USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 822 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 654 HIS : no HD1:sc= -0.171 X(o=0.65,f=0.57) USER MOD Set 1.2: A 658 SER OG : rot 85:sc= 0.824 USER MOD Set 2.1: A 563 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Set 2.2: A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 GLN : amide:sc= -0.768 X(o=-0.77,f=-0.72) USER MOD Single : A 566 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -156:sc= -0.123 (180deg=-0.55) USER MOD Single : A 569 SER OG : rot 30:sc= 0.097 USER MOD Single : A 572 SER OG : rot 170:sc=0.000621 USER MOD Single : A 573 GLN : amide:sc= -1.96 K(o=-2,f=-3.2!) USER MOD Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.0072) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0.00236 USER MOD Single : A 604 LYS NZ :NH3+ -114:sc= 0 (180deg=-1.18) USER MOD Single : A 605 MET CE :methyl 162:sc= -0.186 (180deg=-0.893) USER MOD Single : A 610 ASN : amide:sc= -0.0113 K(o=-0.011,f=-2) USER MOD Single : A 613 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.29) USER MOD Single : A 615 THR OG1 : rot 142:sc= -3.25! USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ -137:sc= -0.115 (180deg=-2.46!) USER MOD Single : A 622 LYS NZ :NH3+ -148:sc= -0.179 (180deg=-0.836) USER MOD Single : A 624 LYS NZ :NH3+ 138:sc= -0.985 (180deg=-3.99!) USER MOD Single : A 625 THR OG1 : rot 82:sc= 0.651 USER MOD Single : A 628 HIS : no HE2:sc= -2.71! C(o=-2.7!,f=-5!) USER MOD Single : A 629 THR OG1 : rot 79:sc= 0.246 USER MOD Single : A 631 SER OG : rot -68:sc= 0.942 USER MOD Single : A 635 GLN : amide:sc=-0.00334 K(o=-0.0033,f=-0.64) USER MOD Single : A 636 GLN : amide:sc= -0.0325 K(o=-0.032,f=-1.2) USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= -2.5 K(o=-2.5,f=-5.1!) USER MOD Single : A 660 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.51) USER MOD Single : A 661 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 663 LYS NZ :NH3+ -165:sc=-0.00446 (180deg=-0.109) USER MOD Single : A 664 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.8!) USER MOD Single : A 665 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.087) USER MOD Single : A 670 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 678 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0125) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 561 -6.723 -40.079 -4.636 1.00 3.34 N ATOM 2 CA PRO A 561 -6.730 -38.655 -4.286 1.00 53.42 C ATOM 3 C PRO A 561 -6.656 -38.428 -2.780 1.00 2.22 C ATOM 4 O PRO A 561 -6.978 -39.317 -1.992 1.00 60.31 O ATOM 5 CB PRO A 561 -8.071 -38.163 -4.837 1.00 41.45 C ATOM 6 CG PRO A 561 -8.938 -39.375 -4.864 1.00 23.31 C ATOM 7 CD PRO A 561 -8.023 -40.531 -5.159 1.00 1.42 C ATOM 0 HA PRO A 561 -5.867 -38.129 -4.694 1.00 53.42 H new ATOM 0 HB2 PRO