -8.895 -6.511 4.071 1.00 0.00 H new ATOM 0 HE2 HIS A 537 -11.166 -5.979 3.012 1.00 0.00 H new ATOM 665 N ILE A 538 -10.417 1.008 5.945 1.00 0.00 N ATOM 666 CA ILE A 538 -10.115 2.210 6.724 1.00 0.00 C ATOM 667 C ILE A 538 -11.127 2.358 7.856 1.00 0.00 C ATOM 668 O ILE A 538 -12.334 2.251 7.639 1.00 0.00 O ATOM 669 CB ILE A 538 -10.157 3.449 5.818 1.00 0.00 C ATOM 670 CG1 ILE A 538 -8.968 3.413 4.856 1.00 0.00 C ATOM 671 CG2 ILE A 538 -10.077 4.722 6.668 1.00 0.00 C ATOM 672 CD1 ILE A 538 -9.175 4.441 3.742 1.00 0.00 C ATOM 0 H ILE A 538 -11.096 1.148 5.197 1.00 0.00 H new ATOM 0 HA ILE A 538 -9.115 2.118 7.148 1.00 0.00 H new ATOM 0 HB ILE A 538 -11.091 3.449 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 538 -8.045 3.627 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 538 -8.863 2.416 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 538 -10.107 5.596 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 538 -10.921 4.753 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 538 -9.146 4.723 7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 538 -8.326 4.413 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 538 -10.089 4.207 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 538 -9.258 5.437 4.177 1.00 0.00 H new ATOM 684 N THR A 539 -10.626 2.602 9.064 1.00 0.00 N ATOM 685 CA THR A 539 -11.492 2.760 10.233 1.00 0.00 C ATOM 686 C THR A 539 -10.893 3.767 11.207 1.00 0.00 C ATOM 687 O THR A 539 -9.721 4.129 11.097 1.00 0.00 O ATOM 688 CB THR A 539 -11.670 1.412 10.938 1.00 0.00 C ATOM 689 OG1 THR A 539 -10.530 1.147 11.742 1.00 0.00 O ATOM 690 CG2 THR A 539 -11.830 0.303 9.897 1.00 0.00 C ATOM 0 H THR A 539 -9.629 2.695 9.261 1.00 0.00 H new ATOM 0 HA THR A 539 -12.462 3.125 9.897 1.00 0.00 H new ATOM 0 HB THR A 539 -12.560 1.447 11.566 1.00 0.00 H new ATOM 0 HG1 THR A 539 -10.643 0.286 12.195 1.00 0.00 H new ATOM 0 HG21 THR A 539 -11.956 -0.655 10.402 1.00 0.00 H new ATOM 0 HG22 THR A 539 -12.705 0.506 9.280 1.00 0.00 H new ATOM 0 HG23 THR A 539 -10.942 0.266 9.266 1.00 0.00 H new ATOM 698 N ASN A 540 -11.706 4.222 12.159 1.00 0.00 N ATOM 699 CA ASN A 540 -11.246 5.193 13.149 1.00 0.00 C ATOM 700 C ASN A 540 -10.396 6.266 12.481 1.00 0.00 C ATOM 701 O ASN A 540 -10.918 7.212 11.891 1.00 0.00 O ATOM 702 CB ASN A 540 -10.426 4.489 14.231 1.00 0.00 C ATOM 703 CG ASN A 540 -11.321 3.551 15.035 1.00 0.00 C ATOM 704 OD1 ASN A 540 -12.511 3.818 15.201 1.00 0.00 O ATOM 705 ND2 ASN A 540 -10.815 2.464 15.547 1.00 0.00 N ATOM 0 H ASN A 540 -12.679 3.936 12.265 1.00 0.00 H new ATOM 0 HA ASN A 540 -12.117 5.663 13.606 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -9.612 3.926 13.774 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -9.971 5.227 14.892 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.406 1.832 16.087 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -9.828 2.246 15.407 1.00 0.00 H new ATOM 712 N THR A 541 -9.080 6.100 12.565 1.00 0.00 N ATOM 713 CA THR A 541 -8.155 7.048 11.951 1.00 0.00 C ATOM 714 C THR A 541 -6.854 6.348 11.572 1.00 0.00 C ATOM 715 O THR A 541 -5.839 6.488 12.253 1.00 0.00 O ATOM 716 CB THR A 541 -7.855 8.193 12.921 1.00 0.00 C ATOM 717 OG1 THR A 541 -7.370 7.660 14.145 1.00 0.00 O ATOM 718 CG2 THR A 541 -9.133 8.994 13.183 1.00 0.00 C ATOM 0 H THR A 541 -8.631 5.323 13.049 1.00 0.00 H new ATOM 0 HA THR A 541 -8.619 7.450 11.051 1.00 0.00 H new ATOM 0 HB THR A 541 -7.102 8.849 12.485 1.00 0.00 H new ATOM 0 HG1 THR A 541 -6.588 7.096 13.969 1.00 0.00 H new ATOM 0 HG21 THR A 541 -8.917 9.809 13.874 1.00 0.00 H new ATOM 0 HG22 THR A 541 -9.504 9.404 12.244 1.00 0.00 H new ATOM 0 HG23 THR A 541 -9.889 8.341 13.618 1.00 0.00 H new ATOM 726 N THR A 542 -6.893 5.595 10.476 1.00 0.00 N ATOM 727 CA THR A 542 -5.710 4.879 10.010 1.00 0.00 C ATOM 728 C THR A 542 -5.994 4.224 8.655 1.00 0.00 C ATOM 729 O THR A 542 -7.146 4.115 8.236 1.00 0.00 O ATOM 730 CB THR A 542 -5.299 3.814 11.061 1.00 0.00 C ATOM 731 OG1 THR A 542 -6.208 3.866 12.151 1.00 0.00 O ATOM 732 CG2 THR A 542 -3.880 4.082 11.582 1.00 0.00 C ATOM 0 H THR A 542 -7.724 5.466 9.898 1.00 0.00 H new ATOM 0 HA THR A 542 -4.886 5.581 9.884 1.00 0.00 H new ATOM 0 HB THR A 542 -5.320 2.831 10.591 1.00 0.00 H new ATOM 0 HG1 THR A 542 -5.956 3.195 12.819 1.00 0.00 H new ATOM 0 HG21 THR A 542 -3.613 3.323 12.318 1.00 0.00 H new ATOM 0 HG22 THR A 542 -3.175 4.046 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 542 -3.843 5.067 12.047 1.00 0.00 H new ATOM 740 N PHE A 543 -4.932 3.780 7.983 1.00 0.00 N ATOM 