USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 832 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 556 CYS SG : rot -152:sc= 0.23 USER MOD Set 1.2: A 559 CYS SG : rot 13:sc= -18.5! USER MOD Set 1.3: A 612 CYS SG : rot -154:sc= -1.47 USER MOD Set 1.4: A 615 CYS SG : rot 27:sc= -25.3! USER MOD Set 1.5: A 637 SER OG : rot 31:sc= 0.0208 USER MOD Set 2.1: A 588 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 622 GLN : amide:sc= -2.54 K(o=-2.5,f=-7.9!) USER MOD Set 3.1: A 585 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 586 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 546 GLN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 551 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-3.5!) USER MOD Single : A 553 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.34) USER MOD Single : A 558 ASN : amide:sc= -2.61 K(o=-2.6,f=-3.4) USER MOD Single : A 560 MET CE :methyl -139:sc= -2.55 (180deg=-8.11!) USER MOD Single : A 565 HIS : no HD1:sc= -0.763 K(o=-0.76,f=-1.7) USER MOD Single : A 567 SER OG : rot 180:sc= 0 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot -176:sc= 1.05 USER MOD Single : A 576 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-1.9!) USER MOD Single : A 577 HIS : no HD1:sc= -3.99! C(o=-4!,f=-3.8!) USER MOD Single : A 579 ASN : amide:sc= -13.4! C(o=-13!,f=-15!) USER MOD Single : A 581 ASN : amide:sc= -4.3! C(o=-4.3!,f=-7.8!) USER MOD Single : A 583 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 587 TYR OH : rot 180:sc= 0 USER MOD Single : A 589 ASN :FLIP amide:sc= -0.521 F(o=-1.6,f=-0.52) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 44:sc= 0.0385 USER MOD Single : A 614 ASN :FLIP amide:sc= -2.49 F(o=-4.2!,f=-2.5) USER MOD Single : A 623 MET CE :methyl -122:sc= 0 (180deg=-0.347) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ -120:sc= -0.364 (180deg=-0.904) USER MOD Single : A 627 SER OG : rot -82:sc= 0.443 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ -119:sc= -5.03! (180deg=-7.39!) USER MOD Single : A 638 MET CE :methyl -158:sc= -9.29! (180deg=-9.89!) USER MOD Single : A 642 THR OG1 : rot -90:sc= 0.824 USER MOD Single : A 644 GLN :FLIP amide:sc= -2.29! C(o=-3.4!,f=-2.3!) USER MOD Single : A 648 GLN :FLIP amide:sc= -1.6 F(o=-3.5!,f=-1.6) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 5.238 -6.531 2.993 1.00 22.20 N ATOM 57 CA GLN A 546 5.951 -7.153 4.096 1.00 3.30 C ATOM 58 C GLN A 546 4.972 -7.557 5.200 1.00 25.03 C ATOM 59 O GLN A 546 4.035 -6.821 5.503 1.00 35.23 O ATOM 60 CB GLN A 546 7.038 -6.223 4.640 1.00 53.21 C ATOM 61 CG GLN A 546 8.307 -6.306 3.789 1.00 14.41 C ATOM 62 CD GLN A 546 9.065 -4.976 3.804 1.00 35.52 C ATOM 63 OE1 GLN A 546 9.554 -4.500 2.793 1.00 1.13 O ATOM 64 NE2 GLN A 546 9.134 -4.407 5.004 1.00 55.31 N ATOM 0 HA GLN A 546 6.441 -8.053 3.725 1.00 3.30 H new ATOM 0 HB2 GLN A 546 6.671 -5.197 4.653 1.00 53.21 H new ATOM 0 HB3 GLN A 546 7.269 -6.492 5.671 1.00 53.21 H new ATOM 0 HG2 GLN A 546 8.951 -7.100 4.167 1.00 14.41 H new ATOM 0 HG3 GLN A 546 8.045 -6.568 2.764 1.00 14.41 H new ATOM 0 HE21 GLN A 546 8.702 -4.860 5.809 1.00 55.31 H new ATOM 0 HE22 GLN A 546 9.619 -3.517 5.119 1.00 55.31 H new ATOM 73 N PHE A 547 5.224 -8.726 5.772 1.00 44.54 N ATOM 74 CA PHE A 547 4.377 -9.236 6.836 1.00 61.52 C ATOM 75 C PHE A 547 5.159 -10.176 7.756 1.00 70.32 C ATOM 76 O PHE A 547 5.341 -11.351 7.440 1.00 42.25 O ATOM 77 CB PHE A 547 3.245 -10.020 6.169 1.00 61.33 C ATOM 78 CG PHE A 547 2.836 -9.478 4.798 1.00 43.32 C ATOM 79 CD1 PHE A 547 3.712 -9.527 3.758 1.00 32.12 C ATOM 80 CD2 PHE A 547 1.597 -8.946 4.619 1.00 45.12 C ATOM 81 CE1 PHE A 547 3.332 -9.023 2.486 1.00 64.51 C ATOM 82 CE2 PHE A 547 1.218 -8.442 3.346 1.00 20.25 C ATOM 83 CZ PHE A 547 2.094 -8.492 2.307 1.00 54.41 C ATOM 0 H PHE A 547 6.003 -9.334 5.518 1.00 44.54 H new ATOM 0 HA PHE A 547 4.000 -8.411 7.440 1.00 61.52 H new ATOM 0 HB2 PHE A 547 3.552 -11.060 6.060 1.00 61.33 H new ATOM 0 HB3 PHE A 547 2.375 -10.012 6.826 1.00 61.33 H new ATOM 0 HD1 PHE A 547 4.696 -9.949 3.900 1.00 32.12 H new ATOM 0 HD2 PHE A 547 0.902 -8.907 5.444 1.00 45.12 H new ATOM 0 HE1 PHE A 547 4.027 -9.062 1.660 1.00 64.51 H new ATOM 0 HE2 PHE A 547 0.234 -8.019 3.203 1.00 20.25 H new ATOM 0 HZ PHE A 547 1.806 -8.109 1.339 1.00 54.41 H new ATOM 93 N PRO A 548 5.612 -9.609 8.906 1.00 32.20 N ATOM 94 CA PRO A 548 6.370 -10.383 9.874 1.00 31.32 C ATOM 95 C PRO A 548 5.456 -11.327 10.658 1.00 13.25 C ATOM 96 O PRO A 548 4.337 -10.960 11.013 1.00 35.11 O ATOM 97 CB PRO A 548 7.054 -9.350 10.755 1.00 72.40 C ATOM 98 CG PRO A 548 6.291 -8.052 10.544 1.00 23.42 C ATOM 99 CD PRO A 548 5.415 -8.221 9.314 1.00 71.21 C ATOM 0 HA PRO A 548 7.106 -11.037 9.406 1.00 31.32 H new ATOM 0 HB2 PRO A 548 7.029 -9.652 11.802 1.00 72.40 H new ATOM 0 HB3 PRO A 548 8.103 -9.236 10.481 1.00 72.40 H new ATOM 0 HG2 PRO A 548 5.682 -7.821 11.418 1.00 23.42 H new ATOM 0 HG3 PRO A 548 6.983 -7.220 10.409 1.00 23.42 H new ATOM 0 HD2 PRO A 548 4.368 -8.020 9.543 1.00 71.21 H new ATOM 0 HD3 PRO A 548 5.706 -7.531 8.523 1.00 71.21 H new ATOM 107 N VAL A 549 5.967 -12.524 10.906 1.00 12.24 N ATOM 108 CA VAL A 549 5.211 -13.523 11.642 1.00 15.33 C ATOM 109 C VAL A 549 4.717 -12.916 12.957 1.00 4.05 C ATOM 110 O VAL A 549 3.550 -13.067 13.316 1.00 44.53 O ATOM 111 CB VAL A 549 6.061 -14.778 11.845 1.00 72.41 C ATOM 112 CG1 VAL A 549 6.417 -15.422 10.503 1.00 11.23 C ATOM 113 CG2 VAL A 549 7.321 -14.463 12.653 1.00 12.24 C ATOM 0 H VAL A 549 6.896 -12.825 10.610 1.00 12.24 H new ATOM 0 HA VAL A 549 4.332 -13.831 11.075 1.00 15.33 H new ATOM 0 HB VAL A 549 5.469 -15.495 12.414 1.00 72.41 H new ATOM 0 HG11 VAL A 549 7.022 -16.312 10.676 1.00 11.23 H new ATOM 0 HG12 VAL A 549 5.503 -15.700 9.979 1.00 11.23 H new ATOM 0 HG13 VAL A 549 6.981 -14.713 9.897 1.00 11.23 H new ATOM 0 HG21 VAL A 549 7.907 -15.373 12.783 1.00 12.24 H new ATOM 0 HG22 VAL A 549 7.917 -13.720 12.123 1.00 12.24 H new ATOM 0 HG23 VAL A 549 7.038 -14.071 13.630 1.00 12.24 H new ATOM 123 N GLU A 550 5.631 -12.243 13.641 1.00 43.10 N ATOM 124 CA GLU A 550 5.304 -11.613 14.909 1.00 40.33 C ATOM 125 C GLU A 550 4.097 -10.686 14.745 1.00 23.42 C ATOM 126 O GLU A 550 3.390 -10.407 15.712 1.00 54.34 O ATOM 127 CB GLU A 550 6.507 -10.852 15.470 1.00 61.04 C ATOM 128 CG GLU A 550 7.162 -9.988 14.390 1.00 73.13 C ATOM 129 CD GLU A 550 7.946 -8.832 15.013 1.00 23.03 C ATOM 130 OE1 GLU A 550 9.088 -9.026 15.457 1.00 51.42 O ATOM 131 OE2 GLU A 550 7.329 -7.699 15.027 1.00 65.13 O ATOM 0 H GLU A 550 6.598 -12.120 13.341 1.00 43.10 H new ATOM 0 HA GLU A 550 5.044 -12.394 15.624 1.00 40.33 H new ATOM 0 HB2 GLU A 550 6.188 -10.222 16.301 1.00 61.04 H new ATOM 0 HB3 GLU A 550 7.236 -11.559 15.867 1.00 61.04 H new ATOM 0 HG2 GLU A 550 7.830 -10.601 13.785 1.00 73.13 H new ATOM 0 HG3 GLU A 550 6.397 -9.594 13.721 1.00 73.13 H new ATOM 139 N HIS A 551 3.900 -10.236 13.515 1.00 73.11 N ATOM 140 CA HIS A 551 2.791 -9.347 13.212 1.00 32.15 C ATOM 141 C HIS A 551 1.643 -10.150 12.597 1.00 12.31 C ATOM 142 O HIS A 551 0.485 -9.741 12.672 1.00 70.22 O ATOM 143 CB HIS A 551 3.249 -8.190 12.322 1.00 23.25 C ATOM 144 CG HIS A 551 4.060 -7.142 13.047 1.00 62.22 C ATOM 145 ND1 HIS A 551 4.461 -5.960 12.450 1.00 11.50 N ATOM 146 CD2 HIS A 551 4.540 -7.111 14.323 1.00 33.23 C ATOM 147 CE1 HIS A 551 5.151 -5.257 13.336 1.00 15.43 C ATOM 148 NE2 HIS A 551 5.199 -5.972 14.496 1.00 33.25 N ATOM 0 H HIS A 551 4.489 -10.470 12.716 1.00 73.11 H new ATOM 0 HA HIS A 551 2.420 -8.896 14.132 1.00 32.15 H new ATOM 0 HB2 HIS A 551 3.843 -8.590 11.500 1.00 23.25 H new ATOM 0 HB3 HIS A 551 2.373 -7.716 11.881 1.00 23.25 H new ATOM 0 HD2 HIS A 551 4.407 -7.883 15.067 1.00 33.23 H new ATOM 0 HE1 HIS A 551 5.597 -4.288 13.169 1.00 15.43 H new ATOM 0 HE2 HIS A 551 5.665 -5.680 15.355 1.00 33.25 H new ATOM 156 N VAL A 552 2.004 -11.277 12.003 1.00 72.43 N ATOM 157 CA VAL A 552 1.018 -12.141 11.375 1.00 64.23 C ATOM 158 C VAL A 552 0.524 -13.169 12.394 1.00 22.33 C ATOM 159 O VAL A 552 1.304 -13.979 12.893 1.00 64.23 O ATOM 160 CB VAL A 552 1.610 -12.782 10.118 1.00 71.43 C ATOM 161 CG1 VAL A 552 0.597 -13.714 9.449 1.00 23.44 C ATOM 162 CG2 VAL A 552 2.103 -11.715 9.138 1.00 20.42 C ATOM 0 H VAL A 552 2.965 -11.613 11.943 1.00 72.43 H new ATOM 0 HA VAL A 552 0.153 -11.562 11.052 1.00 64.23 H new ATOM 0 HB VAL A 552 2.469 -13.381 10.421 1.00 71.43 H new ATOM 0 HG11 VAL A 552 1.043 -14.157 8.558 1.00 23.44 H new ATOM 0 HG12 VAL A 552 0.315 -14.504 10.145 1.00 23.44 H new ATOM 0 HG13 VAL A 552 -0.289 -13.146 9.167 1.00 23.44 H new ATOM 0 HG21 VAL A 552 2.519 -12.198 8.254 1.00 20.42 H new ATOM 0 HG22 VAL A 552 1.269 -11.077 8.845 1.00 20.42 H new ATOM 0 HG23 VAL A 552 2.873 -11.109 9.616 1.00 20.42 H new ATOM 172 N GLN A 553 -0.769 -13.103 12.674 1.00 32.31 N ATOM 173 CA GLN A 553 -1.377 -14.018 13.625 1.00 23.43 C ATOM 174 C GLN A 553 -2.085 -15.157 12.888 1.00 23.24 C ATOM 175 O GLN A 553 -2.267 -15.096 11.673 1.00 22.54 O ATOM 176 CB GLN A 553 -2.344 -13.282 14.554 1.00 2.40 C ATOM 177 CG GLN A 553 -2.704 -14.143 15.766 1.00 24.12 C ATOM 178 CD GLN A 553 -3.251 -13.283 16.907 1.00 73.01 C ATOM 179 OE1 GLN A 553 -2.860 -13.407 18.056 1.00 65.23 O ATOM 180 NE2 GLN A 553 -4.176 -12.406 16.527 1.00 35.33 N ATOM 0 H GLN A 553 -1.413 -12.430 12.259 1.00 32.31 H new ATOM 0 HA GLN A 553 -0.587 -14.446 14.242 1.00 23.43 H new ATOM 0 HB2 GLN A 553 -1.892 -12.348 14.888 1.00 2.40 H new ATOM 0 HB3 GLN A 553 -3.250 -13.020 14.008 1.00 2.40 H new ATOM 0 HG2 GLN A 553 -3.446 -14.888 15.480 1.00 24.12 H new ATOM 0 HG3 GLN A 553 -1.822 -14.686 16.106 1.00 24.12 H new ATOM 0 HE21 GLN A 553 -4.458 -12.354 15.548 1.00 35.33 H new ATOM 0 HE22 GLN A 553 -4.603 -11.785 17.214 1.00 35.33 H new ATOM 189 N LEU A 554 -2.465 -16.169 13.655 1.00 64.15 N ATOM 190 CA LEU A 554 -3.149 -17.320 13.090 1.00 45.05 C ATOM 191 C LEU A 554 -4.618 -17.294 13.516 1.00 62.54 C ATOM 192 O LEU A 554 -4.935 -17.537 14.679 1.00 4.42 O ATOM 193 CB LEU A 554 -2.422 -18.613 13.465 1.00 4.21 C ATOM 194 CG LEU A 554 -1.218 -18.982 12.596 1.00 60.33 C ATOM 195 CD1 LEU A 554 -1.038 -20.500 12.525 1.00 52.02 C ATOM 196 CD2 LEU A 554 -1.332 -18.353 11.206 1.00 62.13 C ATOM 0 H LEU A 554 -2.312 -16.216 14.662 1.00 64.15 H new ATOM 0 HA LEU A 554 -3.132 -17.277 12.001 1.00 45.05 H new ATOM 0 HB2 LEU A 554 -2.087 -18.531 14.499 1.00 4.21 H new ATOM 0 HB3 LEU A 554 -3.138 -19.434 13.426 1.00 4.21 H new ATOM 0 HG LEU A 554 -0.322 -18.573 13.062 1.00 60.33 H new ATOM 0 HD11 LEU A 554 -0.176 -20.735 11.901 1.00 52.02 H new ATOM 0 HD12 LEU A 554 -0.879 -20.895 13.528 1.00 52.02 H new ATOM 0 HD13 LEU A 554 -1.931 -20.953 12.095 1.00 52.02 H new ATOM 0 HD21 LEU A 554 -0.464 -18.631 10.609 1.00 62.13 H new ATOM 0 HD22 LEU A 554 -2.238 -18.711 10.718 1.00 62.13 H new ATOM 0 HD23 LEU A 554 -1.375 -17.268 11.300 1.00 62.13 H new ATOM 208 N LEU A 555 -5.476 -16.999 12.550 1.00 23.12 N ATOM 209 CA LEU A 555 -6.904 -16.939 12.811 1.00 41.22 C ATOM 210 C LEU A 555 -7.627 -17.930 11.897 1.00 60.13 C ATOM 211 O LEU A 555 -7.037 -18.561 11.020 1.00 1.22 O ATOM 212 CB LEU A 555 -7.412 -15.501 12.683 1.00 63.22 C ATOM 213 CG LEU A 555 -6.519 -14.418 13.291 1.00 3.21 C ATOM 214 CD1 LEU A 555 -5.159 -14.371 12.591 1.00 54.33 C ATOM 215 CD2 LEU A 555 -7.219 -13.058 13.276 1.00 50.44 C ATOM 0 H LEU A 555 -5.210 -16.799 11.586 1.00 23.12 H new ATOM 0 HA LEU A 555 -7.117 -17.238 13.837 1.00 41.22 H new ATOM 0 HB2 LEU A 555 -7.550 -15.278 11.625 1.00 63.22 H new ATOM 0 HB3 LEU A 555 -8.394 -15.440 13.152 1.00 63.22 H new ATOM 0 HG LEU A 555 -6.335 -14.674 14.334 1.00 3.21 H new ATOM 0 HD11 LEU A 555 -4.544 -13.593 13.043 1.00 54.33 H new ATOM 0 HD12 LEU A 555 -4.661 -15.335 12.698 1.00 54.33 H new ATOM 0 HD13 LEU A 555 -5.302 -14.152 11.533 1.00 54.33 H new ATOM 0 HD21 LEU A 555 -6.562 -12.306 13.714 1.00 50.44 H new ATOM 0 HD22 LEU A 555 -7.454 -12.781 12.248 1.00 50.44 H new ATOM 0 HD23 LEU A 555 -8.140 -13.117 13.855 1.00 50.44 H new ATOM 227 N CYS A 556 -8.931 -18.054 12.123 1.00 72.51 N ATOM 228 CA CYS A 556 -9.761 -18.959 11.337 1.00 20.51 C ATOM 229 C CYS A 556 -10.663 -18.182 10.383 1.00 11.43 C ATOM 230 O CYS A 556 -11.609 -17.540 10.838 1.00 2.03 O ATOM 231 CB CYS A 556 -10.611 -19.836 12.259 1.00 63.12 C ATOM 232 SG CYS A 556 -11.112 -21.424 11.519 1.00 33.13 S ATOM 0 H CYS A 556 -9.436 -17.539 12.844 1.00 72.51 H new ATOM 0 HA CYS A 556 -9.101 -19.595 10.747 1.00 20.51 H new ATOM 0 HB2 CYS A 556 -10.051 -20.034 13.173 1.00 63.12 H new ATOM 0 HB3 CYS A 556 -11.505 -19.283 12.546 1.00 63.12 H new ATOM 0 HG CYS A 556 -12.228 -21.820 12.055 1.00 33.13 H new ATOM 237 N ILE A 557 -10.355 -18.254 9.097 1.00 41.22 N ATOM 238 CA ILE A 557 -11.144 -17.553 8.098 1.00 43.12 C ATOM 239 C ILE A 557 -12.615 -17.560 8.519 1.00 44.12 C ATOM 240 O ILE A 557 -13.349 -16.615 8.236 1.00 13.33 O ATOM 241 CB ILE A 557 -10.899 -18.146 6.709 1.00 63.11 C ATOM 242 CG1 ILE A 557 -11.918 -19.243 6.394 1.00 64.13 C ATOM 243 CG2 ILE A 557 -9.459 -18.645 6.572 1.00 43.31 C ATOM 244 CD1 ILE A 557 -11.682 -19.826 4.999 1.00 62.02 C ATOM 0 H ILE A 557 -9.570 -18.787 8.723 1.00 41.22 H new ATOM 0 HA ILE A 557 -10.836 -16.510 8.033 1.00 43.12 H new ATOM 0 HB ILE A 557 -11.038 -17.356 5.971 1.00 63.11 H new ATOM 0 HG12 ILE A 557 -11.848 -20.035 7.140 1.00 64.13 H new ATOM 0 HG13 ILE A 557 -12.927 -18.836 6.456 1.00 64.13 H new ATOM 0 HG21 ILE A 557 -9.312 -19.062 5.576 1.00 43.31 H new ATOM 0 HG22 ILE A 557 -8.770 -17.814 6.724 1.00 43.31 H new ATOM 0 HG23 ILE A 557 -9.268 -19.415 7.319 1.00 43.31 H new ATOM 0 HD11 ILE A 557 -12.420 -20.604 4.800 1.00 62.02 H new ATOM 0 HD12 ILE A 557 -11.777 -19.036 4.254 1.00 62.02 H new ATOM 0 HD13 ILE A 557 -10.681 -20.254 4.948 1.00 62.02 H new ATOM 256 N ASN A 558 -13.001 -18.637 9.187 1.00 5.45 N ATOM 257 CA ASN A 558 -14.371 -18.779 9.650 1.00 24.12 C ATOM 258 C ASN A 558 -14.525 -18.073 10.999 1.00 63.50 C ATOM 259 O ASN A 558 -15.227 -17.069 11.101 1.00 1.33 O ATOM 260 CB ASN A 558 -14.736 -20.252 9.843 1.00 75.13 C ATOM 261 CG ASN A 558 -15.306 -20.849 8.554 1.00 42.41 C ATOM 262 OD1 ASN A 558 -14.964 -20.452 7.452 1.00 70.11 O ATOM 263 ND2 ASN A 558 -16.191 -21.821 8.753 1.00 61.11 N ATOM 0 H ASN A 558 -12.389 -19.419 9.419 1.00 5.45 H new ATOM 0 HA ASN A 558 -15.028 -18.339 8.900 1.00 24.12 H new ATOM 0 HB2 ASN A 558 -13.852 -20.812 10.148 1.00 75.13 H new ATOM 0 HB3 ASN A 558 -15.467 -20.347 10.646 1.00 75.13 H new ATOM 0 HD21 ASN A 558 -16.629 -22.283 7.956 1.00 61.11 H new ATOM 0 HD22 ASN A 558 -16.432 -22.105 9.703 1.00 61.11 H new ATOM 270 N CYS A 559 -13.857 -18.627 12.000 1.00 21.42 N ATOM 271 CA CYS A 559 -13.911 -18.064 13.338 1.00 1.34 C ATOM 272 C CYS A 559 -13.283 -16.669 13.298 1.00 71.11 C ATOM 273 O CYS A 559 -13.963 -15.671 13.533 1.00 21.43 O ATOM 274 CB CYS A 559 -13.223 -18.970 14.362 1.00 53.41 C ATOM 275 SG CYS A 559 -13.536 -20.758 14.136 1.00 64.55 S ATOM 0 H CYS A 559 -13.275 -19.460 11.911 1.00 21.42 H new ATOM 0 HA CYS A 559 -14.949 -17.985 13.660 1.00 1.34 H new ATOM 0 HB2 CYS A 559 -12.148 -18.795 14.317 1.00 53.41 H new ATOM 0 HB3 CYS A 559 -13.551 -18.681 15.360 1.00 53.41 H new ATOM 0 HG CYS A 559 -14.075 -20.960 12.971 1.00 64.55 H new ATOM 280 N MET A 560 -11.993 -16.644 12.998 1.00 61.34 N ATOM 281 CA MET A 560 -11.266 -15.388 12.923 1.00 22.51 C ATOM 282 C MET A 560 -11.125 -14.754 14.308 1.00 4.31 C ATOM 283 O MET A 560 -11.284 -13.544 14.460 1.00 53.45 O ATOM 284 CB MET A 560 -12.005 -14.425 11.993 1.00 50.23 C ATOM 285 CG MET A 560 -11.405 -14.452 10.586 1.00 64.44 C ATOM 286 SD MET A 560 -12.424 -13.504 9.468 1.00 22.33 S ATOM 287 CE MET A 560 -13.974 -14.370 9.653 1.00 50.22 C ATOM 0 H MET A 560 -11.432 -17.474 12.804 1.00 61.34 H new ATOM 0 HA MET A 560 -10.268 -15.589 12.533 1.00 22.51 H new ATOM 0 HB2 MET A 560 -13.060 -14.696 11.947 1.00 50.23 H new ATOM 0 HB3 MET A 560 -11.952 -13.413 12.395 1.00 50.23 H new ATOM 0 HG2 MET A 560 -10.395 -14.043 10.605 1.00 64.44 H new ATOM 0 HG3 MET A 560 -11.326 -15.481 10.235 1.00 64.44 H new ATOM 0 HE1 MET A 560 -14.451 -14.475 8.678 1.00 50.22 H new ATOM 0 HE2 MET A 560 -13.791 -15.358 10.076 1.00 50.22 H new ATOM 0 HE3 MET A 560 -14.628 -13.807 10.318 1.00 50.22 H new ATOM 297 N VAL A 561 -10.827 -15.599 15.284 1.00 64.22 N ATOM 298 CA VAL A 561 -10.662 -15.136 16.651 1.00 30.02 C ATOM 299 C VAL A 561 -9.221 -15.386 17.100 1.00 61.51 C ATOM 300 O VAL A 561 -8.904 -15.260 18.282 1.00 72.42 O ATOM 301 CB VAL A 561 -11.696 -15.806 17.559 1.00 63.14 C ATOM 302 CG1 VAL A 561 -12.974 -16.134 16.785 1.00 52.23 C ATOM 303 CG2 VAL A 561 -11.117 -17.060 18.217 1.00 45.11 C ATOM 0 H VAL A 561 -10.696 -16.602 15.155 1.00 64.22 H new ATOM 0 HA VAL A 561 -10.840 -14.063 16.714 1.00 30.02 H new ATOM 0 HB VAL A 561 -11.954 -15.101 18.350 1.00 63.14 H new ATOM 0 HG11 VAL A 561 -13.692 -16.609 17.453 1.00 52.23 H new ATOM 0 HG12 VAL A 561 -13.403 -15.215 16.385 1.00 52.23 H new ATOM 0 HG13 VAL A 561 -12.739 -16.812 15.964 1.00 52.23 H new ATOM 0 HG21 VAL A 561 -11.872 -17.517 18.857 1.00 45.11 H new ATOM 0 HG22 VAL A 561 -10.817 -17.770 17.446 1.00 45.11 H new ATOM 0 HG23 VAL A 561 -10.249 -16.788 18.817 1.00 45.11 H new ATOM 313 N ALA A 562 -8.386 -15.737 16.133 1.00 51.24 N ATOM 314 CA ALA A 562 -6.986 -16.006 16.413 1.00 31.02 C ATOM 315 C ALA A 562 -6.877 -17.255 17.290 1.00 33.11 C ATOM 316 O ALA A 562 -7.236 -17.226 18.466 1.00 15.51 O ATOM 317 CB ALA A 562 -6.351 -14.777 17.067 1.00 21.42 C ATOM 0 H ALA A 562 -8.653 -15.841 15.154 1.00 51.24 H new ATOM 0 HA ALA A 562 -6.441 -16.203 15.490 1.00 31.02 H new ATOM 0 HB1 ALA A 562 -5.301 -14.979 17.277 1.00 21.42 H new ATOM 0 HB2 ALA A 562 -6.429 -13.925 16.392 1.00 21.42 H new ATOM 0 HB3 ALA A 562 -6.870 -14.551 17.998 1.00 21.42 H new ATOM 323 N VAL A 563 -6.380 -18.323 16.684 1.00 72.21 N ATOM 324 CA VAL A 563 -6.220 -19.580 17.395 1.00 64.22 C ATOM 325 C VAL A 563 -4.745 -19.774 17.753 1.00 2.42 C ATOM 326 O VAL A 563 -4.405 -20.652 18.544 1.00 5.24 O ATOM 327 CB VAL A 563 -6.788 -20.730 16.560 1.00 3.21 C ATOM 328 CG1 VAL A 563 -8.297 -20.866 16.771 1.00 61.55 C ATOM 329 CG2 VAL A 563 -6.455 -20.548 15.078 1.00 41.31 C ATOM 0 H VAL A 563 -6.083 -18.344 15.708 1.00 72.21 H new ATOM 0 HA VAL A 563 -6.783 -19.565 18.328 1.00 64.22 H new ATOM 0 HB VAL A 563 -6.318 -21.654 16.897 1.00 3.21 H new ATOM 0 HG11 VAL A 563 -8.676 -21.690 16.167 1.00 61.55 H new ATOM 0 HG12 VAL A 563 -8.501 -21.064 17.823 1.00 61.55 H new ATOM 0 HG13 VAL A 563 -8.791 -19.941 16.474 1.00 61.55 H new ATOM 0 HG21 VAL A 563 -6.870 -21.379 14.507 1.00 41.31 H new ATOM 0 HG22 VAL A 563 -6.884 -19.612 14.721 1.00 41.31 H new ATOM 0 HG23 VAL A 563 -5.373 -20.524 14.949 1.00 41.31 H new ATOM 339 N GLY A 564 -3.909 -18.939 17.154 1.00 43.24 N ATOM 340 CA GLY A 564 -2.478 -19.007 17.400 1.00 53.14 C ATOM 341 C GLY A 564 -1.769 -17.765 16.857 1.00 2.40 C ATOM 342 O GLY A 564 -2.298 -16.657 16.941 1.00 65.22 O ATOM 0 H GLY A 564 -4.195 -18.212 16.499 1.00 43.24 H new ATOM 0 HA2 GLY A 564 -2.293 -19.097 18.470 1.00 53.14 H new ATOM 0 HA3 GLY A 564 -2.066 -19.900 16.930 1.00 53.14 H new ATOM 346 N HIS A 565 -0.582 -17.990 16.313 1.00 72.43 N ATOM 347 CA HIS A 565 0.205 -16.903 15.756 1.00 21.24 C ATOM 348 C HIS A 565 1.083 -17.434 14.621 1.00 1.14 C ATOM 349 O HIS A 565 1.410 -18.619 14.587 1.00 64.01 O ATOM 350 CB HIS A 565 1.011 -16.201 16.851 1.00 62.01 C ATOM 351 CG HIS A 565 1.044 -14.697 16.721 1.00 54.15 C ATOM 352 ND1 HIS A 565 1.690 -14.048 15.683 1.00 24.03 N ATOM 353 CD2 HIS A 565 0.502 -13.722 17.506 1.00 30.32 C ATOM 354 CE1 HIS A 565 1.539 -12.742 15.848 1.00 64.21 C ATOM 355 NE2 HIS A 565 0.803 -12.542 16.978 1.00 30.35 N ATOM 0 H HIS A 565 -0.146 -18.910 16.246 1.00 72.43 H new ATOM 0 HA HIS A 565 -0.458 -16.148 15.332 1.00 21.24 H new ATOM 0 HB2 HIS A 565 0.590 -16.462 17.822 1.00 62.01 H new ATOM 0 HB3 HIS A 565 2.033 -16.579 16.835 1.00 62.01 H new ATOM 0 HD2 HIS A 565 -0.074 -13.883 18.405 1.00 30.32 H new ATOM 0 HE1 HIS A 565 1.930 -11.971 15.201 1.00 64.21 H new ATOM 0 HE2 HIS A 565 0.529 -11.635 17.356 1.00 30.35 H new ATOM 363 N GLY A 566 1.440 -16.530 13.720 1.00 35.42 N ATOM 364 CA GLY A 566 2.273 -16.893 12.587 1.00 42.55 C ATOM 365 C GLY A 566 3.725 -17.105 13.019 1.00 3.24 C ATOM 366 O GLY A 566 4.533 -17.634 12.258 1.00 71.35 O ATOM 0 H GLY A 566 1.167 -15.548 13.752 1.00 35.42 H new ATOM 0 HA2 GLY A 566 1.890 -17.804 12.127 1.00 42.55 H new ATOM 0 HA3 GLY A 566 2.226 -16.110 11.831 1.00 42.55 H new ATOM 370 N SER A 567 4.013 -16.681 14.241 1.00 0.22 N ATOM 371 CA SER A 567 5.354 -16.818 14.785 1.00 53.24 C ATOM 372 C SER A 567 5.370 -17.893 15.873 1.00 13.22 C ATOM 373 O SER A 567 6.338 -18.008 16.623 1.00 63.24 O ATOM 374 CB SER A 567 5.859 -15.487 15.345 1.00 23.13 C ATOM 375 OG SER A 567 5.538 -15.332 16.725 1.00 72.50 O ATOM 0 H SER A 567 3.341 -16.242 14.870 1.00 0.22 H new ATOM 0 HA SER A 567 6.022 -17.118 13.978 1.00 53.24 H new ATOM 0 HB2 SER A 567 6.939 -15.426 15.215 1.00 23.13 H new ATOM 0 HB3 SER A 567 5.422 -14.666 14.777 1.00 23.13 H new ATOM 0 HG SER A 567 5.879 -14.471 17.045 1.00 72.50 H new ATOM 381 N ASP A 568 4.286 -18.653 15.926 1.00 55.42 N ATOM 382 CA ASP A 568 4.163 -19.714 16.910 1.00 33.32 C ATOM 383 C ASP A 568 4.178 -21.068 16.198 1.00 31.40 C ATOM 384 O ASP A 568 4.665 -22.056 16.746 1.00 60.35 O ATOM 385 CB ASP A 568 2.846 -19.601 17.681 1.00 3.45 C ATOM 386 CG ASP A 568 2.667 -18.299 18.466 1.00 71.30 C ATOM 387 OD1 ASP A 568 1.604 -18.049 19.054 1.00 70.24 O ATOM 388 OD2 ASP A 568 3.690 -17.513 18.459 1.00 33.23 O ATOM 0 H ASP A 568 3.485 -18.555 15.303 1.00 55.42 H new ATOM 0 HA ASP A 568 4.997 -19.626 17.606 1.00 33.32 H new ATOM 0 HB2 ASP A 568 2.020 -19.700 16.977 1.00 3.45 H new ATOM 0 HB3 ASP A 568 2.775 -20.439 18.375 1.00 3.45 H new ATOM 394 N LEU A 569 3.639 -21.071 14.988 1.00 54.41 N ATOM 395 CA LEU A 569 3.584 -22.287 14.195 1.00 30.11 C ATOM 396 C LEU A 569 4.966 -22.566 13.601 1.00 21.11 C ATOM 397 O LEU A 569 5.860 -21.725 13.678 1.00 2.14 O ATOM 398 CB LEU A 569 2.472 -22.195 13.148 1.00 31.13 C ATOM 399 CG LEU A 569 2.528 -20.984 12.215 1.00 63.34 C ATOM 400 CD1 LEU A 569 3.975 -20.563 11.950 1.00 60.13 C ATOM 401 CD2 LEU A 569 1.764 -21.256 10.917 1.00 31.24 C ATOM 0 H LEU A 569 3.236 -20.250 14.537 1.00 54.41 H new ATOM 0 HA LEU A 569 3.328 -23.140 14.824 1.00 30.11 H new ATOM 0 HB2 LEU A 569 2.497 -23.099 12.539 1.00 31.13 H new ATOM 0 HB3 LEU A 569 1.513 -22.186 13.666 1.00 31.13 H new ATOM 0 HG LEU A 569 2.034 -20.148 12.710 1.00 63.34 H new ATOM 0 HD11 LEU A 569 3.987 -19.700 11.284 1.00 60.13 H new ATOM 0 HD12 LEU A 569 4.456 -20.301 12.892 1.00 60.13 H new ATOM 0 HD13 LEU A 569 4.515 -21.388 11.485 1.00 60.13 H new ATOM 0 HD21 LEU A 569 1.819 -20.379 10.272 1.00 31.24 H new ATOM 0 HD22 LEU A 569 2.207 -22.111 10.406 1.00 31.24 H new ATOM 0 HD23 LEU A 569 0.721 -21.472 11.147 1.00 31.24 H new ATOM 413 N ARG A 570 5.098 -23.750 13.022 1.00 71.25 N ATOM 414 CA ARG A 570 6.356 -24.151 12.415 1.00 50.53 C ATOM 415 C ARG A 570 6.098 -25.039 11.196 1.00 45.11 C ATOM 416 O ARG A 570 4.950 -25.248 10.807 1.00 44.30 O ATOM 417 CB ARG A 570 7.233 -24.908 13.414 1.00 73.45 C ATOM 418 CG ARG A 570 8.050 -23.940 14.271 1.00 14.12 C ATOM 419 CD ARG A 570 7.289 -23.558 15.543 1.00 52.14 C ATOM 420 NE ARG A 570 7.655 -22.186 15.959 1.00 45.12 N ATOM 421 CZ ARG A 570 8.854 -21.848 16.479 1.00 3.34 C ATOM 422 NH1 ARG A 570 9.814 -22.781 16.652 1.00 20.33 N ATOM 423 NH2 ARG A 570 9.074 -20.591 16.817 1.00 11.30 N ATOM 0 H ARG A 570 4.354 -24.445 12.960 1.00 71.25 H new ATOM 0 HA ARG A 570 6.878 -23.246 12.105 1.00 50.53 H new ATOM 0 HB2 ARG A 570 6.607 -25.528 14.056 1.00 73.45 H new ATOM 0 HB3 ARG A 570 7.904 -25.580 12.878 1.00 73.45 H new ATOM 0 HG2 ARG A 570 9.002 -24.399 14.537 1.00 14.12 H new ATOM 0 HG3 ARG A 570 8.278 -23.043 13.696 1.00 14.12 H new ATOM 0 HD2 ARG A 570 6.215 -23.619 15.366 1.00 52.14 H new ATOM 0 HD3 ARG A 570 7.521 -24.263 16.341 1.00 52.14 H new ATOM 0 HE ARG A 570 6.958 -21.450 15.846 1.00 45.12 H new ATOM 0 HH11 ARG A 570 9.636 -23.750 16.389 1.00 20.33 H new ATOM 0 HH12 ARG A 570 10.717 -22.517 17.046 1.00 20.33 H new ATOM 0 HH21 ARG A 570 8.343 -19.892 16.684 1.00 11.30 H new ATOM 0 HH22 ARG A 570 9.975 -20.319 17.211 1.00 11.30 H new ATOM 436 N LYS A 571 7.186 -25.538 10.627 1.00 31.11 N ATOM 437 CA LYS A 571 7.092 -26.399 9.460 1.00 21.24 C ATOM 438 C LYS A 571 7.856 -27.698 9.728 1.00 54.12 C ATOM 439 O LYS A 571 8.728 -27.742 10.594 1.00 61.24 O ATOM 440 CB LYS A 571 7.561 -25.657 8.207 1.00 2.15 C ATOM 441 CG LYS A 571 7.203 -26.437 6.941 1.00 32.53 C ATOM 442 CD LYS A 571 7.067 -25.500 5.740 1.00 71.35 C ATOM 443 CE LYS A 571 8.291 -24.591 5.612 1.00 13.13 C ATOM 444 NZ LYS A 571 8.446 -24.123 4.217 1.00 53.22 N ATOM 0 H LYS A 571 8.137 -25.363 10.952 1.00 31.11 H new ATOM 0 HA LYS A 571 6.054 -26.672 9.270 1.00 21.24 H new ATOM 0 HB2 LYS A 571 7.102 -24.669 