A 561 -8.498 -37.385 -4.204 1.00 41.45 H new ATOM 0 HB3 PRO A 561 -7.957 -37.736 -5.833 1.00 41.45 H new ATOM 0 HG2 PRO A 561 -9.446 -39.513 -3.910 1.00 23.31 H new ATOM 0 HG3 PRO A 561 -9.711 -39.285 -5.627 1.00 23.31 H new ATOM 0 HD2 PRO A 561 -8.358 -41.444 -4.668 1.00 1.42 H new ATOM 0 HD3 PRO A 561 -7.975 -40.743 -6.227 1.00 1.42 H new ATOM 12 N VAL A 562 -6.230 -37.231 -2.387 1.00 3.44 N ATOM 13 CA VAL A 562 -6.115 -36.887 -0.975 1.00 31.33 C ATOM 14 C VAL A 562 -5.702 -35.430 -0.798 1.00 25.33 C ATOM 15 O VAL A 562 -4.696 -34.988 -1.352 1.00 1.11 O ATOM 16 CB VAL A 562 -5.095 -37.790 -0.258 1.00 12.02 C ATOM 17 CG1 VAL A 562 -3.736 -37.706 -0.938 1.00 40.25 C ATOM 18 CG2 VAL A 562 -4.989 -37.412 1.211 1.00 32.31 C ATOM 0 H VAL A 562 -5.959 -36.484 -3.027 1.00 3.44 H new ATOM 0 HA VAL A 562 -7.098 -37.040 -0.530 1.00 31.33 H new ATOM 0 HB VAL A 562 -5.443 -38.821 -0.320 1.00 12.02 H new ATOM 0 HG11 VAL A 562 -3.028 -38.351 -0.417 1.00 40.25 H new ATOM 0 HG12 VAL A 562 -3.827 -38.030 -1.975 1.00 40.25 H new ATOM 0 HG13 VAL A 562 -3.378 -36.677 -0.910 1.00 40.25 H new ATOM 0 HG21 VAL A 562 -4.264 -38.061 1.702 1.00 32.31 H new ATOM 0 HG22 VAL A 562 -4.665 -36.375 1.297 1.00 32.31 H new ATOM 0 HG23 VAL A 562 -5.962 -37.529 1.688 1.00 32.31 H new ATOM 28 N ASN A 563 -6.484 -34.689 -0.019 1.00 3.45 N ATOM 29 CA ASN A 563 -6.199 -33.281 0.232 1.00 25.10 C ATOM 30 C ASN A 563 -7.096 -32.733 1.337 1.00 55.55 C ATOM 31 O ASN A 563 -8.157 -33.290 1.621 1.00 1.25 O ATOM 32 CB ASN A 563 -6.388 -32.465 -1.048 1.00 72.24 C ATOM 33 CG ASN A 563 -5.516 -31.224 -1.077 1.00 40.04 C ATOM 34 OD1 ASN A 563 -6.008 -30.103 -0.948 1.00 43.30 O ATOM 35 ND2 ASN A 563 -4.213 -31.421 -1.247 1.00 40.34 N ATOM 0 H ASN A 563 -7.319 -35.040 0.449 1.00 3.45 H new ATOM 0 HA ASN A 563 -5.162 -33.198 0.557 1.00 25.10 H new ATOM 0 HB2 ASN A 563 -6.156 -33.089 -1.911 1.00 72.24 H new ATOM 0 HB3 ASN A 563 -7.434 -32.173 -1.138 1.00 72.24 H new ATOM 0 HD21 ASN A 563 -3.576 -30.625 -1.275 1.00 40.34 H new ATOM 0 HD22 ASN A 563 -3.850 -32.369 -1.350 1.00 40.34 H new ATOM 41 N GLN A 564 -6.665 -31.639 1.955 1.00 43.55 N ATOM 42 CA GLN A 564 -7.430 -31.017 3.029 1.00 32.43 C ATOM 43 C GLN A 564 -7.516 -29.507 2.830 1.00 52.15 C ATOM 44 O GLN A 564 -6.788 -28.933 2.019 1.00 41.44 O ATOM 45 CB GLN A 564 -6.795 -31.329 4.384 1.00 63.14 C ATOM 46 CG GLN A 564 -5.335 -30.916 4.482 1.00 41.31 C ATOM 47 CD GLN A 564 -5.164 -29.465 4.887 1.00 44.41 C ATOM 48 OE1 GLN A 564 -4.620 -28.658 4.133 1.00 22.21 O ATOM 49 NE2 GLN A 564 -5.629 -29.126 6.084 1.00 71.01 N ATOM 0 H GLN A 564 -5.790 -31.165 1.731 1.00 43.55 H new ATOM 0 HA GLN A 564 -8.440 -31.427 3.007 1.00 32.43 H new ATOM 0 HB2 GLN A 564 -7.360 -30.822 5.166 1.00 63.14 H new ATOM 0 HB3 GLN A 564 -6.875 -32.399 4.575 1.00 63.14 H new