741 CA PHE A 543 -5.060 3.122 6.679 1.00 0.00 C ATOM 742 C PHE A 543 -4.369 1.762 6.716 1.00 0.00 C ATOM 743 O PHE A 543 -3.147 1.677 6.605 1.00 0.00 O ATOM 744 CB PHE A 543 -4.433 4.004 5.586 1.00 0.00 C ATOM 745 CG PHE A 543 -4.255 3.206 4.310 1.00 0.00 C ATOM 746 CD1 PHE A 543 -5.369 2.856 3.539 1.00 0.00 C ATOM 747 CD2 PHE A 543 -2.973 2.813 3.904 1.00 0.00 C ATOM 748 CE1 PHE A 543 -5.202 2.113 2.364 1.00 0.00 C ATOM 749 CE2 PHE A 543 -2.807 2.071 2.729 1.00 0.00 C ATOM 750 CZ PHE A 543 -3.921 1.722 1.959 1.00 0.00 C ATOM 0 H PHE A 543 -3.972 3.863 8.319 1.00 0.00 H new ATOM 0 HA PHE A 543 -6.116 2.976 6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 543 -5.069 4.869 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 543 -3.469 4.384 5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 543 -6.358 3.159 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 543 -2.112 3.083 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 543 -6.062 1.842 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 543 -1.818 1.768 2.417 1.00 0.00 H new ATOM 0 HZ PHE A 543 -3.793 1.151 1.052 1.00 0.00 H new ATOM 760 N ASP A 544 -5.161 0.700 6.867 1.00 0.00 N ATOM 761 CA ASP A 544 -4.620 -0.658 6.915 1.00 0.00 C ATOM 762 C ASP A 544 -4.869 -1.382 5.597 1.00 0.00 C ATOM 763 O ASP A 544 -5.923 -1.223 4.979 1.00 0.00 O ATOM 764 CB ASP A 544 -5.279 -1.438 8.054 1.00 0.00 C ATOM 765 CG ASP A 544 -4.499 -2.720 8.326 1.00 0.00 C ATOM 766 OD1 ASP A 544 -3.928 -3.253 7.389 1.00 0.00 O ATOM 767 OD2 ASP A 544 -4.486 -3.152 9.467 1.00 0.00 O ATOM 0 H ASP A 544 -6.176 0.754 6.958 1.00 0.00 H new ATOM 0 HA ASP A 544 -3.545 -0.595 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 544 -5.312 -0.825 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 544 -6.310 -1.678 7.793 1.00 0.00 H new ATOM 772 N PHE A 545 -3.895 -2.182 5.175 1.00 0.00 N ATOM 773 CA PHE A 545 -4.013 -2.936 3.932 1.00 0.00 C ATOM 774 C PHE A 545 -3.121 -4.170 3.983 1.00 0.00 C ATOM 775 O PHE A 545 -2.092 -4.164 4.658 1.00 0.00 O ATOM 776 CB PHE A 545 -3.614 -2.062 2.742 1.00 0.00 C ATOM 777 CG PHE A 545 -2.176 -1.627 2.897 1.00 0.00 C ATOM 778 CD1 PHE A 545 -1.842 -0.659 3.849 1.00 0.00 C ATOM 779 CD2 PHE A 545 -1.179 -2.190 2.090 1.00 0.00 C ATOM 780 CE1 PHE A 545 -0.511 -0.253 3.996 1.00 0.00 C ATOM 781 CE2 PHE A 545 0.152 -1.783 2.237 1.00 0.00 C ATOM 782 CZ PHE A 545 0.486 -0.814 3.190 1.00 0.00 C ATOM 0 H PHE A 545 -3.017 -2.325 5.674 1.00 0.00 H new ATOM 0 HA PHE A 545 -5.051 -3.248 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 545 -3.739 -2.616 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 545 -4.265 -1.190 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 545 -2.611 -0.225 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 545 -1.437 -2.938 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 545 -0.253 0.494 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 545 0.921 -2.217 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 545 1.513 -0.499 3.303 1.00 0.00 H new ATOM 792 N ASP A 546 -3.491 -5.220 3.256 1.00 0.00 N ATOM 793 CA ASP A 546 -2.682 -6.439 3.221 1.00 0.00 C ATOM 794 C ASP A 546 -1.873 -6.476 1.929 1.00 0.00 C ATOM 795 O ASP A 546 -2.356 -6.064 0.876 1.00 0.00 O ATOM 796 CB ASP A 546 -3.588 -7.669 3.293 1.00 0.00 C ATOM 797 CG ASP A 546 -4.598 -7.506 4.424 1.00 0.00 C ATOM 798 OD1 ASP A 546 -4.294 -6.793 5.365 1.00 0.00 O ATOM 799 OD2 ASP A 546 -5.661 -8.097 4.331 1.00 0.00 O ATOM 0 H ASP A 546 -4.337 -5.254 2.687 1.00 0.00 H new ATOM 0 HA ASP A 546 -2.005 -6.444 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 546 -4.109 -7.803 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 546 -2.988 -8.564 3.456 1.00 0.00 H new ATOM 804 N LEU A 547 -0.644 -6.969 2.014 1.00 0.00 N ATOM 805 CA LEU A 547 0.216 -7.049 0.840 1.00 0.00 C ATOM 806 C LEU A 547 -0.195 -8.239 -0.021 1.00 0.00 C ATOM 807 O LEU A 547 0.249 -8.381 -1.160 1.00 0.00 O ATOM 808 CB LEU A 547 1.678 -7.215 1.273 1.00 0.00 C ATOM 809 CG LEU A 547 2.263 -5.898 1.827 1.00 0.00 C ATOM 810 CD1 LEU A 547 2.621 -4.941 0.681 1.00 0.00 C ATOM 811 CD2 LEU A 547 1.257 -5.209 2.756 1.00 0.00 C ATOM 0 H LEU A 547 -0.223 -7.317 2.875 1.00 0.00 H new ATOM 0 HA LEU A 547 0.113 -6.130 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.746 -7.992 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.274 -7.549 0.423 1.00 0.00 H new ATOM 0 HG LEU A 547 3.164 -6.145 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.032 -4.019 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.361 -5.410 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.725 -4.714 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.688 -4.283 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.345 -4.985 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.022 -5.869 3.591 1.00 0.00 H new ATOM 823 N CYS A 548 -1.047 -9.095 0.538 1.00 0.00 N ATOM 824 CA CYS A 548 -1.524 -10.276 -0.175 1.00 0.00 C ATOM 825 C CYS A 548 -2.774 -9.941 -0.977 1.00 0.00 C ATOM 826 O CYS A 548 -3.208 -10.719 -1.826 1.00 0.00 O ATOM 827 CB CYS A 548 -1.834 -11.394 0.825 1.00 0.00 C ATOM 828 SG CYS A 548 -1.925 -12.977 -0.047 1.00 0.00 S ATOM 0 H CYS A 548 -1.421 -8.993 1.482 1.00 0.00 H new ATOM 0 HA CYS A 548 -0.746 -10.610 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 548 -1.061 -11.434 1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 548 -2.777 -11.191 1.332 1.00 0.00 H new ATOM 0 HG CYS A 548 -2.500 -12.805 -1.200 1.00 0.00 H new ATOM 834 N SER A 549 -3.342 -8.772 -0.705 1.00 0.00 N ATOM 835 CA SER A 549 -4.540 -8.327 -1.410 1.00 0.00 C ATOM 836 C SER A 549 -4.161 -7.590 -2.693 1.00 0.00 C ATOM 837 O SER A 549 -5.016 -7.018 -3.369 1.00 0.00 O ATOM 838 CB SER A 549 -5.355 -7.395 -0.512 1.00 0.00 C ATOM 839 OG SER A 549 -6.617 -7.143 -1.118 1.00 0.00 O ATOM 0 H SER A 549 -2.995 -8.117 -0.004 1.00 0.00 H new ATOM 0 HA SER A 549 -5.136 -9.203 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 549 -5.494 -7.847 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 549 -4.819 -6.458 -0.359 1.00 0.00 H new ATOM 0 HG SER A 549 -6.497 -7.015 -2.082 1.00 0.00 H new ATOM 845 N LEU A 550 -2.870 -7.615 -3.020 1.00 0.00 N ATOM 846 CA LEU A 550 -2.380 -6.953 -4.225 1.00 0.00 C ATOM 847 C LEU A 550 -2.585 -7.843 -5.445 1.00 0.00 C ATOM 848 O LEU A 550 -2.878 -9.032 -5.319 1.00 0.00 O ATOM 849 CB LEU A 550 -0.885 -6.642 -4.092 1.00 0.00 C ATOM 850 CG LEU A 550 -0.605 -5.919 -2.771 1.00 0.00 C ATOM 851 CD1 LEU A 550 0.909 -5.689 -2.627 1.00 0.00 C ATOM 852 CD2 LEU A 550 -1.338 -4.569 -2.754 1.00 0.00 C ATOM 0 H LEU A 550 -2.150 -8.084 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 550 -2.941 -6.027 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -0.309 -7.567 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -0.560 -6.023 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 550 -0.961 -6.529 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 550 1.111 -5.174 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 550 1.425 -6.649 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 550 1.265 -5.080 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -1.137 -4.057 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -0.988 -3.954 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -2.410 -4.736 -2.854 1.00 0.00 H new ATOM 864 N ASP A 551 -2.409 -7.259 -6.632 1.00 0.00 N ATOM 865 CA ASP A 551 -2.553 -7.997 -7.889 1.00 0.00 C ATOM 866 C ASP A 551 -1.229 -7.985 -8.641 1.00 0.00 C ATOM 867 O ASP A 551 -0.548 -6.962 -8.696 1.00 0.00 O ATOM 868 CB ASP A 551 -3.651 -7.364 -8.750 1.00 0.00 C ATOM 869 CG ASP A 551 -4.836 -6.970 -7.876 1.00 0.00 C ATOM 870 OD1 ASP A 551 -5.405 -7.850 -7.251 1.00 0.00 O ATOM 871 OD2 ASP A 551 -5.158 -5.793 -7.845 1.00 0.00 O ATOM 0 H ASP A 551 -2.166 -6.275 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 551 -2.833 -9.027 -7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 551 -3.260 -6.486 -9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 551 -3.973 -8.067 -9.518 1.00 0.00 H new ATOM 876 N LYS A 552 -0.863 -9.130 -9.204 1.00 0.00 N ATOM 877 CA LYS A 552 0.396 -9.248 -9.936 1.00 0.00 C ATOM 878 C LYS A 552 0.669 -7.996 -10.772 1.00 0.00 C ATOM 879 O LYS A 552 1.780 -7.467 -10.764 1.00 0.00 O ATOM 880 CB LYS A 552 0.360 -10.490 -10.843 1.00 0.00 C ATOM 881 CG LYS A 552 0.692 -11.747 -10.028 1.00 0.00 C ATOM 882 CD LYS A 552 -0.325 -11.915 -8.897 1.00 0.00 C ATOM 883 CE LYS A 552 -0.176 -13.307 -8.280 1.00 0.00 C ATOM 884 NZ LYS A 552 -0.736 -14.325 -9.212 1.00 0.00 N ATOM 0 H LYS A 552 -1.415 -9.987 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 552 1.203 -9.353 -9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 552 -0.626 -10.591 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 552 1.075 -10.376 -11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 552 0.679 -12.625 -10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 552 1.698 -11.669 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 552 -0.169 -11.150 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 