8.172 1.00 2.15 H new ATOM 0 HB3 LYS A 571 8.639 -25.505 8.252 1.00 2.15 H new ATOM 0 HG2 LYS A 571 7.972 -27.183 6.740 1.00 32.53 H new ATOM 0 HG3 LYS A 571 6.268 -26.976 7.094 1.00 32.53 H new ATOM 0 HD2 LYS A 571 6.948 -26.086 4.829 1.00 71.35 H new ATOM 0 HD3 LYS A 571 6.168 -24.893 5.848 1.00 71.35 H new ATOM 0 HE2 LYS A 571 8.187 -23.735 6.279 1.00 13.13 H new ATOM 0 HE3 LYS A 571 9.186 -25.130 5.922 1.00 13.13 H new ATOM 0 HZ1 LYS A 571 9.281 -23.507 4.148 1.00 53.22 H new ATOM 0 HZ2 LYS A 571 8.567 -24.942 3.587 1.00 53.22 H new ATOM 0 HZ3 LYS A 571 7.599 -23.590 3.933 1.00 53.22 H new ATOM 457 N VAL A 572 7.499 -28.723 8.968 1.00 22.43 N ATOM 458 CA VAL A 572 8.140 -30.020 9.112 1.00 11.43 C ATOM 459 C VAL A 572 8.774 -30.421 7.779 1.00 24.02 C ATOM 460 O VAL A 572 8.069 -30.704 6.812 1.00 31.32 O ATOM 461 CB VAL A 572 7.131 -31.048 9.628 1.00 53.33 C ATOM 462 CG1 VAL A 572 7.497 -32.458 9.160 1.00 52.53 C ATOM 463 CG2 VAL A 572 7.017 -30.988 11.152 1.00 24.03 C ATOM 0 H VAL A 572 6.775 -28.682 8.251 1.00 22.43 H new ATOM 0 HA VAL A 572 8.940 -29.971 9.851 1.00 11.43 H new ATOM 0 HB VAL A 572 6.156 -30.799 9.210 1.00 53.33 H new ATOM 0 HG11 VAL A 572 6.764 -33.169 9.540 1.00 52.53 H new ATOM 0 HG12 VAL A 572 7.502 -32.490 8.070 1.00 52.53 H new ATOM 0 HG13 VAL A 572 8.486 -32.721 9.535 1.00 52.53 H new ATOM 0 HG21 VAL A 572 6.293 -31.729 11.492 1.00 24.03 H new ATOM 0 HG22 VAL A 572 7.989 -31.199 11.598 1.00 24.03 H new ATOM 0 HG23 VAL A 572 6.687 -29.994 11.453 1.00 24.03 H new ATOM 473 N GLU A 573 10.099 -30.433 7.771 1.00 42.44 N ATOM 474 CA GLU A 573 10.837 -30.795 6.572 1.00 13.42 C ATOM 475 C GLU A 573 10.167 -30.193 5.335 1.00 61.21 C ATOM 476 O GLU A 573 10.120 -30.826 4.281 1.00 14.11 O ATOM 477 CB GLU A 573 10.962 -32.314 6.444 1.00 43.14 C ATOM 478 CG GLU A 573 9.600 -32.956 6.172 1.00 43.34 C ATOM 479 CD GLU A 573 9.763 -34.339 5.537 1.00 13.53 C ATOM 480 OE1 GLU A 573 9.143 -34.622 4.502 1.00 75.24 O ATOM 481 OE2 GLU A 573 10.568 -35.132 6.158 1.00 22.02 O ATOM 0 H GLU A 573 10.681 -30.198 8.575 1.00 42.44 H new ATOM 0 HA GLU A 573 11.844 -30.386 6.650 1.00 13.42 H new ATOM 0 HB2 GLU A 573 11.651 -32.559 5.636 1.00 43.14 H new ATOM 0 HB3 GLU A 573 11.386 -32.726 7.360 1.00 43.14 H new ATOM 0 HG2 GLU A 573 9.042 -33.043 7.104 1.00 43.34 H new ATOM 0 HG3 GLU A 573 9.017 -32.315 5.511 1.00 43.34 H new ATOM 489 N GLY A 574 9.666 -28.978 5.504 1.00 64.21 N ATOM 490 CA GLY A 574 9.002 -28.284 4.414 1.00 74.40 C ATOM 491 C GLY A 574 8.101 -29.237 3.626 1.00 71.43 C ATOM 492 O GLY A 574 8.148 -29.267 2.397 1.00 74.51 O ATOM 0 H GLY A 574 9.707 -28.456 6.380 1.00 64.21 H new ATOM 0 HA2 GLY A 574 8.408 -27.461 4.811 1.00 74.40 H new ATOM 0 HA3 GLY A 574 9.747 -27.848 3.748 1.00 74.40 H new ATOM 496 N THR A 575 7.302 -29.993 4.365 1.00 50.20 N ATOM 497 CA THR A 575 6.392 -30.944 3.750 1.00 31.35 C ATOM 498 C THR A 575 4.943 -30.601 4.103 1.00 23.03 C ATOM 499 O THR A 575 4.087 -30.526 3.223 1.00 3.02 O ATOM 500 CB THR A 575 6.808 -32.349 4.191 1.00 21.03 C ATOM 501 OG1 THR A 575 7.929 -32.654 3.366 1.00 1.10 O ATOM 502 CG2 THR A 575 5.771 -33.411 3.819 1.00 44.12 C ATOM 0 H THR A 575 7.266 -29.966 5.384 1.00 50.20 H new ATOM 0 HA THR A 575 6.448 -30.898 2.662 1.00 31.35 H new ATOM 0 HB THR A 575 6.966 -32.359 5.269 1.00 21.03 H new ATOM 0 HG1 THR A 575 8.229 -33.569 3.546 1.00 1.10 H new ATOM 0 HG21 THR A 575 6.115 -34.389 4.155 1.00 44.12 H new ATOM 0 HG22 THR A 575 4.821 -33.176 4.300 1.00 44.12 H new ATOM 0 HG23 THR A 575 5.637 -33.425 2.737 1.00 44.12 H new ATOM 510 N HIS A 576 4.713 -30.402 5.393 1.00 44.32 N ATOM 511 CA HIS A 576 3.383 -30.068 5.873 1.00 61.20 C ATOM 512 C HIS A 576 3.492 -29.131 7.078 1.00 64.43 C ATOM 513 O HIS A 576 3.854 -29.561 8.172 1.00 1.10 O ATOM 514 CB HIS A 576 2.582 -31.335 6.178 1.00 21.40 C ATOM 515 CG HIS A 576 2.010 -32.010 4.954 1.00 14.30 C ATOM 516 ND1 HIS A 576 2.410 -33.266 4.534 1.00 43.13 N ATOM 517 CD2 HIS A 576 1.063 -31.590 4.066 1.00 63.01 C ATOM 518 CE1 HIS A 576 1.730 -33.578 3.440 1.00 11.15 C ATOM 519 NE2 HIS A 576 0.896 -32.538 3.152 1.00 41.21 N ATOM 0 H HIS A 576 5.425 -30.466 6.120 1.00 44.32 H new ATOM 0 HA HIS A 576 2.834 -29.539 5.094 1.00 61.20 H new ATOM 0 HB2 HIS A 576 3.225 -32.042 6.703 1.00 21.40 H new ATOM 0 HB3 HIS A 576 1.766 -31.083 6.856 1.00 21.40 H new ATOM 0 HD2 HIS A 576 0.538 -30.647 4.101 1.00 63.01 H new ATOM 0 HE1 HIS A 576 1.820 -34.495 2.876 1.00 11.15 H new ATOM 0 HE2 HIS A 576 0.250 -32.496 2.364 1.00 41.21 H new ATOM 527 N HIS A 577 3.173 -27.869 6.836 1.00 51.44 N ATOM 528 CA HIS A 577 3.231 -26.867 7.887 1.00 75.21 C ATOM 529 C HIS A 577 2.561 -27.411 9.151 1.00 51.34 C ATOM 530 O HIS A 577 1.417 -27.861 9.107 1.00 61.11 O ATOM 531 CB HIS A 577 2.620 -25.547 7.413 1.00 12.34 C ATOM 532 CG HIS A 577 3.189 -25.039 6.110 1.00 71.41 C ATOM 533 ND1 HIS A 577 4.071 -23.975 6.041 1.00 63.43 N ATOM 534 CD2 HIS A 577 2.993 -25.461 4.828 1.00 62.43 C ATOM 535 CE1 HIS A 577 4.385 -23.774 4.769 1.00 21.23 C ATOM 536 NE2 HIS A 577 3.716 -24.696 4.019 1.00 15.21 N ATOM 0 H HIS A 577 2.873 -27.517 5.927 1.00 51.44 H new ATOM 0 HA HIS A 577 4.271 -26.651 8.133 1.00 75.21 H new ATOM 0 HB2 HIS A 577 1.543 -25.676 7.301 1.00 12.34 H new ATOM 0 HB3 HIS A 577 2.772 -24.791 8.183 1.00 12.34 H new ATOM 0 HD2 HIS A 577 2.357 -26.279 4.523 1.00 62.43 H new ATOM 0 HE1 HIS A 577 5.053 -23.014 4.393 1.00 21.23 H new ATOM 0 HE2 HIS A 577 3.763 -24.783 3.004 1.00 15.21 H new ATOM 544 N VAL A 578 3.302 -27.351 10.247 1.00 44.30 N ATOM 545 CA VAL A 578 2.795 -27.831 11.521 1.00 70.31 C ATOM 546 C VAL A 578 2.911 -26.718 12.564 1.00 51.11 C ATOM 547 O VAL A 578 3.999 -26.194 12.800 1.00 74.22 O ATOM 548 CB VAL A 578 3.529 -29.110 11.928 1.00 63.42 C ATOM 549 CG1 VAL A 578 2.966 -30.325 11.187 1.00 2.03 C ATOM 550 CG2 VAL A 578 5.035 -28.976 11.695 1.00 44.44 C ATOM 0 H VAL A 578 4.250 -26.977 10.279 1.00 44.30 H new ATOM 0 HA VAL A 578 1.739 -28.090 11.438 1.00 70.31 H new ATOM 0 HB VAL A 578 3.367 -29.263 12.995 1.00 63.42 H new ATOM 0 HG11 VAL A 578 3.505 -31.221 11.495 1.00 2.03 H new ATOM 0 HG12 VAL A 578 1.908 -30.438 11.425 1.00 2.03 H new ATOM 0 HG13 VAL A 578 3.083 -30.182 10.113 1.00 2.03 H new ATOM 0 HG21 VAL A 578 5.533 -29.899 11.993 1.00 44.44 H new ATOM 0 HG22 VAL A 578 5.224 -28.786 10.639 1.00 44.44 H new ATOM 0 HG23 VAL A 578 5.423 -28.147 12.288 1.00 44.44 H new ATOM 560 N ASN A 579 1.775 -26.389 13.161 1.00 74.05 N ATOM 561 CA ASN A 579 1.735 -25.347 14.173 1.00 71.42 C ATOM 562 C ASN A 579 1.879 -25.982 15.557 1.00 31.15 C ATOM 563 O ASN A 579 1.150 -26.913 15.896 1.00 32.04 O ATOM 564 CB ASN A 579 0.405 -24.593 14.135 1.00 54.32 C ATOM 565 CG ASN A 579 0.052 -24.174 12.706 1.00 64.11 C ATOM 566 OD1 ASN A 579 0.520 -24.742 11.732 1.00 15.41 O ATOM 567 ND2 ASN A 579 -0.796 -23.152 12.635 1.00 5.02 N ATOM 0 H ASN A 579 0.875 -26.826 12.963 1.00 74.05 H new ATOM 0 HA ASN A 579 2.550 -24.651 13.973 1.00 71.42 H new ATOM 0 HB2 ASN A 579 -0.387 -25.224 14.539 1.00 54.32 H new ATOM 0 HB3 ASN A 579 0.465 -23.711 14.772 1.00 54.32 H new ATOM 0 HD21 ASN A 579 -1.093 -22.798 11.726 1.00 5.02 H new ATOM 0 HD22 ASN A 579 -1.150 -22.722 13.490 1.00 5.02 H new ATOM 574 N VAL A 580 2.824 -25.453 16.320 1.00 23.23 N ATOM 575 CA VAL A 580 3.073 -25.956 17.661 1.00 62.45 C ATOM 576 C VAL A 580 2.501 -24.974 18.684 1.00 2.41 C ATOM 577 O VAL A 580 2.701 -23.765 18.569 1.00 62.41 O ATOM 578 CB VAL A 580 4.569 -26.216 17.852 1.00 33.54 C ATOM 579 CG1 VAL A 580 4.811 -27.206 18.993 1.00 20.45 C ATOM 580 CG2 VAL A 580 5.211 -26.709 16.554 1.00 53.42 C ATOM 0 H VAL A 580 3.427 -24.681 16.035 1.00 23.23 H new ATOM 0 HA VAL A 580 2.569 -26.911 17.811 1.00 62.45 H new ATOM 0 HB VAL A 580 5.041 -25.271 18.121 1.00 33.54 H new ATOM 0 HG11 VAL A 580 5.882 -27.374 19.108 1.00 20.45 H new ATOM 0 HG12 VAL A 580 4.406 -26.799 19.920 1.00 20.45 H new ATOM 0 HG13 VAL A 580 4.318 -28.151 18.765 1.00 20.45 H new ATOM 0 HG21 VAL A 580 6.274 -26.886 16.718 1.00 53.42 H new ATOM 0 HG22 VAL A 580 4.733 -27.637 16.241 1.00 53.42 H new ATOM 0 HG23 VAL A 580 5.084 -25.956 15.776 1.00 53.42 H new ATOM 590 N ASN A 581 1.801 -25.528 19.662 1.00 33.43 N ATOM 591 CA ASN A 581 1.198 -24.716 20.705 1.00 3.24 C ATOM 592 C ASN A 581 0.383 -25.614 21.638 1.00 0.53 C ATOM 593 O ASN A 581 -0.433 -26.412 21.181 1.00 64.43 O ATOM 594 CB ASN A 581 0.253 -23.669 20.112 1.00 65.24 C ATOM 595 CG ASN A 581 0.978 -22.341 19.887 1.00 3.43 C ATOM 596 OD1 ASN A 581 0.943 -21.758 18.816 1.00 43.20 O ATOM 597 ND2 ASN A 581 1.635 -21.896 20.955 1.00 44.14 N ATOM 0 H ASN A 581 1.638 -26.531 19.754 1.00 33.43 H new ATOM 0 HA ASN A 581 2.000 -24.213 21.246 1.00 3.24 H new ATOM 0 HB2 ASN A 581 -0.150 -24.032 19.167 1.00 65.24 H new ATOM 0 HB3 ASN A 581 -0.593 -23.517 20.782 1.00 65.24 H new ATOM 0 HD21 ASN A 581 2.150 -21.017 20.907 1.00 44.14 H new ATOM 0 HD22 ASN A 581 1.623 -22.434 21.822 1.00 44.14 H new ATOM 604 N PRO A 582 0.638 -25.448 22.964 1.00 45.32 N ATOM 605 CA PRO A 582 -0.062 -26.234 23.965 1.00 12.51 C ATOM 606 C PRO A 582 -1.499 -25.738 24.145 1.00 64.05 C ATOM 607 O PRO A 582 -2.411 -26.534 24.364 1.00 4.44 O ATOM 608 CB PRO A 582 0.774 -26.099 25.227 1.00 65.31 C ATOM 609 CG PRO A 582 1.653 -24.876 25.017 1.00 74.54 C ATOM 610 CD PRO A 582 1.598 -24.511 23.542 1.00 34.22 C ATOM 0 HA PRO A 582 -0.164 -27.281 23.681 1.00 12.51 H new ATOM 0 HB2 PRO A 582 0.139 -25.977 26.105 1.00 65.31 H new ATOM 0 HB3 PRO A 582 1.379 -26.991 25.392 1.00 65.31 H new ATOM 0 HG2 PRO A 582 1.303 -24.045 25.629 1.00 74.54 H new ATOM 0 HG3 PRO A 582 2.679 -25.086 25.320 1.00 74.54 H new ATOM 0 HD2 PRO A 582 1.278 -23.479 23.401 1.00 34.22 H new ATOM 0 HD3 PRO A 582 2.577 -24.608 23.073 1.00 34.22 H new ATOM 618 N ASN A 583 -1.655 -24.426 24.044 1.00 71.21 N ATOM 619 CA ASN A 583 -2.965 -23.815 24.192 1.00 30.21 C ATOM 620 C ASN A 583 -3.780 -24.050 22.919 1.00 63.14 C ATOM 621 O ASN A 583 -4.942 -23.657 22.840 1.00 54.32 O ATOM 622 CB ASN A 583 -2.847 -22.305 24.406 1.00 12.11 C ATOM 623 CG ASN A 583 -1.611 -21.964 25.241 1.00 33.11 C ATOM 624 OD1 ASN A 583 -0.735 -21.223 24.827 1.00 55.40 O ATOM 625 ND2 ASN A 583 -1.589 -22.545 26.437 1.00 35.41 N ATOM 0 H ASN A 583 -0.896 -23.769 23.862 1.00 71.21 H new ATOM 0 HA ASN A 583 -3.451 -24.265 25.058 1.00 30.21 H new ATOM 0 HB2 ASN A 583 -2.789 -21.801 23.441 1.00 12.11 H new ATOM 0 HB3 ASN A 583 -3.742 -21.934 24.906 1.00 12.11 H new ATOM 0 HD21 ASN A 583 -0.806 -22.381 27.069 1.00 35.41 H new ATOM 0 HD22 ASN A 583 -2.355 -23.155 26.722 1.00 35.41 H new ATOM 632 N PHE A 584 -3.137 -24.691 21.953 1.00 11.50 N ATOM 633 CA PHE A 584 -3.788 -24.983 20.687 1.00 45.41 C ATOM 634 C PHE A 584 -4.839 -26.082 20.851 1.00 0.14 C ATOM 635 O PHE A 584 -5.852 -26.087 20.153 1.00 5.21 O ATOM 636 CB PHE A 584 -2.700 -25.472 19.728 1.00 35.42 C ATOM 637 CG PHE A 584 -3.051 -25.299 18.249 1.00 51.10 C ATOM 638 CD1 PHE A 584 -3.543 -24.112 17.801 1.00 23.43 C ATOM 639 CD2 PHE A 584 -2.871 -26.331 17.382 1.00 73.11 C ATOM 640 CE1 PHE A 584 -3.868 -23.951 16.429 1.00 72.54 C ATOM 641 CE2 PHE A 584 -3.197 -26.170 16.009 1.00 21.11 C ATOM 642 CZ PHE A 584 -3.688 -24.984 15.561 1.00 14.45 C ATOM 0 H PHE A 584 -2.173 -25.016 22.022 1.00 11.50 H new ATOM 0 HA PHE A 584 -4.290 -24.091 20.312 1.00 45.41 H new ATOM 0 HB2 PHE A 584 -1.776 -24.932 19.937 1.00 35.42 H new ATOM 0 HB3 PHE A 584 -2.505 -26.526 19.924 1.00 35.42 H new ATOM 0 HD1 PHE A 584 -3.686 -23.292 18.490 1.00 23.43 H new ATOM 0 HD2 PHE A 584 -2.480 -27.273 17.737 1.00 73.11 H new ATOM 0 HE1 PHE A 584 -4.258 -23.009 16.074 1.00 72.54 H new ATOM 0 HE2 PHE A 584 -3.055 -26.990 15.321 1.00 21.11 H new ATOM 0 HZ PHE A 584 -3.935 -24.862 14.517 1.00 14.45 H new ATOM 652 N SER A 585 -4.563 -26.987 21.779 1.00 44.22 N ATOM 653 CA SER A 585 -5.472 -28.089 22.044 1.00 40.32 C ATOM 654 C SER A 585 -6.837 -27.548 22.474 1.00 73.42 C ATOM 655 O SER A 585 -7.845 -28.246 22.371 1.00 54.34 O ATOM 656 CB SER A 585 -4.908 -29.022 23.117 1.00 14.12 C ATOM 657 OG SER A 585 -5.187 -28.551 24.433 1.00 22.53 O ATOM 0 H SER A 585 -3.722 -26.979 22.357 1.00 44.22 H new ATOM 0 HA SER A 585 -5.589 -28.665 21.126 1.00 40.32 H new ATOM 0 HB2 SER A 585 -5.332 -30.018 22.991 1.00 14.12 H new ATOM 0 HB3 SER A 585 -3.830 -29.116 22.986 1.00 14.12 H new ATOM 0 HG SER A 585 -4.812 -29.174 25.090 1.00 22.53 H new ATOM 663 N ASN A 586 -6.826 -26.311 22.947 1.00 40.10 N ATOM 664 CA ASN A 586 -8.051 -25.669 