ATOM 0 HG2 GLN A 564 -4.829 -31.553 5.207 1.00 41.31 H new ATOM 0 HG3 GLN A 564 -4.850 -31.080 3.520 1.00 41.31 H new ATOM 0 HE21 GLN A 564 -6.073 -29.828 6.676 1.00 71.01 H new ATOM 0 HE22 GLN A 564 -5.542 -28.164 6.411 1.00 71.01 H new ATOM 56 N LYS A 565 -8.411 -28.867 3.575 1.00 54.23 N ATOM 57 CA LYS A 565 -8.594 -27.424 3.483 1.00 74.42 C ATOM 58 C LYS A 565 -8.882 -26.822 4.856 1.00 13.44 C ATOM 59 O LYS A 565 -9.651 -27.380 5.638 1.00 62.43 O ATOM 60 CB LYS A 565 -9.737 -27.094 2.520 1.00 23.25 C ATOM 61 CG LYS A 565 -9.650 -27.835 1.197 1.00 5.11 C ATOM 62 CD LYS A 565 -10.374 -29.169 1.257 1.00 21.33 C ATOM 63 CE LYS A 565 -10.670 -29.705 -0.135 1.00 53.14 C ATOM 64 NZ LYS A 565 -9.481 -30.366 -0.741 1.00 62.23 N ATOM 0 H LYS A 565 -9.022 -29.326 4.250 1.00 54.23 H new ATOM 0 HA LYS A 565 -7.669 -26.990 3.102 1.00 74.42 H new ATOM 0 HB2 LYS A 565 -10.686 -27.334 3.000 1.00 23.25 H new ATOM 0 HB3 LYS A 565 -9.740 -26.021 2.327 1.00 23.25 H new ATOM 0 HG2 LYS A 565 -10.081 -27.221 0.406 1.00 5.11 H new ATOM 0 HG3 LYS A 565 -8.604 -27.999 0.939 1.00 5.11 H new ATOM 0 HD2 LYS A 565 -9.766 -29.890 1.804 1.00 21.33 H new ATOM 0 HD3 LYS A 565 -11.306 -29.054 1.810 1.00 21.33 H new ATOM 0 HE2 LYS A 565 -11.493 -30.417 -0.082 1.00 53.14 H new ATOM 0 HE3 LYS A 565 -10.997 -28.887 -0.777 1.00 53.14 H new ATOM 0 HZ1 LYS A 565 -9.725 -30.717 -1.689 1.00 62.23 H new ATOM 0 HZ2 LYS A 565 -8.703 -29.680 -0.815 1.00 62.23 H new ATOM 0 HZ3 LYS A 565 -9.184 -31.163 -0.142 1.00 62.23 H new ATOM 74 N SER A 566 -8.262 -25.682 5.139 1.00 24.10 N ATOM 75 CA SER A 566 -8.450 -25.007 6.417 1.00 43.13 C ATOM 76 C SER A 566 -8.861 -23.553 6.209 1.00 14.04 C ATOM 77 O SER A 566 -8.470 -22.919 5.229 1.00 60.10 O ATOM 78 CB SER A 566 -7.165 -25.071 7.247 1.00 3.53 C ATOM 79 OG SER A 566 -7.144 -26.228 8.065 1.00 63.45 O ATOM 0 H SER A 566 -7.625 -25.206 4.500 1.00 24.10 H new ATOM 0 HA SER A 566 -9.248 -25.519 6.955 1.00 43.13 H new ATOM 0 HB2 SER A 566 -6.300 -25.075 6.584 1.00 3.53 H new ATOM 0 HB3 SER A 566 -7.086 -24.180 7.870 1.00 3.53 H new ATOM 0 HG SER A 566 -6.313 -26.247 8.584 1.00 63.45 H new ATOM 84 N LYS A 567 -9.654 -23.030 7.138 1.00 31.21 N ATOM 85 CA LYS A 567 -10.120 -21.650 7.059 1.00 23.04 C ATOM 86 C LYS A 567 -10.262 -21.044 8.451 1.00 34.31 C ATOM 87 O LYS A 567 -10.842 -21.657 9.348 1.00 72.43 O ATOM 88 CB LYS A 567 -11.459 -21.584 6.321 1.00 44.35 C ATOM 89 CG LYS A 567 -11.655 -20.302 5.533 1.00 14.04 C ATOM 90 CD LYS A 567 -11.014 -20.390 4.157 1.00 74.02 C ATOM 91 CE LYS A 567 -11.592 -19.353 3.206 1.00 34.15 C ATOM 92 NZ LYS A 567 -13.038 -19.592 2.937 1.00 25.12 N ATOM 0 H LYS A 567 -9.988 -23.541 7.955 1.00 31.21 H new ATOM 0 HA LYS A 567 -9.379 -21.073 6.505 1.00 23.04 H new ATOM 0 HB2 LYS A 567 -11.532 -22.433 5.642 1.00 44.35 H