552 -1.337 -11.782 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 552 0.875 -13.518 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 552 -0.695 -13.350 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 -0.950 -15.197 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 -1.608 -13.958 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 -0.042 -14.532 -9.958 1.00 0.00 H new ATOM 898 N THR A 553 -0.346 -7.528 -11.488 1.00 0.00 N ATOM 899 CA THR A 553 -0.190 -6.339 -12.318 1.00 0.00 C ATOM 900 C THR A 553 -0.021 -5.096 -11.450 1.00 0.00 C ATOM 901 O THR A 553 0.649 -4.141 -11.842 1.00 0.00 O ATOM 902 CB THR A 553 -1.402 -6.173 -13.225 1.00 0.00 C ATOM 903 OG1 THR A 553 -1.732 -7.425 -13.810 1.00 0.00 O ATOM 904 CG2 THR A 553 -1.090 -5.157 -14.327 1.00 0.00 C ATOM 0 H THR A 553 -1.276 -7.947 -11.512 1.00 0.00 H new ATOM 0 HA THR A 553 0.704 -6.461 -12.930 1.00 0.00 H new ATOM 0 HB THR A 553 -2.246 -5.814 -12.636 1.00 0.00 H new ATOM 0 HG1 THR A 553 -2.513 -7.318 -14.392 1.00 0.00 H new ATOM 0 HG21 THR A 553 -1.960 -5.042 -14.973 1.00 0.00 H new ATOM 0 HG22 THR A 553 -0.843 -4.196 -13.876 1.00 0.00 H new ATOM 0 HG23 THR A 553 -0.244 -5.509 -14.917 1.00 0.00 H new ATOM 912 N THR A 554 -0.634 -5.117 -10.270 1.00 0.00 N ATOM 913 CA THR A 554 -0.547 -3.985 -9.350 1.00 0.00 C ATOM 914 C THR A 554 0.716 -4.079 -8.499 1.00 0.00 C ATOM 915 O THR A 554 1.207 -3.073 -7.985 1.00 0.00 O ATOM 916 CB THR A 554 -1.779 -3.956 -8.442 1.00 0.00 C ATOM 917 OG1 THR A 554 -2.945 -4.164 -9.227 1.00 0.00 O ATOM 918 CG2 THR A 554 -1.874 -2.600 -7.741 1.00 0.00 C ATOM 0 H THR A 554 -1.193 -5.899 -9.929 1.00 0.00 H new ATOM 0 HA THR A 554 -0.506 -3.067 -9.936 1.00 0.00 H new ATOM 0 HB THR A 554 -1.694 -4.743 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.647 -4.562 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 554 -2.753 -2.585 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.979 -2.438 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.958 -1.810 -8.487 1.00 0.00 H new ATOM 926 N VAL A 555 1.250 -5.288 -8.363 1.00 0.00 N ATOM 927 CA VAL A 555 2.462 -5.486 -7.579 1.00 0.00 C ATOM 928 C VAL A 555 3.651 -4.851 -8.291 1.00 0.00 C ATOM 929 O VAL A 555 4.606 -4.408 -7.657 1.00 0.00 O ATOM 930 CB VAL A 555 2.710 -6.986 -7.372 1.00 0.00 C ATOM 931 CG1 VAL A 555 4.098 -7.208 -6.762 1.00 0.00 C ATOM 932 CG2 VAL A 555 1.647 -7.551 -6.425 1.00 0.00 C ATOM 0 H VAL A 555 0.867 -6.136 -8.780 1.00 0.00 H new ATOM 0 HA VAL A 555 2.339 -5.011 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 555 2.655 -7.493 -8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 555 4.266 -8.275 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 555 4.858 -6.808 -7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 555 4.158 -6.699 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 555 1.821 -8.617 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 555 1.704 -7.037 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 555 0.658 -7.402 -6.858 1.00 0.00 H new ATOM 942 N ARG A 556 3.582 -4.820 -9.616 1.00 0.00 N ATOM 943 CA ARG A 556 4.656 -4.249 -10.416 1.00 0.00 C ATOM 944 C ARG A 556 4.677 -2.726 -10.296 1.00 0.00 C ATOM 945 O ARG A 556 5.746 -2.115 -10.261 1.00 0.00 O ATOM 946 CB ARG A 556 4.475 -4.657 -11.889 1.00 0.00 C ATOM 947 CG ARG A 556 4.958 -6.109 -12.106 1.00 0.00 C ATOM 948 CD ARG A 556 6.450 -6.124 -12.480 1.00 0.00 C ATOM 949 NE ARG A 556 7.147 -5.017 -11.835 1.00 0.00 N ATOM 950 CZ ARG A 556 8.467 -5.033 -11.677 1.00 0.00 C ATOM 951 NH1 ARG A 556 9.163 -6.051 -12.102 1.00 0.00 N ATOM 952 NH2 ARG A 556 9.068 -4.029 -11.096 1.00 0.00 N ATOM 0 H ARG A 556 2.797 -5.182 -10.157 1.00 0.00 H new ATOM 0 HA ARG A 556 5.606 -4.632 -10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 556 3.426 -4.569 -12.172 1.00 0.00 H new ATOM 0 HB3 ARG A 556 5.036 -3.980 -12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 556 4.797 -6.692 -11.199 1.00 0.00 H new ATOM 0 HG3 ARG A 556 4.373 -6.580 -12.896 1.00 0.00 H new ATOM 0 HD2 ARG A 556 6.898 -7.070 -12.177 1.00 0.00 H new ATOM 0 HD3 ARG A 556 6.561 -6.051 -13.562 1.00 0.00 H new ATOM 0 HE ARG A 556 6.612 -4.216 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 556 8.695 -6.835 -12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 556 10.176 -6.063 -11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 556 8.525 -3.233 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 556 10.081 -4.042 -10.975 1.00 0.00 H new ATOM 966 N LYS A 557 3.497 -2.114 -10.229 