23.393 1.00 22.01 C ATOM 665 C ASN A 586 -8.728 -24.989 22.202 1.00 73.14 C ATOM 666 O ASN A 586 -9.910 -24.653 22.264 1.00 70.35 O ATOM 667 CB ASN A 586 -7.759 -24.598 24.446 1.00 54.22 C ATOM 668 CG ASN A 586 -7.799 -25.190 25.856 1.00 14.31 C ATOM 669 OD1 ASN A 586 -8.515 -24.730 26.730 1.00 14.43 O ATOM 670 ND2 ASN A 586 -6.993 -26.233 26.028 1.00 4.10 N ATOM 0 H ASN A 586 -5.988 -25.736 23.031 1.00 40.10 H new ATOM 0 HA ASN A 586 -8.695 -26.435 23.826 1.00 22.01 H new ATOM 0 HB2 ASN A 586 -6.779 -24.158 24.260 1.00 54.22 H new ATOM 0 HB3 ASN A 586 -8.490 -23.794 24.364 1.00 54.22 H new ATOM 0 HD21 ASN A 586 -6.948 -26.699 26.934 1.00 4.10 H new ATOM 0 HD22 ASN A 586 -6.420 -26.568 25.254 1.00 4.10 H new ATOM 677 N TYR A 587 -7.951 -24.806 21.145 1.00 64.33 N ATOM 678 CA TYR A 587 -8.461 -24.172 19.941 1.00 62.52 C ATOM 679 C TYR A 587 -8.905 -25.219 18.917 1.00 53.44 C ATOM 680 O TYR A 587 -9.257 -24.878 17.788 1.00 13.54 O ATOM 681 CB TYR A 587 -7.294 -23.371 19.360 1.00 54.32 C ATOM 682 CG TYR A 587 -7.149 -21.967 19.951 1.00 42.04 C ATOM 683 CD1 TYR A 587 -8.219 -21.095 19.930 1.00 23.21 C ATOM 684 CD2 TYR A 587 -5.948 -21.572 20.504 1.00 22.40 C ATOM 685 CE1 TYR A 587 -8.082 -19.774 20.486 1.00 23.02 C ATOM 686 CE2 TYR A 587 -5.811 -20.251 21.060 1.00 22.21 C ATOM 687 CZ TYR A 587 -6.885 -19.417 21.024 1.00 65.22 C ATOM 688 OH TYR A 587 -6.755 -18.169 21.549 1.00 71.41 O ATOM 0 H TYR A 587 -6.971 -25.086 21.097 1.00 64.33 H new ATOM 0 HA TYR A 587 -9.324 -23.547 20.172 1.00 62.52 H new ATOM 0 HB2 TYR A 587 -6.369 -23.922 19.528 1.00 54.32 H new ATOM 0 HB3 TYR A 587 -7.425 -23.288 18.281 1.00 54.32 H new ATOM 0 HD1 TYR A 587 -9.159 -21.404 19.497 1.00 23.21 H new ATOM 0 HD2 TYR A 587 -5.111 -22.254 20.520 1.00 22.40 H new ATOM 0 HE1 TYR A 587 -8.911 -19.082 20.476 1.00 23.02 H new ATOM 0 HE2 TYR A 587 -4.877 -19.930 21.496 1.00 22.21 H new ATOM 0 HH TYR A 587 -5.847 -18.054 21.898 1.00 71.41 H new ATOM 698 N TYR A 588 -8.875 -26.471 19.346 1.00 22.45 N ATOM 699 CA TYR A 588 -9.270 -27.570 18.481 1.00 52.51 C ATOM 700 C TYR A 588 -9.493 -28.851 19.287 1.00 3.44 C ATOM 701 O TYR A 588 -8.965 -28.995 20.389 1.00 45.41 O ATOM 702 CB TYR A 588 -8.104 -27.786 17.514 1.00 11.54 C ATOM 703 CG TYR A 588 -6.923 -28.544 18.124 1.00 51.33 C ATOM 704 CD1 TYR A 588 -7.051 -29.881 18.440 1.00 0.13 C ATOM 705 CD2 TYR A 588 -5.730 -27.890 18.357 1.00 61.53 C ATOM 706 CE1 TYR A 588 -5.939 -30.595 19.014 1.00 55.52 C ATOM 707 CE2 TYR A 588 -4.618 -28.604 18.930 1.00 34.12 C ATOM 708 CZ TYR A 588 -4.778 -29.921 19.230 1.00 10.15 C ATOM 709 OH TYR A 588 -3.728 -30.595 19.772 1.00 13.21 O ATOM 0 H TYR A 588 -8.583 -26.750 20.283 1.00 22.45 H new ATOM 0 HA TYR A 588 -10.202 -27.337 17.967 1.00 52.51 H new ATOM 0 HB2 TYR A 588 -8.464 -28.334 16.643 1.00 11.54 H new ATOM 0 HB3 TYR A 588 -7.756 -26.816 17.158 1.00 11.54 H new ATOM 0 HD1 TYR A 588 -7.985 -30.392 18.257 1.00 0.13 H new ATOM 0 HD2 TYR A 588 -5.630 -26.843 18.110 1.00 61.53 H new ATOM 0 HE1 TYR A 588 -6.026 -31.641 19.267 1.00 55.52 H new ATOM 0 HE2 TYR A 588 -3.679 -28.105 19.117 1.00 34.12 H new ATOM 0 HH TYR A 588 -2.965 -29.988 19.869 1.00 13.21 H new ATOM 719 N ASN A 589 -10.275 -29.749 18.707 1.00 12.42 N ATOM 720 CA ASN A 589 -10.574 -31.013 19.358 1.00 11.12 C ATOM 721 C ASN A 589 -10.268 -32.162 18.395 1.00 31.05 C ATOM 722 O ASN A 589 -10.818 -32.219 17.297 1.00 73.51 O ATOM 723 CB ASN A 589 -12.053 -31.099 19.742 1.00 5.21 C ATOM 724 CG ASN A 589 -12.419 -30.016 20.759 1.00 23.12 C ATOM 725 OD1 ASN A 589 -12.744 -28.848 20.213 1.00 74.02 O flip ATOM 726 ND2 ASN A 589 -12.406 -30.227 21.961 1.00 75.35 N flip ATOM 0 H ASN A 589 -10.711 -29.626 17.793 1.00 12.42 H new ATOM 0 HA ASN A 589 -9.963 -31.081 20.258 1.00 11.12 H new ATOM 0 HB2 ASN A 589 -12.671 -30.990 18.851 1.00 5.21 H new ATOM 0 HB3 ASN A 589 -12.267 -32.083 20.160 1.00 5.21 H new ATOM 0 HD21 ASN A 589 -12.147 -31.148 22.314 1.00 75.35 H new ATOM 0 HD22 ASN A 589 -12.655 -29.482 22.612 1.00 75.35 H new ATOM 733 N VAL A 590 -9.391 -33.049 18.843 1.00 51.22 N ATOM 734 CA VAL A 590 -9.005 -34.193 18.035 1.00 73.12 C ATOM 735 C VAL A 590 -10.141 -35.218 18.034 1.00 15.22 C ATOM 736 O VAL A 590 -10.698 -35.533 19.085 1.00 72.33 O ATOM 737 CB VAL A 590 -7.681 -34.769 18.541 1.00 13.22 C ATOM 738 CG1 VAL A 590 -7.472 -36.195 18.029 1.00 32.33 C ATOM 739 CG2 VAL A 590 -6.507 -33.869 18.151 1.00 12.42 C ATOM 0 H VAL A 590 -8.937 -32.998 19.755 1.00 51.22 H new ATOM 0 HA VAL A 590 -8.838 -33.891 17.001 1.00 73.12 H new ATOM 0 HB VAL A 590 -7.727 -34.807 19.629 1.00 13.22 H new ATOM 0 HG11 VAL A 590 -6.524 -36.581 18.403 1.00 32.33 H new ATOM 0 HG12 VAL A 590 -8.286 -36.830 18.379 1.00 32.33 H new ATOM 0 HG13 VAL A 590 -7.458 -36.192 16.939 1.00 32.33 H new ATOM 0 HG21 VAL A 590 -5.578 -34.301 18.523 1.00 12.42 H new ATOM 0 HG22 VAL A 590 -6.459 -33.784 17.065 1.00 12.42 H new ATOM 0 HG23 VAL A 590 -6.647 -32.880 18.587 1.00 12.42 H new ATOM 749 N SER A 591 -10.452 -35.709 16.844 1.00 62.15 N ATOM 750 CA SER A 591 -11.512 -36.692 16.692 1.00 5.34 C ATOM 751 C SER A 591 -11.226 -37.909 17.575 1.00 54.24 C ATOM 752 O SER A 591 -10.162 -38.002 18.185 1.00 75.12 O ATOM 753 CB SER A 591 -11.662 -37.119 15.231 1.00 20.00 C ATOM 754 OG SER A 591 -12.469 -38.286 15.096 1.00 13.44 O ATOM 0 H SER A 591 -9.988 -35.445 15.975 1.00 62.15 H new ATOM 0 HA SER A 591 -12.451 -36.235 17.006 1.00 5.34 H new ATOM 0 HB2 SER A 591 -12.105 -36.304 14.659 1.00 20.00 H new ATOM 0 HB3 SER A 591 -10.676 -37.309 14.806 1.00 20.00 H new ATOM 0 HG SER A 591 -12.542 -38.525 14.149 1.00 13.44 H new ATOM 966 N TRP A 604 6.810 -39.436 10.340 1.00 21.10 N ATOM 967 CA TRP A 604 5.851 -39.167 11.398 1.00 24.33 C ATOM 968 C TRP A 604 4.635 -40.067 11.174 1.00 74.33 C ATOM 969 O TRP A 604 4.479 -40.651 10.102 1.00 22.24 O ATOM 970 CB TRP A 604 5.494 -37.681 11.450 1.00 50.43 C ATOM 971 CG TRP A 604 4.803 -37.163 10.187 1.00 43.45 C ATOM 972 CD1 TRP A 604 4.563 -37.825 9.047 1.00 34.30 C ATOM 973 CD2 TRP A 604 4.270 -35.837 9.980 1.00 65.31 C ATOM 974 NE1 TRP A 604 3.916 -37.028 8.125 1.00 44.53 N ATOM 975 CE2 TRP A 604 3.733 -35.780 8.710 1.00 20.22 C ATOM 976 CE3 TRP A 604 4.243 -34.724 10.838 1.00 44.43 C ATOM 977 CZ2 TRP A 604 3.130 -34.632 8.184 1.00 13.31 C ATOM 978 CZ3 TRP A 604 3.637 -33.583 10.297 1.00 70.51 C ATOM 979 CH2 TRP A 604 3.091 -33.510 9.021 1.00 44.13 C ATOM 0 HA TRP A 604 6.279 -39.397 12.374 1.00 24.33 H new ATOM 0 HB2 TRP A 604 4.843 -37.504 12.306 1.00 50.43 H new ATOM 0 HB3 TRP A 604 6.404 -37.105 11.616 1.00 50.43 H new ATOM 0 HD1 TRP A 604 4.841 -38.854 8.872 1.00 34.30 H new ATOM 0 HE1 TRP A 604 3.625 -37.304 7.187 1.00 44.53 H new ATOM 0 HE3 TRP A 604 4.657 -34.747 11.835 1.00 44.43 H new ATOM 0 HZ2 TRP A 604 2.717 -34.612 7.186 1.00 13.31 H new ATOM 0 HZ3 TRP A 604 3.591 -32.698 10.915 1.00 70.51 H new ATOM 0 HH2 TRP A 604 2.639 -32.592 8.676 1.00 44.13 H new ATOM 990 N LYS A 605 3.803 -40.151 12.202 1.00 72.14 N ATOM 991 CA LYS A 605 2.605 -40.970 12.130 1.00 54.00 C ATOM 992 C LYS A 605 1.371 -40.075 12.265 1.00 43.44 C ATOM 993 O LYS A 605 1.481 -38.917 12.665 1.00 41.21 O ATOM 994 CB LYS A 605 2.663 -42.096 13.164 1.00 72.20 C ATOM 995 CG LYS A 605 2.038 -41.656 14.490 1.00 63.24 C ATOM 996 CD LYS A 605 1.984 -42.819 15.483 1.00 43.31 C ATOM 997 CE LYS A 605 0.860 -42.618 16.501 1.00 21.11 C ATOM 998 NZ LYS A 605 1.101 -43.440 17.708 1.00 62.20 N ATOM 0 H LYS A 605 3.935 -39.665 13.089 1.00 72.14 H new ATOM 0 HA LYS A 605 2.538 -41.462 11.160 1.00 54.00 H new ATOM 0 HB2 LYS A 605 2.137 -42.972 12.783 1.00 72.20 H new ATOM 0 HB3 LYS A 605 3.699 -42.392 13.327 1.00 72.20 H new ATOM 0 HG2 LYS A 605 2.618 -40.837 14.915 1.00 63.24 H new ATOM 0 HG3 LYS A 605 1.032 -41.277 14.314 1.00 63.24 H new ATOM 0 HD2 LYS A 605 1.830 -43.754 14.945 1.00 43.31 H new ATOM 0 HD3 LYS A 605 2.939 -42.904 16.002 1.00 43.31 H new ATOM 0 HE2 LYS A 605 0.796 -41.566 16.777 1.00 21.11 H new ATOM 0 HE3 LYS A 605 -0.096 -42.889 16.054 1.00 21.11 H new ATOM 0 HZ1 LYS A 605 0.329 -43.292 18.389 1.00 62.20 H new ATOM 0 HZ2 LYS A 605 1.140 -44.445 17.442 1.00 62.20 H new ATOM 0 HZ3 LYS A 605 2.004 -43.162 18.143 1.00 62.20 H new ATOM 1011 N PRO A 606 0.195 -40.660 11.913 1.00 0.14 N ATOM 1012 CA PRO A 606 -1.058 -39.928 11.991 1.00 3.10 C ATOM 1013 C PRO A 606 -1.521 -39.787 13.442 1.00 13.33 C ATOM 1014 O PRO A 606 -1.014 -40.472 14.329 1.00 10.32 O ATOM 1015 CB PRO A 606 -2.030 -40.719 11.131 1.00 24.22 C ATOM 1016 CG PRO A 606 -1.422 -42.105 10.982 1.00 10.45 C ATOM 1017 CD PRO A 606 0.027 -42.029 11.435 1.00 60.01 C ATOM 0 HA PRO A 606 -0.970 -38.904 11.629 1.00 3.10 H new ATOM 0 HB2 PRO A 606 -3.013 -40.772 11.600 1.00 24.22 H new ATOM 0 HB3 PRO A 606 -2.166 -40.245 10.159 1.00 24.22 H new ATOM 0 HG2 PRO A 606 -1.972 -42.830 11.582 1.00 10.45 H new ATOM 0 HG3 PRO A 606 -1.481 -42.439 9.946 1.00 10.45 H new ATOM 0 HD2 PRO A 606 0.234 -42.752 12.224 1.00 60.01 H new ATOM 0 HD3 PRO A 606 0.710 -42.249 10.615 1.00 60.01 H new ATOM 1025 N GLY A 607 -2.480 -38.894 13.639 1.00 11.14 N ATOM 1026 CA GLY A 607 -3.018 -38.654 14.968 1.00 70.32 C ATOM 1027 C GLY A 607 -4.548 -38.691 14.955 1.00 64.21 C ATOM 1028 O GLY A 607 -5.146 -39.766 14.930 1.00 1.44 O ATOM 0 H GLY A 607 -2.898 -38.328 12.901 1.00 11.14 H new ATOM 0 HA2 GLY A 607 -2.638 -39.406 15.659 1.00 70.32 H new ATOM 0 HA3 GLY A 607 -2.677 -37.685 15.333 1.00 70.32 H new ATOM 1032 N GLY A 608 -5.136 -37.504 14.972 1.00 34.50 N ATOM 1033 CA GLY A 608 -6.585 -37.388 14.963 1.00 42.54 C ATOM 1034 C GLY A 608 -7.029 -36.139 14.198 1.00 51.01 C ATOM 1035 O GLY A 608 -6.344 -35.118 14.218 1.00 43.22 O ATOM 0 H GLY A 608 -4.636 -36.615 14.992 1.00 34.50 H new ATOM 0 HA2 GLY A 608 -7.022 -38.275 14.504 1.00 42.54 H new ATOM 0 HA3 GLY A 608 -6.956 -37.343 15.987 1.00 42.54 H new ATOM 1039 N VAL A 609 -8.174 -36.262 13.542 1.00 43.10 N ATOM 1040 CA VAL A 609 -8.718 -35.156 12.772 1.00 24.11 C ATOM 1041 C VAL A 609 -8.848 -33.928 13.675 1.00 53.43 C ATOM 1042 O VAL A 609 -9.490 -33.988 14.723 1.00 65.24 O ATOM 1043 CB VAL A 609 -10.043 -35.569 12.128 1.00 2.42 C ATOM 1044 CG1 VAL A 609 -10.567 -34.470 11.201 1.00 61.42 C ATOM 1045 CG2 VAL A 609 -9.899 -36.896 11.380 1.00 13.34 C ATOM 0 H VAL A 609 -8.740 -37.111 13.528 1.00 43.10 H new ATOM 0 HA VAL A 609 -8.045 -34.890 11.957 1.00 24.11 H new ATOM 0 HB VAL A 609 -10.773 -35.712 12.925 1.00 2.42 H new ATOM 0 HG11 VAL A 609 -11.510 -34.788 10.756 1.00 61.42 H new ATOM 0 HG12 VAL A 609 -10.726 -33.556 11.774 1.00 61.42 H new ATOM 0 HG13 VAL A 609 -9.839 -34.281 10.412 1.00 61.42 H new ATOM 0 HG21 VAL A 609 -10.855 -37.167 10.932 1.00 13.34 H new ATOM 0 HG22 VAL A 609 -9.147 -36.793 10.597 1.00 13.34 H new ATOM 0 HG23 VAL A 609 -9.592 -37.675 12.077 1.00 13.34 H new ATOM 1055 N ILE A 610 -8.230 -32.841 13.235 1.00 70.41 N ATOM 1056 CA ILE A 610 -8.269 -31.601 13.990 1.00 52.50 C ATOM 1057 C ILE A 610 -9.441 -30.747 13.500 1.00 64.13 C ATOM 1058 O ILE A 610 -9.749 -30.736 12.309 1.00 14.21 O ATOM 1059 CB ILE A 610 -6.917 -30.888 13.920 1.00 52.22 C ATOM 1060 CG1 ILE A 610 -5.774 -31.894 13.766 1.00 14.52 C ATOM 1061 CG2 ILE A 610 -6.717 -29.972 15.129 1.00 25.53 C ATOM 1062 CD1 ILE A 610 -4.432 -31.259 14.136 1.00 52.02 C ATOM 0 H ILE A 610 -7.700 -32.794 12.365 1.00 70.41 H new ATOM 0 HA ILE A 610 -8.442 -31.804 15.047 1.00 52.50 H new ATOM 0 HB ILE A 610 -6.910 -30.255 13.033 1.00 52.22 H new ATOM 0 HG12 ILE A 610 -5.958 -32.760 14.402 1.00 14.52 H new ATOM 0 HG13 ILE A 610 -5.739 -32.255 12.738 1.00 14.52 H new ATOM 0 HG21 ILE A 610 -5.749 -29.477 15.055 1.00 25.53 H new ATOM 0 HG22 ILE A 610 -7.507 -29.221 15.151 1.00 25.53 H new ATOM 0 HG23 ILE A 610 -6.753 -30.564 16.044 1.00 25.53 H new ATOM 0 HD11 ILE A 610 -3.636 -31.995 14.018 1.00 52.02 H new ATOM 0 HD12 ILE A 610 -4.239 -30.408 13.482 1.00 52.02 H new ATOM 0 HD13 ILE A 610 -4.463 -30.921 15.172 1.00 52.02 H new ATOM 1074 N SER A 611 -10.061 -30.053 14.443 1.00 42.05 N ATOM 1075 CA SER A 611 -11.191 -29.199 14.121 1.00 14.44 C ATOM 1076 C SER A 611 -11.217 -27.990 15.059 1.00 3.22 C ATOM 1077 O SER A 611 -11.301 -28.146 16.276 1.00 15.44 O ATOM 1078 CB SER A 611 -12.509 -29.970 14.215 1.00 70.52 C ATOM 1079 OG SER A 611 -12.426 -31.060 15.130 1.00 41.13 O ATOM 0 H SER A 611 -9.802 -30.065 15.430 1.00 42.05 H new ATOM 0 HA SER A 611 -11.076 -28.853 13.094 1.00 14.44 H new ATOM 0 HB2 SER A 611 -13.303 -29.293 14.529 1.00 70.52 H new ATOM 0 