new ATOM 0 HB3 LYS A 567 -12.268 -21.684 7.044 1.00 44.35 H new ATOM 0 HG2 LYS A 567 -12.721 -20.098 5.427 1.00 14.04 H new ATOM 0 HG3 LYS A 567 -11.224 -19.466 6.084 1.00 14.04 H new ATOM 0 HD2 LYS A 567 -9.937 -20.244 4.246 1.00 74.02 H new ATOM 0 HD3 LYS A 567 -11.167 -21.388 3.746 1.00 74.02 H new ATOM 0 HE2 LYS A 567 -11.461 -18.358 3.631 1.00 34.15 H new ATOM 0 HE3 LYS A 567 -11.040 -19.374 2.267 1.00 34.15 H new ATOM 0 HZ1 LYS A 567 -13.297 -19.163 2.025 1.00 25.12 H new ATOM 0 HZ2 LYS A 567 -13.220 -20.615 2.903 1.00 25.12 H new ATOM 0 HZ3 LYS A 567 -13.607 -19.164 3.695 1.00 25.12 H new ATOM 102 N ARG A 568 -9.733 -19.837 8.623 1.00 42.13 N ATOM 103 CA ARG A 568 -9.802 -19.148 9.906 1.00 20.11 C ATOM 104 C ARG A 568 -9.664 -17.640 9.722 1.00 62.41 C ATOM 105 O ARG A 568 -8.612 -17.149 9.312 1.00 2.32 O ATOM 106 CB ARG A 568 -8.708 -19.661 10.844 1.00 65.14 C ATOM 107 CG ARG A 568 -9.059 -20.971 11.531 1.00 62.33 C ATOM 108 CD ARG A 568 -8.175 -21.218 12.743 1.00 41.00 C ATOM 109 NE ARG A 568 -8.508 -20.332 13.856 1.00 53.20 N ATOM 110 CZ ARG A 568 -8.177 -20.580 15.118 1.00 23.01 C ATOM 111 NH1 ARG A 568 -7.505 -21.681 15.426 1.00 24.34 N ATOM 112 NH2 ARG A 568 -8.517 -19.725 16.074 1.00 5.41 N ATOM 0 H ARG A 568 -9.252 -19.316 7.890 1.00 42.13 H new ATOM 0 HA ARG A 568 -10.776 -19.354 10.349 1.00 20.11 H new ATOM 0 HB2 ARG A 568 -7.787 -19.794 10.276 1.00 65.14 H new ATOM 0 HB3 ARG A 568 -8.508 -18.905 11.603 1.00 65.14 H new ATOM 0 HG2 ARG A 568 -10.104 -20.953 11.839 1.00 62.33 H new ATOM 0 HG3 ARG A 568 -8.949 -21.794 10.825 1.00 62.33 H new ATOM 0 HD2 ARG A 568 -8.279 -22.255 13.062 1.00 41.00 H new ATOM 0 HD3 ARG A 568 -7.131 -21.074 12.465 1.00 41.00 H new ATOM 0 HE ARG A 568 -9.023 -19.476 13.652 1.00 53.20 H new ATOM 0 HH11 ARG A 568 -7.241 -22.339 14.693 1.00 24.34 H new ATOM 0 HH12 ARG A 568 -7.252 -21.869 16.396 1.00 24.34 H new ATOM 0 HH21 ARG A 568 -9.033 -18.877 15.840 1.00 5.41 H new ATOM 0 HH22 ARG A 568 -8.263 -19.916 17.043 1.00 5.41 H new ATOM 123 N SER A 569 -10.732 -16.911 10.027 1.00 22.11 N ATOM 124 CA SER A 569 -10.731 -15.459 9.891 1.00 21.34 C ATOM 125 C SER A 569 -10.303 -14.791 11.194 1.00 54.32 C ATOM 126 O SER A 569 -10.879 -15.046 12.252 1.00 32.42 O ATOM 127 CB SER A 569 -12.119 -14.963 9.481 1.00 22.41 C ATOM 128 OG SER A 569 -13.113 -15.441 10.370 1.00 14.52 O ATOM 0 H SER A 569 -11.610 -17.302 10.370 1.00 22.11 H new ATOM 0 HA SER A 569 -10.014 -15.192 9.115 1.00 21.34 H new ATOM 0 HB2 SER A 569 -12.131 -13.873 9.469 1.00 22.41 H new ATOM 0 HB3 SER A 569 -12.343 -15.295 8.467 1.00 22.41 H new ATOM 0 HG SER A 569 -12.725 -15.559 11.262 1.00 14.52 H new ATOM 133 N GLU A 570 -9.290 -13.936 11.109 1.00 21.45 N ATOM 134 CA GLU A 570 -8.783 -13.232 12.282 1.00 12.42 C ATOM 135 C GLU A 570 -8.113 -11.920 