1.00 0.00 N ATOM 967 CA LYS A 557 3.413 -0.663 -10.109 1.00 0.00 C ATOM 968 C LYS A 557 3.716 -0.234 -8.678 1.00 0.00 C ATOM 969 O LYS A 557 4.112 0.905 -8.430 1.00 0.00 O ATOM 970 CB LYS A 557 2.015 -0.173 -10.505 1.00 0.00 C ATOM 971 CG LYS A 557 1.677 -0.642 -11.928 1.00 0.00 C ATOM 972 CD LYS A 557 0.585 0.252 -12.530 1.00 0.00 C ATOM 973 CE LYS A 557 -0.603 0.343 -11.568 1.00 0.00 C ATOM 974 NZ LYS A 557 -0.966 -1.021 -11.094 1.00 0.00 N ATOM 0 H LYS A 557 2.597 -2.594 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 557 4.149 -0.221 -10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 557 1.274 -0.554 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 557 1.974 0.915 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 557 2.570 -0.610 -12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 557 1.340 -1.678 -11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.984 1.248 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 557 0.258 -0.153 -13.488 1.00 0.00 H new ATOM 0 HE2 LYS A 557 -0.349 0.978 -10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 557 -1.455 0.804 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 -2.000 -1.099 -11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 -0.613 -1.729 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 -0.539 -1.189 -10.161 1.00 0.00 H new ATOM 988 N LEU A 558 3.527 -1.156 -7.740 1.00 0.00 N ATOM 989 CA LEU A 558 3.781 -0.870 -6.333 1.00 0.00 C ATOM 990 C LEU A 558 5.269 -0.991 -6.023 1.00 0.00 C ATOM 991 O LEU A 558 5.907 -0.023 -5.608 1.00 0.00 O ATOM 992 CB LEU A 558 2.986 -1.842 -5.454 1.00 0.00 C ATOM 993 CG LEU A 558 1.491 -1.463 -5.476 1.00 0.00 C ATOM 994 CD1 LEU A 558 0.652 -2.664 -5.029 1.00 0.00 C ATOM 995 CD2 LEU A 558 1.219 -0.278 -4.530 1.00 0.00 C ATOM 0 H LEU A 558 3.200 -2.104 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 558 3.463 0.151 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 558 3.117 -2.863 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.363 -1.814 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 558 1.221 -1.175 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -0.404 -2.396 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 558 0.824 -3.500 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 558 0.938 -2.952 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 558 0.159 -0.025 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 558 1.499 -0.553 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 558 1.806 0.583 -4.848 1.00 0.00 H new ATOM 1007 N GLN A 559 5.817 -2.182 -6.231 1.00 0.00 N ATOM 1008 CA GLN A 559 7.233 -2.412 -5.973 1.00 0.00 C ATOM 1009 C GLN A 559 8.079 -1.334 -6.650 1.00 0.00 C ATOM 1010 O GLN A 559 9.179 -1.017 -6.197 1.00 0.00 O ATOM 1011 CB GLN A 559 7.641 -3.790 -6.499 1.00 0.00 C ATOM 1012 CG GLN A 559 6.891 -4.879 -5.724 1.00 0.00 C ATOM 1013 CD GLN A 559 7.066 -6.225 -6.419 1.00 0.00 C ATOM 1014 OE1 GLN A 559 6.584 -7.245 -5.927 1.00 0.00 O ATOM 1015 NE2 GLN A 559 7.732 -6.290 -7.541 1.00 0.00 N ATOM 0 H GLN A 559 5.308 -2.997 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 559 7.402 -2.370 -4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.415 -3.866 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 559 8.717 -3.928 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.268 -4.936 -4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 559 5.832 -4.628 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 559 8.131 -5.444 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 559 7.853 -7.187 -8.011 1.00 0.00 H new ATOM 1024 N SER A 560 7.558 -0.780 -7.741 1.00 0.00 N ATOM 1025 CA SER A 560 8.271 0.258 -8.483 1.00 0.00 C ATOM 1026 C SER A 560 8.411 1.531 -7.652 1.00 0.00 C ATOM 1027 O SER A 560 9.512 2.059 -7.499 1.00 0.00 O ATOM 1028 CB SER A 560 7.524 0.574 -9.779 1.00 0.00 C ATOM 1029 OG SER A 560 8.131 1.695 -10.408 1.00 0.00 O ATOM 0 H SER A 560 6.649 -1.030 -8.130 1.00 0.00 H new ATOM 0 HA SER A 560 9.269 -0.115 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 560 7.547 -0.288 -10.445 1.00 0.00 H new ATOM 0 HB3 SER A 560 6.476 0.785 -9.566 1.00 0.00 H new ATOM 0 HG SER A 560 7.656 1.900 -11.240 1.00 0.00 H new ATOM 1035 N TYR A 561 7.298 2.030 -7.122 1.00 0.00 N ATOM 1036 CA TYR A 561 7.338 3.251 -6.320 1.00 0.00 C ATOM 1037 C TYR A 561 8.427 3.150 -5.253 1.00 0.00 C ATOM 1038 O TYR A 561 9.110 4.130 -4.957 1.00 0.00 O ATOM 1039 CB TYR A 561 5.982 3.495 -5.641 1.00 0.00 C ATOM 1040 CG TYR A 561 4.996 4.085 -6.629 1.00 0.00 C