HB3 SER A 611 -12.781 -30.345 13.228 1.00 70.52 H new ATOM 0 HG SER A 611 -11.962 -30.770 15.943 1.00 41.13 H new ATOM 1085 N CYS A 612 -11.142 -26.812 14.457 1.00 63.23 N ATOM 1086 CA CYS A 612 -11.155 -25.578 15.223 1.00 40.53 C ATOM 1087 C CYS A 612 -12.303 -25.651 16.232 1.00 45.41 C ATOM 1088 O CYS A 612 -13.461 -25.806 15.849 1.00 12.24 O ATOM 1089 CB CYS A 612 -11.270 -24.351 14.316 1.00 44.51 C ATOM 1090 SG CYS A 612 -11.066 -22.744 15.169 1.00 73.33 S ATOM 0 H CYS A 612 -11.072 -26.686 13.447 1.00 63.23 H new ATOM 0 HA CYS A 612 -10.211 -25.468 15.756 1.00 40.53 H new ATOM 0 HB2 CYS A 612 -10.519 -24.427 13.529 1.00 44.51 H new ATOM 0 HB3 CYS A 612 -12.245 -24.367 13.829 1.00 44.51 H new ATOM 0 HG CYS A 612 -11.691 -21.818 14.504 1.00 73.33 H new ATOM 1095 N ARG A 613 -11.940 -25.535 17.501 1.00 33.31 N ATOM 1096 CA ARG A 613 -12.925 -25.586 18.568 1.00 32.41 C ATOM 1097 C ARG A 613 -13.791 -24.325 18.552 1.00 0.02 C ATOM 1098 O ARG A 613 -14.944 -24.354 18.979 1.00 53.02 O ATOM 1099 CB ARG A 613 -12.250 -25.716 19.935 1.00 72.20 C ATOM 1100 CG ARG A 613 -13.246 -25.451 21.066 1.00 74.43 C ATOM 1101 CD ARG A 613 -12.559 -25.528 22.431 1.00 75.42 C ATOM 1102 NE ARG A 613 -13.481 -26.116 23.429 1.00 70.14 N ATOM 1103 CZ ARG A 613 -14.590 -25.500 23.889 1.00 34.14 C ATOM 1104 NH1 ARG A 613 -14.926 -24.270 23.445 1.00 61.30 N ATOM 1105 NH2 ARG A 613 -15.342 -26.118 24.781 1.00 31.31 N ATOM 0 H ARG A 613 -10.978 -25.406 17.814 1.00 33.31 H new ATOM 0 HA ARG A 613 -13.551 -26.462 18.400 1.00 32.41 H new ATOM 0 HB2 ARG A 613 -11.829 -26.716 20.043 1.00 72.20 H new ATOM 0 HB3 ARG A 613 -11.421 -25.012 20.003 1.00 72.20 H new ATOM 0 HG2 ARG A 613 -13.696 -24.467 20.936 1.00 74.43 H new ATOM 0 HG3 ARG A 613 -14.055 -26.180 21.021 1.00 74.43 H new ATOM 0 HD2 ARG A 613 -11.655 -26.132 22.359 1.00 75.42 H new ATOM 0 HD3 ARG A 613 -12.252 -24.532 22.750 1.00 75.42 H new ATOM 0 HE ARG A 613 -13.264 -27.045 23.791 1.00 70.14 H new ATOM 0 HH11 ARG A 613 -14.340 -23.799 22.756 1.00 61.30 H new ATOM 0 HH12 ARG A 613 -15.766 -23.812 23.798 1.00 61.30 H new ATOM 0 HH21 ARG A 613 -15.081 -27.047 25.112 1.00 31.31 H new ATOM 0 HH22 ARG A 613 -16.184 -25.667 25.139 1.00 31.31 H new ATOM 1118 N ASN A 614 -13.201 -23.247 18.056 1.00 73.43 N ATOM 1119 CA ASN A 614 -13.904 -21.978 17.979 1.00 74.14 C ATOM 1120 C ASN A 614 -15.055 -22.097 16.978 1.00 73.55 C ATOM 1121 O ASN A 614 -16.132 -21.544 17.195 1.00 31.44 O ATOM 1122 CB ASN A 614 -12.975 -20.862 17.499 1.00 4.20 C ATOM 1123 CG ASN A 614 -11.837 -20.630 18.495 1.00 1.14 C ATOM 1124 OD1 ASN A 614 -10.821 -19.928 18.002 1.00 11.45 O flip ATOM 1125 ND2 ASN A 614 -11.879 -21.060 19.636 1.00 25.12 N flip ATOM 0 H ASN A 614 -12.244 -23.227 17.704 1.00 73.43 H new ATOM 0 HA ASN A 614 -14.273 -21.737 18.976 1.00 74.14 H new ATOM 0 HB2 ASN A 614 -12.563 -21.121 16.524 1.00 4.20 H new ATOM 0 HB3 ASN A 614 -13.543 -19.941 17.370 1.00 4.20 H new ATOM 0 HD21 ASN A 614 -12.690 -21.592 19.951 1.00 25.12 H new ATOM 0 HD22 ASN A 614 -11.103 -20.887 20.275 1.00 25.12 H new ATOM 1132 N CYS A 615 -14.788 -22.823 15.902 1.00 74.05 N ATOM 1133 CA CYS A 615 -15.788 -23.022 14.866 1.00 34.02 C ATOM 1134 C CYS A 615 -16.018 -24.526 14.703 1.00 14.22 C ATOM 1135 O CYS A 615 -17.028 -25.057 15.164 1.00 4.44 O ATOM 1136 CB CYS A 615 -15.378 -22.361 13.549 1.00 62.33 C ATOM 1137 SG CYS A 615 -14.141 -21.023 13.714 1.00 24.23 S ATOM 0 H CYS A 615 -13.894 -23.281 15.725 1.00 74.05 H new ATOM 0 HA CYS A 615 -16.721 -22.543 15.161 1.00 34.02 H new ATOM 0 HB2 CYS A 615 -14.978 -23.126 12.884 1.00 62.33 H new ATOM 0 HB3 CYS A 615 -16.269 -21.956 13.069 1.00 62.33 H new ATOM 0 HG CYS A 615 -13.424 -21.224 14.779 1.00 24.23 H new ATOM 1142 N GLY A 616 -15.065 -25.170 14.046 1.00 54.03 N ATOM 1143 CA GLY A 616 -15.151 -26.602 13.816 1.00 34.21 C ATOM 1144 C GLY A 616 -14.478 -26.988 12.498 1.00 42.44 C ATOM 1145 O GLY A 616 -14.170 -28.157 12.272 1.00 1.03 O ATOM 0 H GLY A 616 -14.229 -24.726 13.665 1.00 54.03 H new ATOM 0 HA2 GLY A 616 -14.677 -27.135 14.640 1.00 34.21 H new ATOM 0 HA3 GLY A 616 -16.197 -26.909 13.798 1.00 34.21 H new ATOM 1149 N GLU A 617 -14.269 -25.982 11.661 1.00 44.12 N ATOM 1150 CA GLU A 617 -13.637 -26.201 10.371 1.00 50.14 C ATOM 1151 C GLU A 617 -12.461 -27.169 10.513 1.00 72.53 C ATOM 1152 O GLU A 617 -11.385 -26.783 10.966 1.00 12.21 O ATOM 1153 CB GLU A 617 -13.185 -24.878 9.750 1.00 53.43 C ATOM 1154 CG GLU A 617 -12.973 -25.024 8.242 1.00 43.24 C ATOM 1155 CD GLU A 617 -13.243 -23.702 7.519 1.00 20.51 C ATOM 1156 OE1 GLU A 617 -14.364 -23.177 7.587 1.00 50.11 O ATOM 1157 OE2 GLU A 617 -12.238 -23.220 6.870 1.00 23.31 O ATOM 0 H GLU A 617 -14.526 -25.013 11.851 1.00 44.12 H new ATOM 0 HA GLU A 617 -14.371 -26.648 9.701 1.00 50.14 H new ATOM 0 HB2 GLU A 617 -13.932 -24.108 9.943 1.00 53.43 H new ATOM 0 HB3 GLU A 617 -12.259 -24.549 10.221 1.00 53.43 H new ATOM 0 HG2 GLU A 617 -11.951 -25.348 8.045 1.00 43.24 H new ATOM 0 HG3 GLU A 617 -13.634 -25.798 7.852 1.00 43.24 H new ATOM 1165 N VAL A 618 -12.706 -28.410 10.117 1.00 55.23 N ATOM 1166 CA VAL A 618 -11.681 -29.437 10.194 1.00 14.33 C ATOM 1167 C VAL A 618 -10.426 -28.954 9.466 1.00 5.40 C ATOM 1168 O VAL A 618 -10.375 -28.959 8.237 1.00 35.20 O ATOM 1169 CB VAL A 618 -12.221 -30.758 9.643 1.00 53.22 C ATOM 1170 CG1 VAL A 618 -11.082 -31.735 9.346 1.00 3.41 C ATOM 1171 CG2 VAL A 618 -13.239 -31.378 10.603 1.00 40.54 C ATOM 0 H VAL A 618 -13.600 -28.727 9.742 1.00 55.23 H new ATOM 0 HA VAL A 618 -11.404 -29.623 11.232 1.00 14.33 H new ATOM 0 HB VAL A 618 -12.733 -30.545 8.704 1.00 53.22 H new ATOM 0 HG11 VAL A 618 -11.494 -32.666 8.956 1.00 3.41 H new ATOM 0 HG12 VAL A 618 -10.410 -31.297 8.608 1.00 3.41 H new ATOM 0 HG13 VAL A 618 -10.529 -31.939 10.263 1.00 3.41 H new ATOM 0 HG21 VAL A 618 -13.607 -32.316 10.187 1.00 40.54 H new ATOM 0 HG22 VAL A 618 -12.763 -31.570 11.565 1.00 40.54 H new ATOM 0 HG23 VAL A 618 -14.073 -30.691 10.742 1.00 40.54 H new ATOM 1181 N TRP A 619 -9.442 -28.547 10.255 1.00 31.13 N ATOM 1182 CA TRP A 619 -8.190 -28.062 9.701 1.00 3.30 C ATOM 1183 C TRP A 619 -7.540 -29.209 8.925 1.00 51.03 C ATOM 1184 O TRP A 619 -7.135 -29.035 7.777 1.00 44.05 O ATOM 1185 CB TRP A 619 -7.287 -27.496 10.799 1.00 22.31 C ATOM 1186 CG TRP A 619 -7.799 -26.193 11.417 1.00 61.55 C ATOM 1187 CD1 TRP A 619 -8.568 -25.256 10.845 1.00 21.35 C ATOM 1188 CD2 TRP A 619 -7.546 -25.719 12.756 1.00 40.02 C ATOM 1189 NE1 TRP A 619 -8.828 -24.217 11.715 1.00 1.40 N ATOM 1190 CE2 TRP A 619 -8.187 -24.507 12.914 1.00 62.13 C ATOM 1191 CE3 TRP A 619 -6.800 -26.295 13.799 1.00 14.15 C ATOM 1192 CZ2 TRP A 619 -8.147 -23.768 14.102 1.00 41.21 C ATOM 1193 CZ3 TRP A 619 -6.770 -25.544 14.981 1.00 53.45 C ATOM 1194 CH2 TRP A 619 -7.410 -24.322 15.155 1.00 21.03 C ATOM 0 H TRP A 619 -9.487 -28.543 11.274 1.00 31.13 H new ATOM 0 HA TRP A 619 -8.368 -27.234 9.015 1.00 3.30 H new ATOM 0 HB2 TRP A 619 -7.179 -28.242 11.587 1.00 22.31 H new ATOM 0 HB3 TRP A 619 -6.293 -27.324 10.385 1.00 22.31 H new ATOM 0 HD1 TRP A 619 -8.937 -25.308 9.831 1.00 21.35 H new ATOM 0 HE1 TRP A 619 -9.388 -23.388 11.515 1.00 1.40 H new ATOM 0 HE3 TRP A 619 -6.290 -27.242 13.697 1.00 14.15 H new ATOM 0 HZ2 TRP A 619 -8.657 -22.821 14.201 1.00 41.21 H new ATOM 0 HZ3 TRP A 619 -6.211 -25.942 15.815 1.00 53.45 H new ATOM 0 HH2 TRP A 619 -7.339 -23.802 16.099 1.00 21.03 H new ATOM 1205 N GLY A 620 -7.462 -30.356 9.583 1.00 65.35 N ATOM 1206 CA GLY A 620 -6.868 -31.532 8.968 1.00 11.04 C ATOM 1207 C GLY A 620 -6.774 -32.685 9.970 1.00 61.13 C ATOM 1208 O GLY A 620 -7.792 -33.237 10.384 1.00 11.32 O ATOM 0 H GLY A 620 -7.800 -30.497 10.535 1.00 65.35 H new ATOM 0 HA2 GLY A 620 -7.465 -31.839 8.109 1.00 11.04 H new ATOM 0 HA3 GLY A 620 -5.874 -31.288 8.594 1.00 11.04 H new ATOM 1212 N LEU A 621 -5.542 -33.015 10.329 1.00 32.12 N ATOM 1213 CA LEU A 621 -5.302 -34.093 11.274 1.00 3.40 C ATOM 1214 C LEU A 621 -4.011 -33.810 12.045 1.00 21.14 C ATOM 1215 O LEU A 621 -3.134 -33.099 11.556 1.00 33.24 O ATOM 1216 CB LEU A 621 -5.307 -35.444 10.558 1.00 64.54 C ATOM 1217 CG LEU A 621 -3.956 -35.925 10.023 1.00 60.20 C ATOM 1218 CD1 LEU A 621 -3.335 -34.885 9.088 1.00 22.43 C ATOM 1219 CD2 LEU A 621 -3.015 -36.300 11.169 1.00 23.53 C ATOM 0 H LEU A 621 -4.700 -32.555 9.983 1.00 32.12 H new ATOM 0 HA LEU A 621 -6.107 -34.144 12.007 1.00 3.40 H new ATOM 0 HB2 LEU A 621 -5.691 -36.196 11.247 1.00 64.54 H new ATOM 0 HB3 LEU A 621 -6.007 -35.388 9.724 1.00 64.54 H new ATOM 0 HG LEU A 621 -4.123 -36.828 9.435 1.00 60.20 H new ATOM 0 HD11 LEU A 621 -2.376 -35.251 8.722 1.00 22.43 H new ATOM 0 HD12 LEU A 621 -4.002 -34.710 8.244 1.00 22.43 H new ATOM 0 HD13 LEU A 621 -3.184 -33.952 9.631 1.00 22.43 H new ATOM 0 HD21 LEU A 621 -2.062 -36.638 10.762 1.00 23.53 H new ATOM 0 HD22 LEU A 621 -2.850 -35.429 11.804 1.00 23.53 H new ATOM 0 HD23 LEU A 621 -3.462 -37.100 11.760 1.00 23.53 H new ATOM 1231 N GLN A 622 -3.935 -34.382 13.238 1.00 10.53 N ATOM 1232 CA GLN A 622 -2.766 -34.200 14.082 1.00 30.11 C ATOM 1233 C GLN A 622 -1.706 -35.253 13.754 1.00 63.14 C ATOM 1234 O GLN A 622 -2.015 -36.439 13.649 1.00 51.14 O ATOM 1235 CB GLN A 622 -3.146 -34.248 15.563 1.00 32.22 C ATOM 1236 CG GLN A 622 -2.319 -33.249 16.374 1.00 13.53 C ATOM 1237 CD GLN A 622 -2.099 -33.751 17.803 1.00 52.52 C ATOM 1238 OE1 GLN A 622 -1.007 -34.127 18.195 1.00 42.13 O ATOM 1239 NE2 GLN A 622 -3.195 -33.735 18.557 1.00 42.14 N ATOM 0 H GLN A 622 -4.664 -34.972 13.640 1.00 10.53 H new ATOM 0 HA GLN A 622 -2.346 -33.214 13.880 1.00 30.11 H new ATOM 0 HB2 GLN A 622 -4.207 -34.025 15.677 1.00 32.22 H new ATOM 0 HB3 GLN A 622 -2.989 -35.255 15.950 1.00 32.22 H new ATOM 0 HG2 GLN A 622 -1.356 -33.090 15.888 1.00 13.53 H new ATOM 0 HG3 GLN A 622 -2.827 -32.285 16.398 1.00 13.53 H new ATOM 0 HE21 GLN A 622 -4.078 -33.408 18.166 1.00 42.14 H new ATOM 0 HE22 GLN A 622 -3.152 -34.050 19.526 1.00 42.14 H new ATOM 1248 N MET A 623 -0.477 -34.782 13.601 1.00 40.34 N ATOM 1249 CA MET A 623 0.631 -35.668 13.286 1.00 12.13 C ATOM 1250 C MET A 623 1.575 -35.811 14.482 1.00 34.40 C ATOM 1251 O MET A 623 1.831 -34.842 15.195 1.00 72.31 O ATOM 1252 CB MET A 623 1.405 -35.113 12.089 1.00 74.13 C ATOM 1253 CG MET A 623 0.688 -35.436 10.776 1.00 62.12 C ATOM 1254 SD MET A 623 0.804 -37.184 10.431 1.00 1.41 S ATOM 1255 CE MET A 623 0.400 -37.184 8.692 1.00 5.13 C ATOM 0 H MET A 623 -0.224 -33.798 13.689 1.00 40.34 H new ATOM 0 HA MET A 623 0.228 -36.651 13.045 1.00 12.13 H new ATOM 0 HB2 MET A 623 1.515 -34.033 12.191 1.00 74.13 H new ATOM 0 HB3 MET A 623 2.409 -35.536 12.073 1.00 74.13 H new ATOM 0 HG2 MET A 623 -0.359 -35.138 10.841 1.00 62.12 H new ATOM 0 HG3 MET A 623 1.132 -34.866 9.960 1.00 62.12 H new ATOM 0 HE1 MET A 623 -0.468 -37.820 8.520 1.00 5.13 H new ATOM 0 HE2 MET A 623 0.174 -36.167 8.371 1.00 5.13 H new ATOM 0 HE3 MET A 623 1.247 -37.565 8.122 1.00 5.13 H new ATOM 1265 N ILE A 624 2.066 -37.028 14.665 1.00 71.23 N ATOM 1266 CA ILE A 624 2.976 -37.311 15.762 1.00 53.02 C ATOM 1267 C ILE A 624 4.344 -37.699 15.197 1.00 34.40 C ATOM 1268 O ILE A 624 4.468 -38.705 14.499 1.00 3.50 O ATOM 1269 CB ILE A 624 2.376 -38.362 16.698 1.00 71.11 C ATOM 1270 CG1 ILE A 624 0.959 -37.973 17.123 1.00 14.31 C ATOM 1271 CG2 ILE A 624 3.288 -38.609 17.901 1.00 11.24 C ATOM 1272 CD1 ILE A 624 -0.081 -38.548 16.159 1.00 63.12 C ATOM 0 H ILE A 624 1.851 -37.829 14.072 1.00 71.23 H new ATOM 0 HA ILE A 624 3.124 -36.421 16.373 1.00 53.02 H new ATOM 0 HB ILE A 624 2.301 -39.303 16.152 1.00 71.11 H new ATOM 0 HG12 ILE A 624 0.765 -38.337 18.132 1.00 14.31 H new ATOM 0 HG13 ILE A 624 0.870 -36.887 17.154 1.00 14.31 H new ATOM 0 HG21 ILE A 624 2.838 -39.360 18.550 1.00 11.24 H new ATOM 0 HG22 ILE A 624 4.259 -38.963 17.555 1.00 11.24 H new ATOM 0 HG23 ILE A 624 3.417 -37.680 18.456 1.00 11.24 H new ATOM 0 HD11 ILE A 624 -1.079 -38.256 16.485 1.00 63.12 H new ATOM 0 HD12 ILE A 624 0.101 -38.163 15.156 1.00 63.12 H new ATOM 0 HD13 ILE A 624 -0.006 -39.635 16.149 1.00 63.12 H new ATOM 1284 N TYR A 625 5.335 -36.882 15.520 1.00 23.41 N ATOM 1285 CA TYR A 625 6.689 -37.128 15.054 1.00 44.13 C ATOM 1286 C TYR A 625 7.616 -37.477 16.220 1.00 42.40 C ATOM 1287 O TYR A 625 7.854 -36.649 17.098 1.00 15.50 O ATOM 1288 CB TYR A 625 7.160 -35.819 14.418 1.00 42.54 C ATOM 1289 CG TYR A 625 8.676 -35.618 14.455 1.00 25.34 C ATOM 1290 CD1 TYR A 625 9.518 -36.711 14.407 1.00 2.12 C ATOM 1291 CD2 TYR A 625 9.203 -34.345 14.538 