11.882 1.00 53.14 C ATOM 136 O GLU A 570 -7.330 -11.874 10.933 1.00 5.24 O ATOM 137 CB GLU A 570 -7.792 -14.113 13.044 1.00 63.22 C ATOM 138 CG GLU A 570 -8.451 -15.232 13.831 1.00 13.44 C ATOM 139 CD GLU A 570 -8.613 -16.502 13.016 1.00 61.12 C ATOM 140 OE1 GLU A 570 -7.768 -16.750 12.130 1.00 52.22 O ATOM 141 OE2 GLU A 570 -9.584 -17.246 13.265 1.00 60.01 O ATOM 0 H GLU A 570 -8.804 -13.713 10.241 1.00 21.45 H new ATOM 0 HA GLU A 570 -9.628 -13.004 12.931 1.00 12.42 H new ATOM 0 HB2 GLU A 570 -7.085 -14.546 12.336 1.00 63.22 H new ATOM 0 HB3 GLU A 570 -7.216 -13.489 13.728 1.00 63.22 H new ATOM 0 HG2 GLU A 570 -7.855 -15.447 14.718 1.00 13.44 H new ATOM 0 HG3 GLU A 570 -9.430 -14.900 14.178 1.00 13.44 H new ATOM 146 N LEU A 571 -8.428 -10.856 12.613 1.00 23.13 N ATOM 147 CA LEU A 571 -7.857 -9.543 12.335 1.00 31.12 C ATOM 148 C LEU A 571 -8.072 -8.596 13.512 1.00 52.13 C ATOM 149 O LEU A 571 -8.682 -8.965 14.516 1.00 11.42 O ATOM 150 CB LEU A 571 -8.480 -8.951 11.069 1.00 51.15 C ATOM 151 CG LEU A 571 -9.977 -8.646 11.138 1.00 0.11 C ATOM 152 CD1 LEU A 571 -10.332 -7.499 10.205 1.00 23.42 C ATOM 153 CD2 LEU A 571 -10.790 -9.886 10.794 1.00 73.15 C ATOM 0 H LEU A 571 -9.075 -10.877 13.401 1.00 23.13 H new ATOM 0 HA LEU A 571 -6.785 -9.665 12.181 1.00 31.12 H new ATOM 0 HB2 LEU A 571 -7.952 -8.029 10.825 1.00 51.15 H new ATOM 0 HB3 LEU A 571 -8.308 -9.644 10.245 1.00 51.15 H new ATOM 0 HG LEU A 571 -10.220 -8.347 12.157 1.00 0.11 H new ATOM 0 HD11 LEU A 571 -11.401 -7.296 10.268 1.00 23.42 H new ATOM 0 HD12 LEU A 571 -9.776 -6.608 10.496 1.00 23.42 H new ATOM 0 HD13 LEU A 571 -10.073 -7.769 9.181 1.00 23.42 H new ATOM 0 HD21 LEU A 571 -11.853 -9.651 10.848 1.00 73.15 H new ATOM 0 HD22 LEU A 571 -10.542 -10.215 9.785 1.00 73.15 H new ATOM 0 HD23 LEU A 571 -10.558 -10.681 11.502 1.00 73.15 H new ATOM 164 N SER A 572 -7.570 -7.372 13.380 1.00 41.20 N ATOM 165 CA SER A 572 -7.706 -6.373 14.433 1.00 24.32 C ATOM 166 C SER A 572 -7.962 -4.991 13.840 1.00 64.44 C ATOM 167 O SER A 572 -8.213 -4.855 12.643 1.00 74.03 O ATOM 168 CB SER A 572 -6.446 -6.343 15.302 1.00 34.52 C ATOM 169 OG SER A 572 -6.765 -6.051 16.652 1.00 4.02 O ATOM 0 H SER A 572 -7.066 -7.049 12.554 1.00 41.20 H new ATOM 0 HA SER A 572 -8.560 -6.647 15.053 1.00 24.32 H new ATOM 0 HB2 SER A 572 -5.938 -7.306 15.245 1.00 34.52 H new ATOM 0 HB3 SER A 572 -5.753 -5.594 14.918 1.00 34.52 H new ATOM 0 HG SER A 572 -5.975 -6.195 17.213 1.00 4.02 H new ATOM 174 N GLN A 573 -7.895 -3.969 14.688 1.00 72.03 N ATOM 175 CA GLN A 573 -8.121 -2.598 14.248 1.00 74.42 C ATOM 176 C GLN A 573 -7.197 -1.632 14.983 1.00 71.54 C ATOM 177 O GLN A 573 -6.833 -1.862 16.136 1.00 74.52 O ATOM 178 CB GLN A 573 -9.580 -2.200 14.477 1.00 60.34 C ATOM 179 CG GLN A 573 -10.560 -2.943 13.585 1.00 50.54 C ATOM 180 CD