ATOM 1041 CD1 TYR A 561 5.242 5.342 -7.198 1.00 0.00 C ATOM 1042 CD2 TYR A 561 3.834 3.380 -6.971 1.00 0.00 C ATOM 1043 CE1 TYR A 561 4.329 5.889 -8.105 1.00 0.00 C ATOM 1044 CE2 TYR A 561 2.923 3.929 -7.879 1.00 0.00 C ATOM 1045 CZ TYR A 561 3.170 5.183 -8.446 1.00 0.00 C ATOM 1046 OH TYR A 561 2.270 5.725 -9.342 1.00 0.00 O ATOM 0 H TYR A 561 6.372 1.617 -7.230 1.00 0.00 H new ATOM 0 HA TYR A 561 7.560 4.086 -6.985 1.00 0.00 H new ATOM 0 HB2 TYR A 561 5.593 2.557 -5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 561 6.108 4.171 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 561 6.136 5.888 -6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 561 3.642 2.412 -6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 561 4.519 6.858 -8.543 1.00 0.00 H new ATOM 0 HE2 TYR A 561 2.028 3.384 -8.142 1.00 0.00 H new ATOM 0 HH TYR A 561 1.521 5.105 -9.469 1.00 0.00 H new ATOM 1056 N LEU A 562 8.577 1.965 -4.674 1.00 0.00 N ATOM 1057 CA LEU A 562 9.581 1.756 -3.637 1.00 0.00 C ATOM 1058 C LEU A 562 10.986 1.947 -4.199 1.00 0.00 C ATOM 1059 O LEU A 562 11.942 2.152 -3.452 1.00 0.00 O ATOM 1060 CB LEU A 562 9.444 0.349 -3.053 1.00 0.00 C ATOM 1061 CG LEU A 562 7.963 0.029 -2.824 1.00 0.00 C ATOM 1062 CD1 LEU A 562 7.840 -1.304 -2.085 1.00 0.00 C ATOM 1063 CD2 LEU A 562 7.320 1.138 -1.984 1.00 0.00 C ATOM 0 H LEU A 562 8.022 1.140 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 562 9.419 2.492 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 562 9.884 -0.382 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 562 9.991 0.280 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 562 7.454 -0.037 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 562 6.787 -1.533 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 562 8.295 -2.094 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 562 8.350 -1.236 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 562 6.267 0.908 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 562 7.828 1.207 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 562 7.407 2.089 -2.509 1.00 0.00 H new ATOM 1179 N LYS B 878 -1.062 -13.107 5.515 1.00 0.00 N ATOM 1180 CA LYS B 878 -1.569 -11.740 5.593 1.00 0.00 C ATOM 1181 C LYS B 878 -0.526 -10.837 6.244 1.00 0.00 C ATOM 1182 O LYS B 878 0.153 -11.234 7.191 1.00 0.00 O ATOM 1183 CB LYS B 878 -2.866 -11.709 6.415 1.00 0.00 C ATOM 1184 CG LYS B 878 -4.040 -12.261 5.580 1.00 0.00 C ATOM 1185 CD LYS B 878 -4.684 -11.134 4.760 1.00 0.00 C ATOM 1186 CE LYS B 878 -5.558 -11.735 3.657 1.00 0.00 C ATOM 1187 NZ LYS B 878 -6.432 -10.672 3.084 1.00 0.00 N ATOM 0 HA LYS B 878 -1.776 -11.380 4.585 1.00 0.00 H new ATOM 0 HB2 LYS B 878 -2.745 -12.302 7.322 1.00 0.00 H new ATOM 0 HB3 LYS B 878 -3.082 -10.688 6.729 1.00 0.00 H new ATOM 0 HG2 LYS B 878 -3.684 -13.047 4.914 1.00 0.00 H new ATOM 0 HG3 LYS B 878 -4.783 -12.712 6.238 1.00 0.00 H new ATOM 0 HD2 LYS B 878 -5.286 -10.497 5.408 1.00 0.00 H new ATOM 0 HD3 LYS B 878 -3.911 -10.502 4.322 1.00 0.00 H new ATOM 0 HE2 LYS B 878 -4.932 -12.167 2.876 1.00 0.00 H new ATOM 0 HE3 LYS B 878 -6.167 -12.544 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 878 -7.427 -10.892 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 878 -6.185 -9.754 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 878 -6.294 -10.627 2.054 1.00 0.00 H new ATOM 1201 N LEU B 879 -0.403 -9.622 5.721 1.00 0.00 N ATOM 1202 CA LEU B 879 0.558 -8.646 6.232 1.00 0.00 C ATOM 1203 C LEU B 879 -0.137 -7.296 6.391 1.00 0.00 C ATOM 1204 O LEU B 879 -0.125 -6.487 5.469 1.00 0.00 O ATOM 1205 CB LEU B 879 1.705 -8.482 5.225 1.00 0.00 C ATOM 1206 CG LEU B 879 2.492 -9.806 5.053 1.00 0.00 C ATOM 1207 CD1 LEU B 879 3.031 -9.919 3.618 1.00 0.00 C ATOM 1208 CD2 LEU B 879 3.670 -9.843 6.037 1.00 0.00 C ATOM 0 H LEU B 879 -0.961 -9.286 4.936 1.00 0.00 H new ATOM 0 HA LEU B 879 0.947 -8.990 7.191 1.00 0.00 H new ATOM 0 HB2 LEU B 879 1.305 -8.166 4.262 1.00 0.00 H new ATOM 0 HB3 LEU B 879 2.380 -7.696 5.563 1.00 0.00 H new ATOM 0 HG LEU B 879 1.819 -10.640 5.253 1.00 0.00 H new ATOM 0 HD11 LEU B 879 3.582 -10.853 3.509 1.00 0.00 H new ATOM 0 HD12 LEU B 879 2.199 -9.905 2.914 1.00 0.00 H new ATOM 0 HD13 LEU B 879 3.695 -9.080 3.412 1.00 0.00 H new ATOM 0 HD21 LEU B 879 4.220 -10.776 5.912 1.00 0.00 H new ATOM 0 HD22 LEU B 879 4.334 -9.001 5.841 1.00 0.00 H new ATOM 0 HD23 LEU B 879 3.294 -9.778 7.058 1.00 0.00 H new ATOM 1220 N PRO B 880 -0.749 -7.025 7.512 1.00 0.00 N ATOM 1221 CA PRO B 880 -1.453 -5.733 7.712 1.00 0.00 C ATOM 1222 C PRO