1.00 54.04 C ATOM 1292 CE1 TYR A 625 10.945 -36.522 14.443 1.00 64.43 C ATOM 1293 CE2 TYR A 625 10.630 -34.157 14.573 1.00 12.52 C ATOM 1294 CZ TYR A 625 11.431 -35.255 14.524 1.00 13.40 C ATOM 1295 OH TYR A 625 12.779 -35.077 14.558 1.00 54.44 O ATOM 0 H TYR A 625 5.228 -36.049 16.099 1.00 23.41 H new ATOM 0 HA TYR A 625 6.708 -37.964 14.354 1.00 44.13 H new ATOM 0 HB2 TYR A 625 6.825 -35.790 13.381 1.00 42.54 H new ATOM 0 HB3 TYR A 625 6.681 -34.985 14.931 1.00 42.54 H new ATOM 0 HD1 TYR A 625 9.107 -37.707 14.342 1.00 2.12 H new ATOM 0 HD2 TYR A 625 8.545 -33.490 14.577 1.00 54.04 H new ATOM 0 HE1 TYR A 625 11.615 -37.368 14.406 1.00 64.43 H new ATOM 0 HE2 TYR A 625 11.055 -33.166 14.637 1.00 12.52 H new ATOM 0 HH TYR A 625 12.981 -34.120 14.615 1.00 54.44 H new ATOM 1305 N LYS A 626 8.115 -38.704 16.191 1.00 1.32 N ATOM 1306 CA LYS A 626 9.011 -39.172 17.235 1.00 32.21 C ATOM 1307 C LYS A 626 8.289 -39.117 18.583 1.00 71.21 C ATOM 1308 O LYS A 626 8.929 -39.064 19.632 1.00 33.11 O ATOM 1309 CB LYS A 626 10.323 -38.386 17.208 1.00 40.02 C ATOM 1310 CG LYS A 626 11.357 -39.076 16.316 1.00 62.20 C ATOM 1311 CD LYS A 626 11.600 -40.516 16.772 1.00 65.30 C ATOM 1312 CE LYS A 626 11.518 -40.630 18.295 1.00 22.35 C ATOM 1313 NZ LYS A 626 12.568 -39.805 18.934 1.00 34.13 N ATOM 0 H LYS A 626 7.916 -39.388 15.461 1.00 1.32 H new ATOM 0 HA LYS A 626 9.286 -40.212 17.062 1.00 32.21 H new ATOM 0 HB2 LYS A 626 10.138 -37.376 16.843 1.00 40.02 H new ATOM 0 HB3 LYS A 626 10.716 -38.292 18.220 1.00 40.02 H new ATOM 0 HG2 LYS A 626 11.012 -39.071 15.282 1.00 62.20 H new ATOM 0 HG3 LYS A 626 12.294 -38.520 16.342 1.00 62.20 H new ATOM 0 HD2 LYS A 626 10.863 -41.175 16.314 1.00 65.30 H new ATOM 0 HD3 LYS A 626 12.580 -40.849 16.431 1.00 65.30 H new ATOM 0 HE2 LYS A 626 10.535 -40.307 18.637 1.00 22.35 H new ATOM 0 HE3 LYS A 626 11.633 -41.672 18.594 1.00 22.35 H new ATOM 0 HZ1 LYS A 626 13.188 -40.414 19.505 1.00 34.13 H new ATOM 0 HZ2 LYS A 626 13.130 -39.329 18.200 1.00 34.13 H new ATOM 0 HZ3 LYS A 626 12.124 -39.092 19.547 1.00 34.13 H new ATOM 1326 N SER A 627 6.966 -39.132 18.511 1.00 40.14 N ATOM 1327 CA SER A 627 6.150 -39.084 19.712 1.00 23.41 C ATOM 1328 C SER A 627 5.962 -37.633 20.159 1.00 35.54 C ATOM 1329 O SER A 627 6.039 -37.332 21.349 1.00 12.14 O ATOM 1330 CB SER A 627 6.778 -39.909 20.837 1.00 24.32 C ATOM 1331 OG SER A 627 7.655 -39.129 21.646 1.00 15.01 O ATOM 0 H SER A 627 6.439 -39.177 17.639 1.00 40.14 H new ATOM 0 HA SER A 627 5.176 -39.515 19.482 1.00 23.41 H new ATOM 0 HB2 SER A 627 5.990 -40.331 21.460 1.00 24.32 H new ATOM 0 HB3 SER A 627 7.329 -40.746 20.408 1.00 24.32 H new ATOM 0 HG SER A 627 8.528 -39.058 21.207 1.00 15.01 H new ATOM 1337 N VAL A 628 5.718 -36.773 19.182 1.00 74.44 N ATOM 1338 CA VAL A 628 5.517 -35.361 19.460 1.00 62.34 C ATOM 1339 C VAL A 628 4.193 -34.907 18.842 1.00 31.42 C ATOM 1340 O VAL A 628 4.053 -34.871 17.621 1.00 64.53 O ATOM 1341 CB VAL A 628 6.717 -34.554 18.960 1.00 23.23 C ATOM 1342 CG1 VAL A 628 6.432 -33.052 19.022 1.00 72.44 C ATOM 1343 CG2 VAL A 628 7.980 -34.905 19.749 1.00 4.03 C ATOM 0 H VAL A 628 5.655 -37.027 18.196 1.00 74.44 H new ATOM 0 HA VAL A 628 5.450 -35.189 20.534 1.00 62.34 H new ATOM 0 HB VAL A 628 6.888 -34.820 17.917 1.00 23.23 H new ATOM 0 HG11 VAL A 628 7.301 -32.502 18.661 1.00 72.44 H new ATOM 0 HG12 VAL A 628 5.570 -32.819 18.397 1.00 72.44 H new ATOM 0 HG13 VAL A 628 6.222 -32.764 20.052 1.00 72.44 H new ATOM 0 HG21 VAL A 628 8.818 -34.318 19.374 1.00 4.03 H new ATOM 0 HG22 VAL A 628 7.824 -34.681 20.804 1.00 4.03 H new ATOM 0 HG23 VAL A 628 8.199 -35.966 19.632 1.00 4.03 H new ATOM 1353 N LYS A 629 3.254 -34.572 19.715 1.00 61.11 N ATOM 1354 CA LYS A 629 1.946 -34.122 19.271 1.00 51.11 C ATOM 1355 C LYS A 629 2.102 -32.829 18.467 1.00 72.50 C ATOM 1356 O LYS A 629 2.210 -31.747 19.040 1.00 12.35 O ATOM 1357 CB LYS A 629 0.991 -33.995 20.459 1.00 31.45 C ATOM 1358 CG LYS A 629 0.795 -35.346 21.152 1.00 41.23 C ATOM 1359 CD LYS A 629 -0.119 -36.256 20.329 1.00 22.20 C ATOM 1360 CE LYS A 629 -1.591 -35.908 20.559 1.00 42.31 C ATOM 1361 NZ LYS A 629 -2.138 -36.689 21.690 1.00 22.44 N ATOM 0 H LYS A 629 3.373 -34.603 20.728 1.00 61.11 H new ATOM 0 HA LYS A 629 1.495 -34.859 18.607 1.00 51.11 H new ATOM 0 HB2 LYS A 629 1.386 -33.271 21.172 1.00 31.45 H new ATOM 0 HB3 LYS A 629 0.028 -33.614 20.117 1.00 31.45 H new ATOM 0 HG2 LYS A 629 1.762 -35.829 21.295 1.00 41.23 H new ATOM 0 HG3 LYS A 629 0.365 -35.192 22.142 1.00 41.23 H new ATOM 0 HD2 LYS A 629 0.121 -36.157 19.270 1.00 22.20 H new ATOM 0 HD3 LYS A 629 0.059 -37.297 20.600 1.00 22.20 H new ATOM 0 HE2 LYS A 629 -1.691 -34.842 20.764 1.00 42.31 H new ATOM 0 HE3 LYS A 629 -2.165 -36.114 19.656 1.00 42.31 H new ATOM 0 HZ1 LYS A 629 -3.138 -36.440 21.832 1.00 22.44 H new ATOM 0 HZ2 LYS A 629 -2.060 -37.705 21.480 1.00 22.44 H new ATOM 0 HZ3 LYS A 629 -1.601 -36.472 22.554 1.00 22.44 H new ATOM 1374 N LEU A 630 2.109 -32.986 17.151 1.00 14.23 N ATOM 1375 CA LEU A 630 2.250 -31.845 16.263 1.00 54.22 C ATOM 1376 C LEU A 630 1.091 -31.836 15.264 1.00 52.42 C ATOM 1377 O LEU A 630 1.001 -32.710 14.404 1.00 61.24 O ATOM 1378 CB LEU A 630 3.630 -31.847 15.603 1.00 1.53 C ATOM 1379 CG LEU A 630 4.818 -31.591 16.533 1.00 21.42 C ATOM 1380 CD1 LEU A 630 6.144 -31.819 15.804 1.00 33.34 C ATOM 1381 CD2 LEU A 630 4.738 -30.195 17.154 1.00 21.55 C ATOM 0 H LEU A 630 2.019 -33.886 16.679 1.00 14.23 H new ATOM 0 HA LEU A 630 2.193 -30.914 16.827 1.00 54.22 H new ATOM 0 HB2 LEU A 630 3.777 -32.811 15.116 1.00 1.53 H new ATOM 0 HB3 LEU A 630 3.637 -31.089 14.819 1.00 1.53 H new ATOM 0 HG LEU A 630 4.772 -32.310 17.351 1.00 21.42 H new ATOM 0 HD11 LEU A 630 6.972 -31.630 16.487 1.00 33.34 H new ATOM 0 HD12 LEU A 630 6.193 -32.849 15.451 1.00 33.34 H new ATOM 0 HD13 LEU A 630 6.213 -31.140 14.954 1.00 33.34 H new ATOM 0 HD21 LEU A 630 5.594 -30.039 17.810 1.00 21.55 H new ATOM 0 HD22 LEU A 630 4.745 -29.444 16.364 1.00 21.55 H new ATOM 0 HD23 LEU A 630 3.818 -30.106 17.731 1.00 21.55 H new ATOM 1393 N PRO A 631 0.210 -30.811 15.415 1.00 52.42 N ATOM 1394 CA PRO A 631 -0.940 -30.676 14.536 1.00 5.02 C ATOM 1395 C PRO A 631 -0.519 -30.158 13.159 1.00 15.22 C ATOM 1396 O PRO A 631 0.571 -29.610 13.004 1.00 21.52 O ATOM 1397 CB PRO A 631 -1.883 -29.732 15.264 1.00 44.21 C ATOM 1398 CG PRO A 631 -1.034 -29.010 16.298 1.00 42.12 C ATOM 1399 CD PRO A 631 0.284 -29.757 16.422 1.00 3.53 C ATOM 0 HA PRO A 631 -1.430 -31.629 14.334 1.00 5.02 H new ATOM 0 HB2 PRO A 631 -2.340 -29.025 14.571 1.00 44.21 H new ATOM 0 HB3 PRO A 631 -2.695 -30.282 15.740 1.00 44.21 H new ATOM 0 HG2 PRO A 631 -0.861 -27.977 15.996 1.00 42.12 H new ATOM 0 HG3 PRO A 631 -1.547 -28.979 17.259 1.00 42.12 H new ATOM 0 HD2 PRO A 631 1.132 -29.096 16.242 1.00 3.53 H new ATOM 0 HD3 PRO A 631 0.411 -30.173 17.422 1.00 3.53 H new ATOM 1407 N VAL A 632 -1.407 -30.349 12.194 1.00 13.45 N ATOM 1408 CA VAL A 632 -1.142 -29.907 10.836 1.00 74.23 C ATOM 1409 C VAL A 632 -2.382 -29.202 10.282 1.00 12.14 C ATOM 1410 O VAL A 632 -3.349 -29.854 9.890 1.00 45.00 O ATOM 1411 CB VAL A 632 -0.696 -31.093 9.978 1.00 74.12 C ATOM 1412 CG1 VAL A 632 -0.225 -30.626 8.599 1.00 2.14 C ATOM 1413 CG2 VAL A 632 0.393 -31.902 10.685 1.00 75.41 C ATOM 0 H VAL A 632 -2.310 -30.804 12.326 1.00 13.45 H new ATOM 0 HA VAL A 632 -0.325 -29.186 10.822 1.00 74.23 H new ATOM 0 HB VAL A 632 -1.557 -31.745 9.834 1.00 74.12 H new ATOM 0 HG11 VAL A 632 0.086 -31.488 8.010 1.00 2.14 H new ATOM 0 HG12 VAL A 632 -1.042 -30.114 8.090 1.00 2.14 H new ATOM 0 HG13 VAL A 632 0.616 -29.942 8.714 1.00 2.14 H new ATOM 0 HG21 VAL A 632 0.692 -32.739 10.054 1.00 75.41 H new ATOM 0 HG22 VAL A 632 1.256 -31.263 10.874 1.00 75.41 H new ATOM 0 HG23 VAL A 632 0.008 -32.281 11.632 1.00 75.41 H new ATOM 1423 N LEU A 633 -2.314 -27.879 10.269 1.00 53.23 N ATOM 1424 CA LEU A 633 -3.419 -27.078 9.770 1.00 54.20 C ATOM 1425 C LEU A 633 -3.132 -26.664 8.325 1.00 13.13 C ATOM 1426 O LEU A 633 -2.033 -26.884 7.819 1.00 21.24 O ATOM 1427 CB LEU A 633 -3.691 -25.898 10.705 1.00 3.24 C ATOM 1428 CG LEU A 633 -3.648 -26.206 12.203 1.00 2.25 C ATOM 1429 CD1 LEU A 633 -3.936 -27.685 12.468 1.00 51.15 C ATOM 1430 CD2 LEU A 633 -2.318 -25.763 12.816 1.00 2.24 C ATOM 0 H LEU A 633 -1.511 -27.342 10.596 1.00 53.23 H new ATOM 0 HA LEU A 633 -4.338 -27.664 9.758 1.00 54.20 H new ATOM 0 HB2 LEU A 633 -2.961 -25.117 10.494 1.00 3.24 H new ATOM 0 HB3 LEU A 633 -4.673 -25.490 10.466 1.00 3.24 H new ATOM 0 HG LEU A 633 -4.435 -25.632 12.692 1.00 2.25 H new ATOM 0 HD11 LEU A 633 -3.899 -27.876 13.540 1.00 51.15 H new ATOM 0 HD12 LEU A 633 -4.926 -27.937 12.088 1.00 51.15 H new ATOM 0 HD13 LEU A 633 -3.188 -28.297 11.964 1.00 51.15 H new ATOM 0 HD21 LEU A 633 -2.314 -25.993 13.881 1.00 2.24 H new ATOM 0 HD22 LEU A 633 -1.499 -26.290 12.327 1.00 2.24 H new ATOM 0 HD23 LEU A 633 -2.193 -24.689 12.677 1.00 2.24 H new ATOM 1442 N LYS A 634 -4.140 -26.072 7.702 1.00 51.43 N ATOM 1443 CA LYS A 634 -4.010 -25.625 6.325 1.00 2.12 C ATOM 1444 C LYS A 634 -3.873 -24.101 6.299 1.00 74.33 C ATOM 1445 O LYS A 634 -3.756 -23.467 7.346 1.00 40.31 O ATOM 1446 CB LYS A 634 -5.169 -26.153 5.478 1.00 34.34 C ATOM 1447 CG LYS A 634 -5.739 -27.443 6.072 1.00 23.43 C ATOM 1448 CD LYS A 634 -6.988 -27.892 5.312 1.00 72.31 C ATOM 1449 CE LYS A 634 -8.180 -26.988 5.633 1.00 22.12 C ATOM 1450 NZ LYS A 634 -8.930 -27.513 6.796 1.00 1.01 N ATOM 0 H LYS A 634 -5.050 -25.891 8.125 1.00 51.43 H new ATOM 0 HA LYS A 634 -3.105 -26.035 5.875 1.00 2.12 H new ATOM 0 HB2 LYS A 634 -5.953 -25.399 5.418 1.00 34.34 H new ATOM 0 HB3 LYS A 634 -4.826 -26.338 4.460 1.00 34.34 H new ATOM 0 HG2 LYS A 634 -4.985 -28.229 6.035 1.00 23.43 H new ATOM 0 HG3 LYS A 634 -5.985 -27.286 7.122 1.00 23.43 H new ATOM 0 HD2 LYS A 634 -6.792 -27.874 4.240 1.00 72.31 H new ATOM 0 HD3 LYS A 634 -7.227 -28.922 5.575 1.00 72.31 H new ATOM 0 HE2 LYS A 634 -7.831 -25.977 5.844 1.00 22.12 H new ATOM 0 HE3 LYS A 634 -8.839 -26.923 4.767 1.00 22.12 H new ATOM 0 HZ1 LYS A 634 -9.904 -27.736 6.509 1.00 1.01 H new ATOM 0 HZ2 LYS A 634 -8.466 -28.375 7.148 1.00 1.01 H new ATOM 0 HZ3 LYS A 634 -8.947 -26.797 7.550 1.00 1.01 H new ATOM 1463 N VAL A 635 -3.893 -23.558 5.090 1.00 33.24 N ATOM 1464 CA VAL A 635 -3.773 -22.121 4.914 1.00 53.12 C ATOM 1465 C VAL A 635 -5.119 -21.553 4.460 1.00 74.14 C ATOM 1466 O VAL A 635 -5.323 -20.340 4.476 1.00 61.10 O ATOM 1467 CB VAL A 635 -2.634 -21.806 3.943 1.00 65.44 C ATOM 1468 CG1 VAL A 635 -3.036 -22.129 2.502 1.00 23.33 C ATOM 1469 CG2 VAL A 635 -2.188 -20.349 4.074 1.00 1.30 C ATOM 0 H VAL A 635 -3.990 -24.087 4.224 1.00 33.24 H new ATOM 0 HA VAL A 635 -3.519 -21.641 5.859 1.00 53.12 H new ATOM 0 HB VAL A 635 -1.787 -22.440 4.205 1.00 65.44 H new ATOM 0 HG11 VAL A 635 -2.208 -21.896 1.832 1.00 23.33 H new ATOM 0 HG12 VAL A 635 -3.281 -23.188 2.421 1.00 23.33 H new ATOM 0 HG13 VAL A 635 -3.906 -21.533 2.225 1.00 23.33 H new ATOM 0 HG21 VAL A 635 -1.377 -20.152 3.372 1.00 1.30 H new ATOM 0 HG22 VAL A 635 -3.028 -19.690 3.852 1.00 1.30 H new ATOM 0 HG23 VAL A 635 -1.841 -20.165 5.091 1.00 1.30 H new ATOM 1479 N ARG A 636 -6.004 -22.457 4.065 1.00 60.11 N ATOM 1480 CA ARG A 636 -7.325 -22.061 3.607 1.00 30.40 C ATOM 1481 C ARG A 636 -8.243 -21.794 4.802 1.00 61.34 C ATOM 1482 O ARG A 636 -9.084 -20.898 4.754 1.00 31.14 O ATOM 1483 CB ARG A 636 -7.949 -23.144 2.725 1.00 74.41 C ATOM 1484 CG ARG A 636 -8.193 -24.428 3.522 1.00 52.51 C ATOM 1485 CD ARG A 636 -8.165 -25.654 2.608 1.00 20.30 C ATOM 1486 NE ARG A 636 -9.532 -25.964 2.135 1.00 75.43 N ATOM 1487 CZ ARG A 636 -10.095 -25.418 1.036 1.00 60.44 C ATOM 1488 NH1 ARG A 636 -9.411 -24.528 0.286 1.00 65.51 N ATOM 1489 NH2 ARG A 636 -11.324 -25.768 0.705 1.00 12.30 N ATOM 0 H ARG A 636 -5.832 -23.462 4.053 1.00 60.11 H new ATOM 0 HA ARG A 636 -7.213 -21.150 3.020 1.00 30.40 H new ATOM 0 HB2 ARG A 636 -8.891 -22.784 2.312 1.00 74.41 H new ATOM 0 HB3 ARG A 636 -7.291 -23.355 1.882 1.00 74.41 H new ATOM 0 HG2 ARG A 636 -7.433 -24.530 4.296 1.00 52.51 H new ATOM 0 HG3 ARG A 636 -9.157 -24.369 4.028 1.00 52.51 H new ATOM 0 HD2 ARG A 636 -7.510 -25.468 1.757 1.00 20.30 H new ATOM 0 HD3 ARG A 636 -7.755 -26.509 3.145 1.00 20.30 H new ATOM 0 HE ARG A 636 -10.084 -26.632 2.673 1.00 75.43 H new ATOM 0 HH11 ARG A 636 -8.461 -24.263 0.548 1.00 65.51 H new ATOM 0 HH12 ARG A 636 -9.844 -24.120 -0.543 1.00 65.51 H new ATOM 0 HH21 ARG A 636 -11.834 -26.442 1.277 1.00 12.30 H new