GLN A 573 -10.893 -4.327 14.110 1.00 33.43 C ATOM 181 OE1 GLN A 573 -10.914 -4.556 15.319 1.00 2.13 O ATOM 182 NE2 GLN A 573 -11.156 -5.258 13.200 1.00 22.23 N ATOM 0 H GLN A 573 -7.686 -4.065 15.682 1.00 72.03 H new ATOM 0 HA GLN A 573 -7.900 -2.544 13.182 1.00 74.42 H new ATOM 0 HB2 GLN A 573 -9.839 -2.384 15.520 1.00 60.34 H new ATOM 0 HB3 GLN A 573 -9.687 -1.129 14.307 1.00 60.34 H new ATOM 0 HG2 GLN A 573 -11.478 -2.362 13.496 1.00 50.54 H new ATOM 0 HG3 GLN A 573 -10.140 -3.030 12.583 1.00 50.54 H new ATOM 0 HE21 GLN A 573 -11.127 -5.024 12.208 1.00 22.23 H new ATOM 0 HE22 GLN A 573 -11.387 -6.207 13.493 1.00 22.23 H new ATOM 189 N ARG A 574 -6.822 -0.550 14.307 1.00 42.42 N ATOM 190 CA ARG A 574 -5.939 0.450 14.896 1.00 52.23 C ATOM 191 C ARG A 574 -6.333 1.854 14.447 1.00 41.34 C ATOM 192 O ARG A 574 -7.275 2.028 13.674 1.00 52.21 O ATOM 193 CB ARG A 574 -4.485 0.169 14.511 1.00 13.34 C ATOM 194 CG ARG A 574 -3.760 -0.739 15.489 1.00 72.15 C ATOM 195 CD ARG A 574 -3.870 -2.200 15.083 1.00 14.52 C ATOM 196 NE ARG A 574 -3.871 -3.092 16.239 1.00 40.22 N ATOM 197 CZ ARG A 574 -3.621 -4.394 16.163 1.00 52.40 C ATOM 198 NH1 ARG A 574 -3.351 -4.953 14.992 1.00 41.40 N ATOM 199 NH2 ARG A 574 -3.641 -5.141 17.260 1.00 75.42 N ATOM 0 H ARG A 574 -7.116 -0.344 13.352 1.00 42.42 H new ATOM 0 HA ARG A 574 -6.038 0.392 15.980 1.00 52.23 H new ATOM 0 HB2 ARG A 574 -4.462 -0.286 13.521 1.00 13.34 H new ATOM 0 HB3 ARG A 574 -3.948 1.115 14.440 1.00 13.34 H new ATOM 0 HG2 ARG A 574 -2.709 -0.453 15.541 1.00 72.15 H new ATOM 0 HG3 ARG A 574 -4.177 -0.606 16.487 1.00 72.15 H new ATOM 0 HD2 ARG A 574 -4.785 -2.349 14.510 1.00 14.52 H new ATOM 0 HD3 ARG A 574 -3.038 -2.457 14.428 1.00 14.52 H new ATOM 0 HE ARG A 574 -4.075 -2.693 17.155 1.00 40.22 H new ATOM 0 HH11 ARG A 574 -3.335 -4.383 14.146 1.00 41.40 H new ATOM 0 HH12 ARG A 574 -3.159 -5.953 14.936 1.00 41.40 H new ATOM 0 HH21 ARG A 574 -3.849 -4.715 18.163 1.00 75.42 H new ATOM 0 HH22 ARG A 574 -3.449 -6.141 17.200 1.00 75.42 H new ATOM 210 N ARG A 575 -5.605 2.852 14.939 1.00 34.11 N ATOM 211 CA ARG A 575 -5.880 4.241 14.590 1.00 51.42 C ATOM 212 C ARG A 575 -4.637 4.913 14.015 1.00 62.12 C ATOM 213 O ARG A 575 -3.809 5.447 14.756 1.00 0.44 O ATOM 214 CB ARG A 575 -6.368 5.011 15.819 1.00 2.15 C ATOM 215 CG ARG A 575 -7.729 4.557 16.320 1.00 63.44 C ATOM 216 CD ARG A 575 -8.071 5.199 17.656 1.00 44.34 C ATOM 217 NE ARG A 575 -9.124 4.470 18.359 1.00 63.24 N ATOM 218 CZ ARG A 575 -9.813 4.974 19.376 1.00 71.24 C ATOM 219 NH1 ARG A 575 -9.563 6.203 19.808 1.00 14.15 N ATOM 220 NH2 ARG A 575 -10.757 4.250 19.964 1.00 2.02 N ATOM 0 H ARG A 575 -4.821 2.725 15.580 1.00 34.11 H new ATOM 0 HA ARG A 575 -6.661 4.251 13.830 1.00 51.42 H new ATOM 0 HB2 ARG A 575 -5.639 4.898 16.621 1.00 2.15 H new ATOM 0 HB3 