B 880 -0.470 -4.604 8.036 1.00 0.00 C ATOM 1223 O PRO B 880 0.392 -4.753 8.899 1.00 0.00 O ATOM 1224 CB PRO B 880 -2.399 -6.023 8.882 1.00 0.00 C ATOM 1225 CG PRO B 880 -1.710 -7.086 9.685 1.00 0.00 C ATOM 1226 CD PRO B 880 -0.843 -7.893 8.701 1.00 0.00 C ATOM 0 HA PRO B 880 -1.981 -5.392 6.822 1.00 0.00 H new ATOM 0 HB2 PRO B 880 -2.573 -5.128 9.479 1.00 0.00 H new ATOM 0 HB3 PRO B 880 -3.372 -6.364 8.528 1.00 0.00 H new ATOM 0 HG2 PRO B 880 -1.095 -6.642 10.468 1.00 0.00 H new ATOM 0 HG3 PRO B 880 -2.437 -7.731 10.178 1.00 0.00 H new ATOM 0 HD2 PRO B 880 0.141 -8.106 9.118 1.00 0.00 H new ATOM 0 HD3 PRO B 880 -1.301 -8.852 8.460 1.00 0.00 H new ATOM 1234 N VAL B 881 -0.630 -3.466 7.357 1.00 0.00 N ATOM 1235 CA VAL B 881 0.227 -2.296 7.589 1.00 0.00 C ATOM 1236 C VAL B 881 -0.637 -1.052 7.747 1.00 0.00 C ATOM 1237 O VAL B 881 -1.238 -0.574 6.785 1.00 0.00 O ATOM 1238 CB VAL B 881 1.191 -2.097 6.414 1.00 0.00 C ATOM 1239 CG1 VAL B 881 1.961 -0.784 6.597 1.00 0.00 C ATOM 1240 CG2 VAL B 881 2.180 -3.262 6.363 1.00 0.00 C ATOM 0 H VAL B 881 -1.344 -3.328 6.642 1.00 0.00 H new ATOM 0 HA VAL B 881 0.805 -2.462 8.498 1.00 0.00 H new ATOM 0 HB VAL B 881 0.624 -2.058 5.484 1.00 0.00 H new ATOM 0 HG11 VAL B 881 2.646 -0.644 5.761 1.00 0.00 H new ATOM 0 HG12 VAL B 881 1.258 0.048 6.633 1.00 0.00 H new ATOM 0 HG13 VAL B 881 2.527 -0.821 7.528 1.00 0.00 H new ATOM 0 HG21 VAL B 881 2.866 -3.121 5.528 1.00 0.00 H new ATOM 0 HG22 VAL B 881 2.745 -3.300 7.294 1.00 0.00 H new ATOM 0 HG23 VAL B 881 1.635 -4.197 6.231 1.00 0.00 H new ATOM 1250 N SER B 882 -0.692 -0.533 8.969 1.00 0.00 N ATOM 1251 CA SER B 882 -1.487 0.656 9.259 1.00 0.00 C ATOM 1252 C SER B 882 -0.654 1.927 9.117 1.00 0.00 C ATOM 1253 O SER B 882 0.466 1.998 9.624 1.00 0.00 O ATOM 1254 CB SER B 882 -2.036 0.575 10.682 1.00 0.00 C ATOM 1255 OG SER B 882 -2.760 -0.639 10.837 1.00 0.00 O ATOM 0 H SER B 882 -0.196 -0.916 9.774 1.00 0.00 H new ATOM 0 HA SER B 882 -2.307 0.695 8.542 1.00 0.00 H new ATOM 0 HB2 SER B 882 -1.219 0.619 11.402 1.00 0.00 H new ATOM 0 HB3 SER B 882 -2.685 1.427 10.883 1.00 0.00 H new ATOM 0 HG SER B 882 -3.113 -0.695 11.750 1.00 0.00 H new ATOM 1261 N ILE B 883 -1.198 2.932 8.429 1.00 0.00 N ATOM 1262 CA ILE B 883 -0.493 4.203 8.228 1.00 0.00 C ATOM 1263 C ILE B 883 -1.367 5.371 8.710 1.00 0.00 C ATOM 1264 O ILE B 883 -2.404 5.643 8.104 1.00 0.00 O ATOM 1265 CB ILE B 883 -0.196 4.403 6.738 1.00 0.00 C ATOM 1266 CG1 ILE B 883 0.372 3.112 6.143 1.00 0.00 C ATOM 1267 CG2 ILE B 883 0.821 5.533 6.570 1.00 0.00 C ATOM 1268 CD1 ILE B 883 0.795 3.365 4.691 1.00 0.00 C ATOM 0 H ILE B 883 -2.123 2.893 8.001 1.00 0.00 H new ATOM 0 HA ILE B 883 0.437 4.176 8.795 1.00 0.00 H new ATOM 0 HB ILE B 883 -1.119 4.661 6.219 1.00 0.00 H new ATOM 0 HG12 ILE B 883 1.227 2.773 6.729 1.00 0.00 H new ATOM 0 HG13 ILE B 883 -0.376 2.320 6.183 1.00 0.00 H new ATOM 0 HG21 ILE B 883 1.034 5.677 5.511 1.00 0.00 H new ATOM 0 HG22 ILE B 883 0.414 6.454 6.987 1.00 0.00 H new ATOM 0 HG23 ILE B 883 1.742 5.275 7.093 1.00 0.00 H new ATOM 0 HD11 ILE B 883 1.200 2.447 4.265 1.00 0.00 H new ATOM 0 HD12 ILE B 883 -0.071 3.684 4.110 1.00 0.00 H new ATOM 0 HD13 ILE B 883 1.557 4.144 4.664 1.00 0.00 H new ATOM 1280 N PRO B 884 -0.994 6.074 9.759 1.00 0.00 N ATOM 1281 CA PRO B 884 -1.805 7.220 10.261 1.00 0.00 C ATOM 1282 C PRO B 884 -2.312 8.108 9.123 1.00 0.00 C ATOM 1283 O PRO B 884 -1.557 8.457 8.215 1.00 0.00 O ATOM 1284 CB PRO B 884 -0.829 7.974 11.167 1.00 0.00 C ATOM 1285 CG PRO B 884 0.080 6.914 11.700 1.00 0.00 C ATOM 1286 CD PRO B 884 0.215 5.870 10.584 1.00 0.00 C ATOM 0 HA PRO B 884 -2.708 6.897 10.780 1.00 0.00 H new ATOM 0 HB2 PRO B 884 -0.274 8.730 10.611 1.00 0.00 H new ATOM 0 HB3 PRO B 884 -1.352 8.490 11.972 1.00 0.00 H new ATOM 0 HG2 PRO B 884 1.052 7.331 11.964 1.00 0.00 H new ATOM 0 HG3 PRO B 884 -0.331 6.467 12.605 1.00 0.00 H new ATOM 0 HD2 PRO B 884 1.125 6.021 10.003 1.00 0.00 H new ATOM 0 HD3 PRO B 884 0.258 4.858 10.987 1.00 0.00 H new ATOM 1294 N LEU B 885 -3.592 8.460 9.172 1.00 0.00 N ATOM 1295 CA LEU B 885 -4.182 9.297 8.133 1.00 0.00 C ATOM 1296 C LEU B 885 -3.553 10.685 8.135 1.00 0.00 C ATOM 1297 O LEU B 885 -3.707 11.448 7.181 1.00 0.00 O ATOM 1298 CB LEU B 885 -5.694 9.429 8.346 1.00 0.00 C ATOM 1299 CG LEU B 885 -6.336 8.046 8.506 1.00 0.00 C ATOM 1300 CD1 LEU B 885 -7.857 8.205 8.534 1.00 0.00 C ATOM 1301 CD2 LEU B 885 -5.938 7.138 7.331 1.00 0.00 C ATOM 0 H LEU B 885 -4.236 8.182 9.912 1.00 0.00 H new ATOM 0 HA LEU B 885 -3.991 8.820 7.172 1.00 0.00 H new