ATOM 0 HH22 ARG A 636 -11.764 -25.365 -0.122 1.00 12.30 H new ATOM 1502 N SER A 637 -8.050 -22.589 5.844 1.00 12.54 N ATOM 1503 CA SER A 637 -8.850 -22.449 7.049 1.00 33.13 C ATOM 1504 C SER A 637 -8.180 -21.466 8.012 1.00 73.15 C ATOM 1505 O SER A 637 -8.763 -21.093 9.029 1.00 44.13 O ATOM 1506 CB SER A 637 -9.058 -23.802 7.732 1.00 22.33 C ATOM 1507 OG SER A 637 -10.280 -23.849 8.464 1.00 24.12 O ATOM 0 H SER A 637 -7.352 -23.332 5.879 1.00 12.54 H new ATOM 0 HA SER A 637 -9.828 -22.060 6.766 1.00 33.13 H new ATOM 0 HB2 SER A 637 -9.055 -24.592 6.981 1.00 22.33 H new ATOM 0 HB3 SER A 637 -8.224 -24.000 8.406 1.00 22.33 H new ATOM 0 HG SER A 637 -10.943 -23.272 8.031 1.00 24.12 H new ATOM 1513 N MET A 638 -6.965 -21.075 7.656 1.00 55.30 N ATOM 1514 CA MET A 638 -6.210 -20.142 8.475 1.00 21.21 C ATOM 1515 C MET A 638 -6.086 -18.782 7.785 1.00 24.31 C ATOM 1516 O MET A 638 -5.614 -18.698 6.652 1.00 4.34 O ATOM 1517 CB MET A 638 -4.814 -20.710 8.740 1.00 71.11 C ATOM 1518 CG MET A 638 -4.886 -21.945 9.641 1.00 53.33 C ATOM 1519 SD MET A 638 -5.347 -21.466 11.297 1.00 4.44 S ATOM 1520 CE MET A 638 -6.922 -22.294 11.433 1.00 23.34 C ATOM 0 H MET A 638 -6.485 -21.387 6.812 1.00 55.30 H new ATOM 0 HA MET A 638 -6.740 -20.003 9.417 1.00 21.21 H new ATOM 0 HB2 MET A 638 -4.339 -20.972 7.795 1.00 71.11 H new ATOM 0 HB3 MET A 638 -4.191 -19.949 9.210 1.00 71.11 H new ATOM 0 HG2 MET A 638 -5.612 -22.654 9.243 1.00 53.33 H new ATOM 0 HG3 MET A 638 -3.921 -22.452 9.655 1.00 53.33 H new ATOM 0 HE1 MET A 638 -7.521 -21.812 12.206 1.00 23.34 H new ATOM 0 HE2 MET A 638 -7.447 -22.237 10.479 1.00 23.34 H new ATOM 0 HE3 MET A 638 -6.762 -23.339 11.697 1.00 23.34 H new ATOM 1530 N LEU A 639 -6.517 -17.752 8.497 1.00 54.30 N ATOM 1531 CA LEU A 639 -6.460 -16.400 7.967 1.00 14.23 C ATOM 1532 C LEU A 639 -5.242 -15.680 8.548 1.00 2.04 C ATOM 1533 O LEU A 639 -4.902 -15.870 9.715 1.00 31.02 O ATOM 1534 CB LEU A 639 -7.782 -15.670 8.217 1.00 71.55 C ATOM 1535 CG LEU A 639 -8.203 -14.661 7.147 1.00 74.14 C ATOM 1536 CD1 LEU A 639 -9.723 -14.652 6.969 1.00 21.32 C ATOM 1537 CD2 LEU A 639 -7.655 -13.268 7.461 1.00 41.10 C ATOM 0 H LEU A 639 -6.907 -17.826 9.436 1.00 54.30 H new ATOM 0 HA LEU A 639 -6.333 -16.421 6.885 1.00 14.23 H new ATOM 0 HB2 LEU A 639 -8.572 -16.414 8.317 1.00 71.55 H new ATOM 0 HB3 LEU A 639 -7.712 -15.149 9.172 1.00 71.55 H new ATOM 0 HG LEU A 639 -7.769 -14.971 6.196 1.00 74.14 H new ATOM 0 HD11 LEU A 639 -9.995 -13.926 6.203 1.00 21.32 H new ATOM 0 HD12 LEU A 639 -10.060 -15.643 6.666 1.00 21.32 H new ATOM 0 HD13 LEU A 639 -10.198 -14.380 7.912 1.00 21.32 H new ATOM 0 HD21 LEU A 639 -7.969 -12.570 6.685 1.00 41.10 H new ATOM 0 HD22 LEU A 639 -8.039 -12.935 8.425 1.00 41.10 H new ATOM 0 HD23 LEU A 639 -6.566 -13.305 7.497 1.00 41.10 H new ATOM 1549 N LEU A 640 -4.617 -14.868 7.708 1.00 72.53 N ATOM 1550 CA LEU A 640 -3.444 -14.119 8.123 1.00 24.33 C ATOM 1551 C LEU A 640 -3.819 -12.646 8.296 1.00 71.12 C ATOM 1552 O LEU A 640 -4.246 -11.995 7.344 1.00 42.14 O ATOM 1553 CB LEU A 640 -2.288 -14.349 7.147 1.00 20.13 C ATOM 1554 CG LEU A 640 -1.689 -15.757 7.136 1.00 35.22 C ATOM 1555 CD1 LEU A 640 -1.882 -16.445 8.489 1.00 63.40 C ATOM 1556 CD2 LEU A 640 -2.261 -16.587 5.985 1.00 52.23 C ATOM 0 H LEU A 640 -4.902 -14.713 6.741 1.00 72.53 H new ATOM 0 HA LEU A 640 -3.089 -14.473 9.091 1.00 24.33 H new ATOM 0 HB2 LEU A 640 -2.636 -14.116 6.141 1.00 20.13 H new ATOM 0 HB3 LEU A 640 -1.494 -13.640 7.382 1.00 20.13 H new ATOM 0 HG LEU A 640 -0.615 -15.670 6.968 1.00 35.22 H new ATOM 0 HD11 LEU A 640 -1.447 -17.444 8.454 1.00 63.40 H new ATOM 0 HD12 LEU A 640 -1.390 -15.862 9.267 1.00 63.40 H new ATOM 0 HD13 LEU A 640 -2.947 -16.520 8.711 1.00 63.40 H new ATOM 0 HD21 LEU A 640 -1.819 -17.583 6.000 1.00 52.23 H new ATOM 0 HD22 LEU A 640 -3.342 -16.668 6.097 1.00 52.23 H new ATOM 0 HD23 LEU A 640 -2.030 -16.102 5.037 1.00 52.23 H new ATOM 1568 N GLU A 641 -3.647 -12.164 9.518 1.00 44.33 N ATOM 1569 CA GLU A 641 -3.962 -10.780 9.827 1.00 0.53 C ATOM 1570 C GLU A 641 -2.734 -9.894 9.608 1.00 1.45 C ATOM 1571 O GLU A 641 -1.655 -10.185 10.122 1.00 44.24 O ATOM 1572 CB GLU A 641 -4.488 -10.644 11.257 1.00 12.34 C ATOM 1573 CG GLU A 641 -6.013 -10.520 11.271 1.00 11.22 C ATOM 1574 CD GLU A 641 -6.531 -10.278 12.691 1.00 43.34 C ATOM 1575 OE1 GLU A 641 -7.743 -10.373 12.933 1.00 51.21 O ATOM 1576 OE2 GLU A 641 -5.623 -9.982 13.559 1.00 75.42 O ATOM 0 H GLU A 641 -3.294 -12.707 10.306 1.00 44.33 H new ATOM 0 HA GLU A 641 -4.750 -10.448 9.151 1.00 0.53 H new ATOM 0 HB2 GLU A 641 -4.185 -11.511 11.844 1.00 12.34 H new ATOM 0 HB3 GLU A 641 -4.044 -9.768 11.730 1.00 12.34 H new ATOM 0 HG2 GLU A 641 -6.321 -9.699 10.623 1.00 11.22 H new ATOM 0 HG3 GLU A 641 -6.459 -11.429 10.867 1.00 11.22 H new ATOM 1584 N THR A 642 -2.940 -8.830 8.846 1.00 44.21 N ATOM 1585 CA THR A 642 -1.862 -7.900 8.553 1.00 55.51 C ATOM 1586 C THR A 642 -2.379 -6.460 8.582 1.00 2.44 C ATOM 1587 O THR A 642 -3.581 -6.225 8.470 1.00 41.11 O ATOM 1588 CB THR A 642 -1.247 -8.297 7.210 1.00 42.11 C ATOM 1589 OG1 THR A 642 -1.898 -7.452 6.266 1.00 54.24 O ATOM 1590 CG2 THR A 642 -1.643 -9.711 6.780 1.00 45.13 C ATOM 0 H THR A 642 -3.837 -8.591 8.423 1.00 44.21 H new ATOM 0 HA THR A 642 -1.081 -7.948 9.311 1.00 55.51 H new ATOM 0 HB THR A 642 -0.161 -8.228 7.274 1.00 42.11 H new ATOM 0 HG1 THR A 642 -2.708 -7.894 5.936 1.00 54.24 H new ATOM 0 HG21 THR A 642 -1.180 -9.943 5.821 1.00 45.13 H new ATOM 0 HG22 THR A 642 -1.305 -10.427 7.529 1.00 45.13 H new ATOM 0 HG23 THR A 642 -2.727 -9.772 6.684 1.00 45.13 H new ATOM 1598 N PRO A 643 -1.420 -5.508 8.738 1.00 25.33 N ATOM 1599 CA PRO A 643 -1.765 -4.098 8.784 1.00 1.30 C ATOM 1600 C PRO A 643 -2.109 -3.572 7.389 1.00 44.21 C ATOM 1601 O PRO A 643 -2.392 -2.387 7.221 1.00 53.22 O ATOM 1602 CB PRO A 643 -0.551 -3.415 9.394 1.00 75.11 C ATOM 1603 CG PRO A 643 0.600 -4.395 9.238 1.00 42.24 C ATOM 1604 CD PRO A 643 0.014 -5.749 8.875 1.00 71.33 C ATOM 0 HA PRO A 643 -2.656 -3.902 9.380 1.00 1.30 H new ATOM 0 HB2 PRO A 643 -0.335 -2.475 8.886 1.00 75.11 H new ATOM 0 HB3 PRO A 643 -0.723 -3.178 10.444 1.00 75.11 H new ATOM 0 HG2 PRO A 643 1.287 -4.056 8.463 1.00 42.24 H new ATOM 0 HG3 PRO A 643 1.172 -4.462 10.163 1.00 42.24 H new ATOM 0 HD2 PRO A 643 0.442 -6.130 7.948 1.00 71.33 H new ATOM 0 HD3 PRO A 643 0.219 -6.489 9.648 1.00 71.33 H new ATOM 1612 N GLN A 644 -2.072 -4.479 6.424 1.00 51.11 N ATOM 1613 CA GLN A 644 -2.376 -4.121 5.049 1.00 74.32 C ATOM 1614 C GLN A 644 -3.740 -4.683 4.644 1.00 75.44 C ATOM 1615 O GLN A 644 -4.262 -4.350 3.581 1.00 54.01 O ATOM 1616 CB GLN A 644 -1.279 -4.608 4.100 1.00 31.02 C ATOM 1617 CG GLN A 644 0.108 -4.379 4.703 1.00 43.51 C ATOM 1618 CD GLN A 644 1.207 -4.684 3.683 1.00 73.54 C ATOM 1619 OE1 GLN A 644 1.801 -5.860 3.864 1.00 25.41 O flip ATOM 1620 NE2 GLN A 644 1.495 -3.904 2.790 1.00 60.43 N flip ATOM 0 H GLN A 644 -1.836 -5.461 6.567 1.00 51.11 H new ATOM 0 HA GLN A 644 -2.416 -3.034 4.977 1.00 74.32 H new ATOM 0 HB2 GLN A 644 -1.418 -5.669 3.891 1.00 31.02 H new ATOM 0 HB3 GLN A 644 -1.357 -4.083 3.148 1.00 31.02 H new ATOM 0 HG2 GLN A 644 0.196 -3.346 5.040 1.00 43.51 H new ATOM 0 HG3 GLN A 644 0.236 -5.012 5.581 1.00 43.51 H new ATOM 0 HE21 GLN A 644 0.999 -3.017 2.708 1.00 60.43 H new ATOM 0 HE22 GLN A 644 2.232 -4.139 2.125 1.00 60.43 H new ATOM 1629 N GLY A 645 -4.279 -5.527 5.512 1.00 11.31 N ATOM 1630 CA GLY A 645 -5.572 -6.138 5.258 1.00 74.21 C ATOM 1631 C GLY A 645 -5.483 -7.664 5.338 1.00 40.52 C ATOM 1632 O GLY A 645 -4.481 -8.252 4.935 1.00 61.13 O ATOM 0 H GLY A 645 -3.843 -5.802 6.392 1.00 11.31 H new ATOM 0 HA2 GLY A 645 -6.299 -5.774 5.984 1.00 74.21 H new ATOM 0 HA3 GLY A 645 -5.931 -5.842 4.272 1.00 74.21 H new ATOM 1636 N ARG A 646 -6.544 -8.260 5.861 1.00 72.04 N ATOM 1637 CA ARG A 646 -6.598 -9.706 5.998 1.00 11.55 C ATOM 1638 C ARG A 646 -6.244 -10.379 4.671 1.00 54.10 C ATOM 1639 O ARG A 646 -6.486 -9.819 3.603 1.00 53.21 O ATOM 1640 CB ARG A 646 -7.989 -10.165 6.441 1.00 62.11 C ATOM 1641 CG ARG A 646 -8.088 -10.222 7.967 1.00 63.33 C ATOM 1642 CD ARG A 646 -9.540 -10.400 8.416 1.00 45.32 C ATOM 1643 NE ARG A 646 -10.359 -9.263 7.940 1.00 1.21 N ATOM 1644 CZ ARG A 646 -11.708 -9.267 7.900 1.00 53.10 C ATOM 1645 NH1 ARG A 646 -12.403 -10.351 8.308 1.00 44.44 N ATOM 1646 NH2 ARG A 646 -12.339 -8.196 7.456 1.00 43.50 N ATOM 0 H ARG A 646 -7.373 -7.768 6.195 1.00 72.04 H new ATOM 0 HA ARG A 646 -5.873 -9.995 6.759 1.00 11.55 H new ATOM 0 HB2 ARG A 646 -8.743 -9.482 6.049 1.00 62.11 H new ATOM 0 HB3 ARG A 646 -8.202 -11.149 6.022 1.00 62.11 H new ATOM 0 HG2 ARG A 646 -7.483 -11.047 8.344 1.00 63.33 H new ATOM 0 HG3 ARG A 646 -7.681 -9.306 8.396 1.00 63.33 H new ATOM 0 HD2 ARG A 646 -9.939 -11.336 8.024 1.00 45.32 H new ATOM 0 HD3 ARG A 646 -9.588 -10.464 9.503 1.00 45.32 H new ATOM 0 HE ARG A 646 -9.874 -8.424 7.622 1.00 1.21 H new ATOM 0 HH11 ARG A 646 -11.908 -11.175 8.650 1.00 44.44 H new ATOM 0 HH12 ARG A 646 -13.422 -10.346 8.274 1.00 44.44 H new ATOM 0 HH21 ARG A 646 -11.807 -7.381 7.149 1.00 43.50 H new ATOM 0 HH22 ARG A 646 -13.358 -8.183 7.419 1.00 43.50 H new ATOM 1659 N ILE A 647 -5.677 -11.571 4.782 1.00 74.35 N ATOM 1660 CA ILE A 647 -5.288 -12.327 3.603 1.00 1.11 C ATOM 1661 C ILE A 647 -5.690 -13.792 3.786 1.00 5.12 C ATOM 1662 O ILE A 647 -5.240 -14.450 4.723 1.00 22.10 O ATOM 1663 CB ILE A 647 -3.800 -12.130 3.308 1.00 43.53 C ATOM 1664 CG1 ILE A 647 -3.488 -10.659 3.022 1.00 62.25 C ATOM 1665 CG2 ILE A 647 -3.340 -13.045 2.171 1.00 53.21 C ATOM 1666 CD1 ILE A 647 -2.007 -10.357 3.257 1.00 4.02 C ATOM 0 H ILE A 647 -5.478 -12.032 5.670 1.00 74.35 H new ATOM 0 HA ILE A 647 -5.816 -11.959 2.723 1.00 1.11 H new ATOM 0 HB ILE A 647 -3.235 -12.412 4.197 1.00 43.53 H new ATOM 0 HG12 ILE A 647 -3.752 -10.421 1.992 1.00 62.25 H new ATOM 0 HG13 ILE A 647 -4.099 -10.023 3.663 1.00 62.25 H new ATOM 0 HG21 ILE A 647 -2.279 -12.885 1.982 1.00 53.21 H new ATOM 0 HG22 ILE A 647 -3.506 -14.085 2.451 1.00 53.21 H new ATOM 0 HG23 ILE A 647 -3.908 -12.818 1.269 1.00 53.21 H new ATOM 0 HD11 ILE A 647 -1.812 -9.305 3.047 1.00 4.02 H new ATOM 0 HD12 ILE A 647 -1.752 -10.573 4.294 1.00 4.02 H new ATOM 0 HD13 ILE A 647 -1.400 -10.977 2.598 1.00 4.02 H new ATOM 1678 N GLN A 648 -6.532 -14.259 2.877 1.00 63.54 N ATOM 1679 CA GLN A 648 -6.999 -15.634 2.926 1.00 60.50 C ATOM 1680 C GLN A 648 -6.615 -16.372 1.642 1.00 64.21 C ATOM 1681 O GLN A 648 -7.152 -16.087 0.573 1.00 12.41 O ATOM 1682 CB GLN A 648 -8.510 -15.692 3.160 1.00 42.00 C ATOM 1683 CG GLN A 648 -8.891 -16.927 3.978 1.00 33.15 C ATOM 1684 CD GLN A 648 -9.287 -18.089 3.065 1.00 34.13 C ATOM 1685 OE1 GLN A 648 -8.442 -19.115 3.098 1.00 70.03 O flip ATOM 1686 NE2 GLN A 648 -10.294 -18.056 2.377 1.00 61.22 N flip ATOM 0 H GLN A 648 -6.903 -13.710 2.102 1.00 63.54 H new ATOM 0 HA GLN A 648 -6.515 -16.131 3.766 1.00 60.50 H new ATOM 0 HB2 GLN A 648 -8.836 -14.792 3.681 1.00 42.00 H new ATOM 0 HB3 GLN A 648 -9.029 -15.711 2.202 1.00 42.00 H new ATOM 0 HG2 GLN A 648 -8.052 -17.224 4.607 1.00 33.15 H new ATOM 0 HG3 GLN A 648 -9.719 -16.685 4.644 1.00 33.15 H new ATOM 0 HE21 GLN A 648 -10.900 -17.236 2.399 1.00 61.22 H new ATOM 0 HE22 GLN A 648 -10.530 -18.848 1.780 1.00 61.22 H new ATOM 1695 N ALA A 649 -5.687 -17.307 1.789 1.00 10.32 N ATOM 1696 CA ALA A 649 -5.224 -18.088 0.654 1.00 15.55 C ATOM 1697 C ALA A 649 -5.488 -19.571 0.920 1.00 31.02 C ATOM 1698 O ALA A 649 -5.563 -19.995 2.072 1.00 25.34 O ATOM 1699 CB ALA A 649 -3.744 -17.794 0.402 1.00 31.54 C ATOM 0 H ALA A 649 -5.243 -17.541 2.677 1.00 10.32 H new ATOM 0 HA ALA A 649 -5.769 -17.814 -0.249 1.00 15.55 H new ATOM 0 HB1 ALA A 649 -3.397 -18.380 -0.449 1.00 31.54 H new ATOM 0 HB2 ALA A 649 -3.615 -16.733 0.189 1.00 31.54 H new ATOM 0 HB3 ALA A 649 -3.165 -18.060 1.286 1.00 31.54 H new ATOM 1705 N LYS A 650 -5.622 -20.319 -0.165 1.00 72.10 N ATOM 1706 CA LYS A 650 -5.876 -21.746 -0.064 1.00 20.24 C ATOM 1707 C LYS A 650 -4.562 -22.508 -0.248 1.00 1.12 C ATOM 1708 O LYS A 650 -4.561 -23.732 -0.365 1.00 71.32 O ATOM 1709 CB LYS A 650 -6.973 -22.166 -1.044 1.00 21.30 C ATOM 1710 CG LYS A 650 -8.084 -21.116 -1.107 1.00 21.14 C ATOM 1711 CD LYS A 650 -9.413 -21.749 -1.523 1.00 54.41 C ATOM 1712 CE LYS A 650 -10.280 -20.748 -2.291 1.00 64.21 C ATOM 1713 NZ LYS A 650 -9.977 -20.805 -3.739 1.00 34.41 N ATOM 0 H LYS A 650 -5.559 -19.964 -1.119 1.00 72.10 H new ATOM 0 HA LYS A 650 -6.254 -21.996 0.927 1.00 20.24 H