ARG A 575 -6.415 6.073 15.577 1.00 2.15 H new ATOM 0 HG2 ARG A 575 -8.493 4.813 15.586 1.00 63.44 H new ATOM 0 HG3 ARG A 575 -7.737 3.472 16.423 1.00 63.44 H new ATOM 0 HD2 ARG A 575 -7.178 5.237 18.279 1.00 44.34 H new ATOM 0 HD3 ARG A 575 -8.390 6.229 17.493 1.00 44.34 H new ATOM 0 HE ARG A 575 -9.342 3.522 18.052 1.00 63.24 H new ATOM 0 HH11 ARG A 575 -8.839 6.764 19.359 1.00 14.15 H new ATOM 0 HH12 ARG A 575 -10.094 6.587 20.590 1.00 14.15 H new ATOM 0 HH21 ARG A 575 -10.954 3.305 19.635 1.00 2.02 H new ATOM 0 HH22 ARG A 575 -11.285 4.639 20.745 1.00 2.02 H new ATOM 231 N ILE A 576 -4.512 4.883 12.693 1.00 0.23 N ATOM 232 CA ILE A 576 -3.370 5.490 12.019 1.00 63.11 C ATOM 233 C ILE A 576 -3.742 5.952 10.615 1.00 22.14 C ATOM 234 O ILE A 576 -4.510 5.291 9.915 1.00 63.23 O ATOM 235 CB ILE A 576 -2.185 4.510 11.928 1.00 62.35 C ATOM 236 CG1 ILE A 576 -2.641 3.178 11.332 1.00 2.00 C ATOM 237 CG2 ILE A 576 -1.567 4.298 13.302 1.00 24.52 C ATOM 238 CD1 ILE A 576 -1.529 2.405 10.656 1.00 60.32 C ATOM 0 H ILE A 576 -5.187 4.445 12.067 1.00 0.23 H new ATOM 0 HA ILE A 576 -3.073 6.353 12.615 1.00 63.11 H new ATOM 0 HB ILE A 576 -1.427 4.939 11.272 1.00 62.35 H new ATOM 0 HG12 ILE A 576 -3.071 2.563 12.123 1.00 2.00 H new ATOM 0 HG13 ILE A 576 -3.434 3.366 10.608 1.00 2.00 H new ATOM 0 HG21 ILE A 576 -0.731 3.603 13.222 1.00 24.52 H new ATOM 0 HG22 ILE A 576 -1.210 5.251 13.692 1.00 24.52 H new ATOM 0 HG23 ILE A 576 -2.316 3.887 13.979 1.00 24.52 H new ATOM 0 HD11 ILE A 576 -1.925 1.471 10.257 1.00 60.32 H new ATOM 0 HD12 ILE A 576 -1.114 3.000 9.843 1.00 60.32 H new ATOM 0 HD13 ILE A 576 -0.745 2.186 11.381 1.00 60.32 H new ATOM 249 N ARG A 577 -3.191 7.091 10.207 1.00 52.34 N ATOM 250 CA ARG A 577 -3.464 7.642 8.886 1.00 41.10 C ATOM 251 C ARG A 577 -2.330 8.555 8.432 1.00 64.40 C ATOM 252 O ARG A 577 -2.007 9.539 9.098 1.00 73.10 O ATOM 253 CB ARG A 577 -4.783 8.416 8.896 1.00 71.31 C ATOM 254 CG ARG A 577 -6.013 7.525 8.841 1.00 51.02 C ATOM 255 CD ARG A 577 -7.285 8.341 8.663 1.00 43.44 C ATOM 256 NE ARG A 577 -7.364 9.445 9.616 1.00 63.51 N ATOM 257 CZ ARG A 577 -8.342 10.344 9.620 1.00 24.33 C ATOM 258 NH1 ARG A 577 -9.319 10.269 8.727 1.00 42.10 N ATOM 259 NH2 ARG A 577 -8.343 11.321 10.518 1.00 15.54 N ATOM 0 H ARG A 577 -2.553 7.650 10.773 1.00 52.34 H new ATOM 0 HA ARG A 577 -3.542 6.812 8.183 1.00 41.10 H new ATOM 0 HB2 ARG A 577 -4.828 9.028 9.797 1.00 71.31 H new ATOM 0 HB3 ARG A 577 -4.801 9.098 8.046 1.00 71.31 H new ATOM 0 HG2 ARG A 577 -5.915 6.818 8.017 1.00 51.02 H new ATOM 0 HG3 ARG A 577 -6.081 6.939 9.758 1.00 51.02 H new ATOM 0 HD2 ARG A 577 -7.324 8.735 7.647 1.00 43.44 H new ATOM 0 HD3 ARG A 577 -8.152 7.692 8.787 1.00 43.44 H new ATOM 0 HE ARG A 577 -6.628 9.530 10.317 1.00 63.51 H new ATOM 0 HH11 ARG A 577 -9.321 9.520 