ATOM 0 HB2 LEU B 885 -5.891 10.033 9.232 1.00 0.00 H new ATOM 0 HB3 LEU B 885 -6.143 9.949 7.500 1.00 0.00 H new ATOM 0 HG LEU B 885 -5.990 7.592 9.435 1.00 0.00 H new ATOM 0 HD11 LEU B 885 -8.323 7.226 8.648 1.00 0.00 H new ATOM 0 HD12 LEU B 885 -8.141 8.842 9.372 1.00 0.00 H new ATOM 0 HD13 LEU B 885 -8.192 8.661 7.602 1.00 0.00 H new ATOM 0 HD21 LEU B 885 -6.400 6.159 7.455 1.00 0.00 H new ATOM 0 HD22 LEU B 885 -6.278 7.583 6.396 1.00 0.00 H new ATOM 0 HD23 LEU B 885 -4.854 7.028 7.307 1.00 0.00 H new ATOM 1313 N ALA B 886 -2.827 10.998 9.201 1.00 0.00 N ATOM 1314 CA ALA B 886 -2.162 12.290 9.301 1.00 0.00 C ATOM 1315 C ALA B 886 -0.931 12.310 8.396 1.00 0.00 C ATOM 1316 O ALA B 886 -0.487 13.371 7.958 1.00 0.00 O ATOM 1317 CB ALA B 886 -1.746 12.550 10.750 1.00 0.00 C ATOM 0 H ALA B 886 -2.685 10.381 10.001 1.00 0.00 H new ATOM 0 HA ALA B 886 -2.852 13.072 8.983 1.00 0.00 H new ATOM 0 HB1 ALA B 886 -1.249 13.518 10.818 1.00 0.00 H new ATOM 0 HB2 ALA B 886 -2.630 12.550 11.388 1.00 0.00 H new ATOM 0 HB3 ALA B 886 -1.062 11.767 11.078 1.00 0.00 H new ATOM 1323 N SER B 887 -0.372 11.128 8.142 1.00 0.00 N ATOM 1324 CA SER B 887 0.825 11.013 7.310 1.00 0.00 C ATOM 1325 C SER B 887 0.475 10.914 5.827 1.00 0.00 C ATOM 1326 O SER B 887 1.353 11.002 4.969 1.00 0.00 O ATOM 1327 CB SER B 887 1.622 9.774 7.723 1.00 0.00 C ATOM 1328 OG SER B 887 1.126 8.643 7.020 1.00 0.00 O ATOM 0 H SER B 887 -0.726 10.240 8.498 1.00 0.00 H new ATOM 0 HA SER B 887 1.421 11.913 7.460 1.00 0.00 H new ATOM 0 HB2 SER B 887 2.680 9.918 7.504 1.00 0.00 H new ATOM 0 HB3 SER B 887 1.538 9.615 8.798 1.00 0.00 H new ATOM 0 HG SER B 887 0.187 8.496 7.258 1.00 0.00 H new ATOM 1334 N VAL B 888 -0.811 10.730 5.528 1.00 0.00 N ATOM 1335 CA VAL B 888 -1.264 10.616 4.143 1.00 0.00 C ATOM 1336 C VAL B 888 -2.600 11.327 3.968 1.00 0.00 C ATOM 1337 O VAL B 888 -3.086 12.000 4.876 1.00 0.00 O ATOM 1338 CB VAL B 888 -1.409 9.141 3.752 1.00 0.00 C ATOM 1339 CG1 VAL B 888 -0.024 8.526 3.541 1.00 0.00 C ATOM 1340 CG2 VAL B 888 -2.137 8.385 4.865 1.00 0.00 C ATOM 0 H VAL B 888 -1.554 10.657 6.223 1.00 0.00 H new ATOM 0 HA VAL B 888 -0.522 11.084 3.496 1.00 0.00 H new ATOM 0 HB VAL B 888 -1.982 9.069 2.828 1.00 0.00 H new ATOM 0 HG11 VAL B 888 -0.130 7.477 3.263 1.00 0.00 H new ATOM 0 HG12 VAL B 888 0.495 9.061 2.746 1.00 0.00 H new ATOM 0 HG13 VAL B 888 0.552 8.600 4.464 1.00 0.00 H new ATOM 0 HG21 VAL B 888 -2.239 7.336 4.586 1.00 0.00 H new ATOM 0 HG22 VAL B 888 -1.565 8.460 5.790 1.00 0.00 H new ATOM 0 HG23 VAL B 888 -3.126 8.819 5.013 1.00 0.00 H new ATOM 1350 N VAL B 889 -3.187 11.162 2.789 1.00 0.00 N ATOM 1351 CA VAL B 889 -4.476 11.775 2.472 1.00 0.00 C ATOM 1352 C VAL B 889 -5.334 10.809 1.667 1.00 0.00 C ATOM 1353 O VAL B 889 -4.966 10.393 0.569 1.00 0.00 O ATOM 1354 CB VAL B 889 -4.256 13.061 1.675 1.00 0.00 C ATOM 1355 CG1 VAL B 889 -5.544 13.885 1.661 1.00 0.00 C ATOM 1356 CG2 VAL B 889 -3.136 13.875 2.328 1.00 0.00 C ATOM 0 H VAL B 889 -2.790 10.606 2.031 1.00 0.00 H new ATOM 0 HA VAL B 889 -4.992 12.012 3.402 1.00 0.00 H new ATOM 0 HB VAL B 889 -3.978 12.811 0.651 1.00 0.00 H new ATOM 0 HG11 VAL B 889 -5.384 14.801 1.092 1.00 0.00 H new ATOM 0 HG12 VAL B 889 -6.342 13.305 1.198 1.00 0.00 H new ATOM 0 HG13 VAL B 889 -5.826 14.137 2.683 1.00 0.00 H new ATOM 0 HG21 VAL B 889 -2.976 14.793 1.762 1.00 0.00 H new ATOM 0 HG22 VAL B 889 -3.416 14.124 3.352 1.00 0.00 H new ATOM 0 HG23 VAL B 889 -2.217 13.289 2.336 1.00 0.00 H new ATOM 1366 N LEU B 890 -6.485 10.463 2.229 1.00 0.00 N ATOM 1367 CA LEU B 890 -7.412 9.552 1.575 1.00 0.00 C ATOM 1368 C LEU B 890 -8.141 10.272 0.435 1.00 0.00 C ATOM 1369 O LEU B 890 -8.369 11.478 0.514 1.00 0.00 O ATOM 1370 CB LEU B 890 -8.435 9.062 2.599 1.00 0.00 C ATOM 1371 CG LEU B 890 -7.723 8.343 3.751 1.00 0.00 C ATOM 1372 CD1 LEU B 890 -8.730 8.079 4.876 1.00 0.00 C ATOM 1373 CD2 LEU B 890 -7.126 7.010 3.264 1.00 0.00 C ATOM 0 H LEU B 890 -6.798 10.801 3.139 1.00 0.00 H new ATOM 0 HA LEU B 890 -6.858 8.707 1.165 1.00 0.00 H new ATOM 0 HB2 LEU B 890 -9.008 9.905 2.985 1.00 0.00 H new ATOM 0 HB3 LEU B 890 -9.145 8.386 2.121 1.00 0.00 H new ATOM 0 HG LEU B 890 -6.913 8.972 4.120 1.00 0.00 H new ATOM 0 HD11 LEU B 890 -8.230 7.568 5.699 1.00 0.00 H new ATOM 0 HD12 LEU B 890 -9.136 9.026 5.231 1.00 0.00 H new ATOM 0 HD13 LEU B 890 -9.541 7.455 4.500 1.00 0.00 H new ATOM 0 HD21 LEU B 890 -6.624 6.512 4.093 1.00 0.00 H new ATOM 0 HD22 LEU B 890 -7.924 6.371 2.886 1.00 0.00 H new ATOM 0 HD23 LEU B 890 -6.407 7.203 2.468 1.00 0.00 H new