new ATOM 0 HB2 LYS A 650 -6.544 -22.307 -2.036 1.00 21.30 H new ATOM 0 HB3 LYS A 650 -7.391 -23.125 -0.738 1.00 21.30 H new ATOM 0 HG2 LYS A 650 -8.194 -20.638 -0.133 1.00 21.14 H new ATOM 0 HG3 LYS A 650 -7.811 -20.335 -1.816 1.00 21.14 H new ATOM 0 HD2 LYS A 650 -9.224 -22.624 -2.145 1.00 54.41 H new ATOM 0 HD3 LYS A 650 -9.948 -22.095 -0.639 1.00 54.41 H new ATOM 0 HE2 LYS A 650 -11.334 -20.969 -2.125 1.00 64.21 H new ATOM 0 HE3 LYS A 650 -10.102 -19.740 -1.915 1.00 64.21 H new ATOM 0 HZ1 LYS A 650 -10.573 -20.120 -4.246 1.00 34.41 H new ATOM 0 HZ2 LYS A 650 -8.975 -20.573 -3.893 1.00 34.41 H new ATOM 0 HZ3 LYS A 650 -10.169 -21.763 -4.096 1.00 34.41 H new ATOM 1726 N LYS A 651 -3.474 -21.751 -0.267 1.00 73.53 N ATOM 1727 CA LYS A 651 -2.156 -22.340 -0.435 1.00 54.12 C ATOM 1728 C LYS A 651 -1.137 -21.536 0.375 1.00 61.24 C ATOM 1729 O LYS A 651 -1.188 -20.307 0.399 1.00 62.53 O ATOM 1730 CB LYS A 651 -1.807 -22.457 -1.920 1.00 73.22 C ATOM 1731 CG LYS A 651 -2.356 -23.757 -2.512 1.00 35.15 C ATOM 1732 CD LYS A 651 -1.557 -24.965 -2.018 1.00 13.33 C ATOM 1733 CE LYS A 651 -0.381 -25.262 -2.950 1.00 73.41 C ATOM 1734 NZ LYS A 651 -0.807 -26.153 -4.053 1.00 40.31 N ATOM 0 H LYS A 651 -3.478 -20.736 -0.169 1.00 73.53 H new ATOM 0 HA LYS A 651 -2.141 -23.358 -0.047 1.00 54.12 H new ATOM 0 HB2 LYS A 651 -2.217 -21.605 -2.462 1.00 73.22 H new ATOM 0 HB3 LYS A 651 -0.725 -22.424 -2.047 1.00 73.22 H new ATOM 0 HG2 LYS A 651 -3.404 -23.872 -2.236 1.00 35.15 H new ATOM 0 HG3 LYS A 651 -2.316 -23.711 -3.600 1.00 35.15 H new ATOM 0 HD2 LYS A 651 -1.188 -24.774 -1.010 1.00 13.33 H new ATOM 0 HD3 LYS A 651 -2.208 -25.837 -1.959 1.00 13.33 H new ATOM 0 HE2 LYS A 651 0.012 -24.331 -3.358 1.00 73.41 H new ATOM 0 HE3 LYS A 651 0.427 -25.730 -2.388 1.00 73.41 H new ATOM 0 HZ1 LYS A 651 0.003 -26.345 -4.677 1.00 40.31 H new ATOM 0 HZ2 LYS A 651 -1.161 -27.048 -3.659 1.00 40.31 H new ATOM 0 HZ3 LYS A 651 -1.563 -25.692 -4.599 1.00 40.31 H new ATOM 1747 N TRP A 652 -0.235 -22.263 1.018 1.00 41.21 N ATOM 1748 CA TRP A 652 0.795 -21.633 1.827 1.00 51.14 C ATOM 1749 C TRP A 652 1.780 -20.941 0.883 1.00 43.05 C ATOM 1750 O TRP A 652 2.650 -20.193 1.327 1.00 51.04 O ATOM 1751 CB TRP A 652 1.466 -22.651 2.750 1.00 65.42 C ATOM 1752 CG TRP A 652 0.498 -23.376 3.687 1.00 53.14 C ATOM 1753 CD1 TRP A 652 -0.405 -24.315 3.374 1.00 72.42 C ATOM 1754 CD2 TRP A 652 0.371 -23.181 5.111 1.00 51.41 C ATOM 1755 NE1 TRP A 652 -1.102 -24.738 4.488 1.00 62.24 N ATOM 1756 CE2 TRP A 652 -0.615 -24.026 5.578 1.00 63.25 C ATOM 1757 CE3 TRP A 652 1.066 -22.318 5.976 1.00 4.14 C ATOM 1758 CZ2 TRP A 652 -0.994 -24.092 6.923 1.00 33.04 C ATOM 1759 CZ3 TRP A 652 0.675 -22.396 7.318 1.00 1.34 C ATOM 1760 CH2 TRP A 652 -0.315 -23.242 7.804 1.00 13.50 C ATOM 0 H TRP A 652 -0.196 -23.282 0.995 1.00 41.21 H new ATOM 0 HA TRP A 652 0.361 -20.883 2.488 1.00 51.14 H new ATOM 0 HB2 TRP A 652 1.987 -23.390 2.141 1.00 65.42 H new ATOM 0 HB3 TRP A 652 2.221 -22.141 3.348 1.00 65.42 H new ATOM 0 HD1 TRP A 652 -0.567 -24.693 2.376 1.00 72.42 H new ATOM 0 HE1 TRP A 652 -1.839 -25.443 4.508 1.00 62.24 H new ATOM 0 HE3 TRP A 652 1.840 -21.648 5.633 1.00 4.14 H new ATOM 0 HZ2 TRP A 652 -1.769 -24.763 7.263 1.00 33.04 H new ATOM 0 HZ3 TRP A 652 1.178 -21.754 8.026 1.00 1.34 H new ATOM 0 HH2 TRP A 652 -0.559 -23.244 8.856 1.00 13.50 H new ATOM 1771 N SER A 653 1.611 -21.215 -0.403 1.00 21.45 N ATOM 1772 CA SER A 653 2.475 -20.629 -1.413 1.00 53.31 C ATOM 1773 C SER A 653 2.264 -19.114 -1.466 1.00 62.10 C ATOM 1774 O SER A 653 3.029 -18.400 -2.113 1.00 12.34 O ATOM 1775 CB SER A 653 2.215 -21.249 -2.787 1.00 73.03 C ATOM 1776 OG SER A 653 2.388 -22.663 -2.776 1.00 32.51 O ATOM 0 H SER A 653 0.888 -21.835 -0.768 1.00 21.45 H new ATOM 0 HA SER A 653 3.510 -20.837 -1.141 1.00 53.31 H new ATOM 0 HB2 SER A 653 1.200 -21.010 -3.106 1.00 73.03 H new ATOM 0 HB3 SER A 653 2.892 -20.807 -3.518 1.00 73.03 H new ATOM 0 HG SER A 653 2.211 -23.021 -3.671 1.00 32.51 H new ATOM 1782 N ARG A 654 1.224 -18.669 -0.777 1.00 74.13 N ATOM 1783 CA ARG A 654 0.903 -17.252 -0.738 1.00 32.54 C ATOM 1784 C ARG A 654 1.260 -16.665 0.629 1.00 21.43 C ATOM 1785 O ARG A 654 1.479 -15.461 0.754 1.00 74.32 O ATOM 1786 CB ARG A 654 -0.583 -17.016 -1.014 1.00 34.44 C ATOM 1787 CG ARG A 654 -1.150 -18.102 -1.932 1.00 3.53 C ATOM 1788 CD ARG A 654 -0.334 -18.209 -3.222 1.00 1.03 C ATOM 1789 NE ARG A 654 -1.198 -18.676 -4.329 1.00 45.42 N ATOM 1790 CZ ARG A 654 -0.733 -19.221 -5.473 1.00 64.03 C ATOM 1791 NH1 ARG A 654 0.594 -19.373 -5.670 1.00 63.01 N ATOM 1792 NH2 ARG A 654 -1.595 -19.603 -6.397 1.00 21.33 N ATOM 0 H ARG A 654 0.592 -19.264 -0.241 1.00 74.13 H new ATOM 0 HA ARG A 654 1.488 -16.758 -1.514 1.00 32.54 H new ATOM 0 HB2 ARG A 654 -1.134 -17.006 -0.074 1.00 34.44 H new ATOM 0 HB3 ARG A 654 -0.720 -16.038 -1.474 1.00 34.44 H new ATOM 0 HG2 ARG A 654 -1.145 -19.061 -1.414 1.00 3.53 H new ATOM 0 HG3 ARG A 654 -2.189 -17.875 -2.172 1.00 3.53 H new ATOM 0 HD2 ARG A 654 0.098 -17.240 -3.471 1.00 1.03 H new ATOM 0 HD3 ARG A 654 0.496 -18.901 -3.081 1.00 1.03 H new ATOM 0 HE ARG A 654 -2.208 -18.580 -4.221 1.00 45.42 H new ATOM 0 HH11 ARG A 654 1.254 -19.075 -4.951 1.00 63.01 H new ATOM 0 HH12 ARG A 654 0.937 -19.786 -6.537 1.00 63.01 H new ATOM 0 HH21 ARG A 654 -2.596 -19.484 -6.241 1.00 21.33 H new ATOM 0 HH22 ARG A 654 -1.260 -20.017 -7.267 1.00 21.33 H new ATOM 1805 N VAL A 655 1.309 -17.543 1.620 1.00 34.35 N ATOM 1806 CA VAL A 655 1.636 -17.127 2.974 1.00 53.04 C ATOM 1807 C VAL A 655 2.756 -16.086 2.926 1.00 62.34 C ATOM 1808 O VAL A 655 3.862 -16.380 2.475 1.00 25.25 O ATOM 1809 CB VAL A 655 1.990 -18.348 3.826 1.00 53.45 C ATOM 1810 CG1 VAL A 655 2.920 -17.961 4.977 1.00 21.40 C ATOM 1811 CG2 VAL A 655 0.727 -19.036 4.348 1.00 62.31 C ATOM 0 H VAL A 655 1.128 -18.541 1.513 1.00 34.35 H new ATOM 0 HA VAL A 655 0.775 -16.656 3.448 1.00 53.04 H new ATOM 0 HB VAL A 655 2.520 -19.058 3.192 1.00 53.45 H new ATOM 0 HG11 VAL A 655 3.156 -18.846 5.567 1.00 21.40 H new ATOM 0 HG12 VAL A 655 3.840 -17.537 4.575 1.00 21.40 H new ATOM 0 HG13 VAL A 655 2.427 -17.224 5.611 1.00 21.40 H new ATOM 0 HG21 VAL A 655 1.006 -19.900 4.950 1.00 62.31 H new ATOM 0 HG22 VAL A 655 0.158 -18.336 4.960 1.00 62.31 H new ATOM 0 HG23 VAL A 655 0.116 -19.362 3.506 1.00 62.31 H new ATOM 1821 N PRO A 656 2.422 -14.859 3.408 1.00 22.53 N ATOM 1822 CA PRO A 656 3.387 -13.773 3.425 1.00 64.53 C ATOM 1823 C PRO A 656 4.416 -13.971 4.540 1.00 11.32 C ATOM 1824 O PRO A 656 5.609 -13.750 4.336 1.00 74.22 O ATOM 1825 CB PRO A 656 2.557 -12.512 3.598 1.00 24.01 C ATOM 1826 CG PRO A 656 1.212 -12.969 4.137 1.00 74.43 C ATOM 1827 CD PRO A 656 1.122 -14.475 3.949 1.00 32.13 C ATOM 0 HA PRO A 656 3.979 -13.721 2.511 1.00 64.53 H new ATOM 0 HB2 PRO A 656 3.039 -11.819 4.287 1.00 24.01 H new ATOM 0 HB3 PRO A 656 2.440 -11.988 2.649 1.00 24.01 H new ATOM 0 HG2 PRO A 656 1.115 -12.709 5.191 1.00 74.43 H new ATOM 0 HG3 PRO A 656 0.400 -12.469 3.610 1.00 74.43 H new ATOM 0 HD2 PRO A 656 0.921 -14.981 4.893 1.00 32.13 H new ATOM 0 HD3 PRO A 656 0.315 -14.741 3.267 1.00 32.13 H new ATOM 1835 N PHE A 657 3.916 -14.384 5.696 1.00 43.14 N ATOM 1836 CA PHE A 657 4.777 -14.613 6.844 1.00 71.53 C ATOM 1837 C PHE A 657 5.669 -15.837 6.624 1.00 2.13 C ATOM 1838 O PHE A 657 5.327 -16.728 5.848 1.00 1.14 O ATOM 1839 CB PHE A 657 3.863 -14.872 8.043 1.00 31.21 C ATOM 1840 CG PHE A 657 3.129 -16.214 7.988 1.00 1.33 C ATOM 1841 CD1 PHE A 657 3.728 -17.336 8.468 1.00 21.51 C ATOM 1842 CD2 PHE A 657 1.878 -16.283 7.460 1.00 71.32 C ATOM 1843 CE1 PHE A 657 3.047 -18.582 8.417 1.00 1.53 C ATOM 1844 CE2 PHE A 657 1.197 -17.528 7.409 1.00 31.30 C ATOM 1845 CZ PHE A 657 1.796 -18.651 7.889 1.00 72.11 C ATOM 0 H PHE A 657 2.926 -14.566 5.862 1.00 43.14 H new ATOM 0 HA PHE A 657 5.423 -13.750 7.004 1.00 71.53 H new ATOM 0 HB2 PHE A 657 4.458 -14.832 8.956 1.00 31.21 H new ATOM 0 HB3 PHE A 657 3.128 -14.070 8.106 1.00 31.21 H new ATOM 0 HD1 PHE A 657 4.721 -17.280 8.888 1.00 21.51 H new ATOM 0 HD2 PHE A 657 1.402 -15.391 7.079 1.00 71.32 H new ATOM 0 HE1 PHE A 657 3.523 -19.474 8.797 1.00 1.53 H new ATOM 0 HE2 PHE A 657 0.203 -17.583 6.989 1.00 31.30 H new ATOM 0 HZ PHE A 657 1.278 -19.598 7.851 1.00 72.11 H new ATOM 1855 N SER A 658 6.796 -15.841 7.322 1.00 53.44 N ATOM 1856 CA SER A 658 7.740 -16.940 7.213 1.00 53.12 C ATOM 1857 C SER A 658 7.348 -18.063 8.175 1.00 72.33 C ATOM 1858 O SER A 658 6.833 -17.804 9.261 1.00 13.31 O ATOM 1859 CB SER A 658 9.167 -16.470 7.499 1.00 64.23 C ATOM 1860 OG SER A 658 9.363 -15.106 7.135 1.00 24.25 O ATOM 0 H SER A 658 7.076 -15.100 7.965 1.00 53.44 H new ATOM 0 HA SER A 658 7.709 -17.318 6.191 1.00 53.12 H new ATOM 0 HB2 SER A 658 9.385 -16.597 8.559 1.00 64.23 H new ATOM 0 HB3 SER A 658 9.872 -17.096 6.952 1.00 64.23 H new ATOM 0 HG SER A 658 10.286 -14.843 7.335 1.00 24.25 H new ATOM 1866 N VAL A 659 7.607 -19.288 7.741 1.00 51.15 N ATOM 1867 CA VAL A 659 7.288 -20.452 8.550 1.00 53.05 C ATOM 1868 C VAL A 659 8.538 -21.320 8.702 1.00 4.02 C ATOM 1869 O VAL A 659 8.889 -22.075 7.797 1.00 51.24 O ATOM 1870 CB VAL A 659 6.107 -21.207 7.937 1.00 72.55 C ATOM 1871 CG1 VAL A 659 5.366 -22.022 8.999 1.00 62.11 C ATOM 1872 CG2 VAL A 659 5.155 -20.248 7.219 1.00 63.11 C ATOM 0 H VAL A 659 8.034 -19.500 6.839 1.00 51.15 H new ATOM 0 HA VAL A 659 6.979 -20.149 9.550 1.00 53.05 H new ATOM 0 HB VAL A 659 6.503 -21.902 7.197 1.00 72.55 H new ATOM 0 HG11 VAL A 659 4.531 -22.549 8.537 1.00 62.11 H new ATOM 0 HG12 VAL A 659 6.049 -22.745 9.445 1.00 62.11 H new ATOM 0 HG13 VAL A 659 4.989 -21.354 9.773 1.00 62.11 H new ATOM 0 HG21 VAL A 659 4.325 -20.811 6.793 1.00 63.11 H new ATOM 0 HG22 VAL A 659 4.770 -19.517 7.930 1.00 63.11 H new ATOM 0 HG23 VAL A 659 5.691 -19.732 6.422 1.00 63.11 H new ATOM 1882 N PRO A 660 9.194 -21.180 9.885 1.00 21.15 N ATOM 1883 CA PRO A 660 10.398 -21.942 10.169 1.00 62.45 C ATOM 1884 C PRO A 660 10.062 -23.400 10.488 1.00 72.53 C ATOM 1885 O PRO A 660 9.010 -23.688 11.056 1.00 75.40 O ATOM 1886 CB PRO A 660 11.059 -21.217 11.330 1.00 60.45 C ATOM 1887 CG PRO A 660 9.974 -20.355 11.954 1.00 2.01 C ATOM 1888 CD PRO A 660 8.808 -20.296 10.981 1.00 0.22 C ATOM 0 HA PRO A 660 11.073 -21.995 9.315 1.00 62.45 H new ATOM 0 HB2 PRO A 660 11.461 -21.925 12.055 1.00 60.45 H new ATOM 0 HB3 PRO A 660 11.893 -20.606 10.985 1.00 60.45 H new ATOM 0 HG2 PRO A 660 9.654 -20.775 12.908 1.00 2.01 H new ATOM 0 HG3 PRO A 660 10.352 -19.353 12.158 1.00 2.01 H new ATOM 0 HD2 PRO A 660 7.883 -20.629 11.451 1.00 0.22 H new ATOM 0 HD3 PRO A 660 8.638 -19.279 10.628 1.00 0.22 H new ATOM 1896 N ASP A 661 10.975 -24.282 10.108 1.00 3.24 N ATOM 1897 CA ASP A 661 10.789 -25.703 10.347 1.00 11.12 C ATOM 1898 C ASP A 661 10.909 -25.984 11.846 1.00 14.34 C ATOM 1899 O ASP A 661 11.319 -25.114 12.614 1.00 71.24 O ATOM 1900 CB ASP A 661 11.856 -26.527 9.625 1.00 22.51 C ATOM 1901 CG ASP A 661 13.299 -26.099 9.898 1.00 3.34 C ATOM 1902 OD1 ASP A 661 14.000 -26.704 10.723 1.00 11.34 O ATOM 1903 OD2 ASP A 661 13.705 -25.083 9.214 1.00 63.51 O ATOM 0 H ASP A 661 11.846 -24.040 9.636 1.00 3.24 H new ATOM 0 HA ASP A 661 9.804 -25.981 9.973 1.00 11.12 H new ATOM 0 HB2 ASP A 661 11.743 -27.572 9.913 1.00 22.51 H new ATOM 0 HB3 ASP A 661 11.673 -26.470 8.552 1.00 22.51 H new ATOM 1909 N PHE A 662 10.543 -27.201 12.219 1.00 72.40 N ATOM 1910 CA PHE A 662 10.604 -27.608 13.613 1.00 41.33 C ATOM 1911 C PHE A 662 12.013 -28.072 13.987 1.00 30.40 C ATOM 1912 O PHE A 662 12.412 -29.187 13.653 1.00 30.14 O ATOM 1913 CB PHE A 662 9.633 -28.778 13.781 1.00 54.34 C ATOM 1914 CG PHE A 662 9.524 -29.295 15.216 1.00 30.14 C ATOM 1915 CD1 PHE A 662 10.471 -30.138 15.709 1.00 74.32 C ATOM 1916 CD2 PHE A 662 8.481 -28.912 16.000 1.00 13.22 C ATOM 1917 CE1 PHE A 662 10.370 -30.618 17.041 1.00 32.44 C ATOM 1918 CE2 PHE A 662 8.380 -29.392 17.333 1.00 51.03 C ATOM 1919 CZ PHE A 662 9.327 -30.235 17.825 1.00 35.12 C ATOM 0 H PHE A 662 10.203 -27.919 11.580 1.00 72.40 H new ATOM 0 HA PHE A 662 10.344 -26.768 14.257 1.00 41.33 H new ATOM 0 HB2 PHE A 662 8.645 -28.468 13.441 1.00 54.34 H new ATOM 0 HB3 PHE A 662 9.950 -29.596 13.134 1.00 54.34 H new ATOM 0 HD1 PHE A 662 11.300 -30.442 15.087 1.00 74.32 H new ATOM 0 HD2 PHE A 662 7.729 -28.243 15.609 1.00 13.22 H new ATOM 0 HE1 PHE A 662 11.122 -31.288 17.432 1.00 32.44 H new ATOM 0 HE2 PHE A 662 7.552 -29.088 17.956 1.00 51.03 H new ATOM 0 HZ PHE A 662 9.251 -30.600 18.838 1.00 35.12 H new