8.035 1.00 42.10 H new ATOM 0 HH12 ARG A 577 -10.069 10.960 8.732 1.00 42.10 H new ATOM 0 HH21 ARG A 577 -7.592 11.382 11.206 1.00 15.54 H new ATOM 0 HH22 ARG A 577 -9.094 12.011 10.520 1.00 15.54 H new ATOM 270 N ARG A 578 -1.726 8.222 7.296 1.00 33.34 N ATOM 271 CA ARG A 578 -0.627 9.010 6.755 1.00 32.55 C ATOM 272 C ARG A 578 -0.971 9.542 5.366 1.00 61.42 C ATOM 273 O ARG A 578 -1.488 8.824 4.510 1.00 5.15 O ATOM 274 CB ARG A 578 0.649 8.169 6.688 1.00 14.42 C ATOM 275 CG ARG A 578 1.924 8.979 6.855 1.00 34.24 C ATOM 276 CD ARG A 578 1.993 9.632 8.226 1.00 61.10 C ATOM 277 NE ARG A 578 1.743 8.676 9.301 1.00 73.31 N ATOM 278 CZ ARG A 578 1.507 9.031 10.559 1.00 55.52 C ATOM 279 NH1 ARG A 578 1.487 10.313 10.898 1.00 42.43 N ATOM 280 NH2 ARG A 578 1.287 8.102 11.481 1.00 62.13 N ATOM 0 H ARG A 578 -1.980 7.411 6.732 1.00 33.34 H new ATOM 0 HA ARG A 578 -0.461 9.858 7.420 1.00 32.55 H new ATOM 0 HB2 ARG A 578 0.611 7.404 7.464 1.00 14.42 H new ATOM 0 HB3 ARG A 578 0.682 7.650 5.730 1.00 14.42 H new ATOM 0 HG2 ARG A 578 2.789 8.331 6.716 1.00 34.24 H new ATOM 0 HG3 ARG A 578 1.973 9.746 6.082 1.00 34.24 H new ATOM 0 HD2 ARG A 578 2.976 10.083 8.363 1.00 61.10 H new ATOM 0 HD3 ARG A 578 1.262 10.438 8.281 1.00 61.10 H new ATOM 0 HE ARG A 578 1.750 7.682 9.074 1.00 73.31 H new ATOM 0 HH11 ARG A 578 1.653 11.030 10.192 1.00 42.43 H new ATOM 0 HH12 ARG A 578 1.305 10.582 11.865 1.00 42.43 H new ATOM 0 HH21 ARG A 578 1.299 7.115 11.224 1.00 62.13 H new ATOM 0 HH22 ARG A 578 1.106 8.375 12.447 1.00 62.13 H new ATOM 291 N PRO A 579 -0.679 10.832 5.136 1.00 5.41 N ATOM 292 CA PRO A 579 -0.948 11.488 3.854 1.00 55.10 C ATOM 293 C PRO A 579 -0.037 10.982 2.741 1.00 13.22 C ATOM 294 O PRO A 579 0.902 11.666 2.334 1.00 24.33 O ATOM 295 CB PRO A 579 -0.667 12.964 4.145 1.00 13.02 C ATOM 296 CG PRO A 579 0.295 12.949 5.282 1.00 71.51 C ATOM 297 CD PRO A 579 -0.062 11.747 6.111 1.00 51.32 C ATOM 0 HA PRO A 579 -1.961 11.294 3.502 1.00 55.10 H new ATOM 0 HB2 PRO A 579 -0.244 13.466 3.275 1.00 13.02 H new ATOM 0 HB3 PRO A 579 -1.581 13.497 4.407 1.00 13.02 H new ATOM 0 HG2 PRO A 579 1.322 12.884 4.923 1.00 71.51 H new ATOM 0 HG3 PRO A 579 0.219 13.864 5.869 1.00 71.51 H new ATOM 0 HD2 PRO A 579 0.818 11.304 6.577 1.00 51.32 H new ATOM 0 HD3 PRO A 579 -0.753 12.004 6.914 1.00 51.32 H new ATOM 302 N PHE A 580 -0.322 9.780 2.251 1.00 4.20 N ATOM 303 CA PHE A 580 0.473 9.181 1.184 1.00 33.22 C ATOM 304 C PHE A 580 -0.122 9.503 -0.183 1.00 33.24 C ATOM 305 O PHE A 580 -1.338 9.457 -0.370 1.00 54.40 O ATOM 306 CB PHE A 580 0.559 7.665 1.372 1.00 13.13 C ATOM 307 CG PHE A 580 1.875 7.203 1.928 1.00 15.41 C ATOM 308 CD1 PHE A 580 2.488 7.896 2.959 1.00 30.43 C ATOM 309 CD2 PHE A 580 2.499 6.075 1.420 1.00 12.02 C ATOM 310 CE1 PHE A 580 3.700 7.474 3.472 1.00 51.01 C ATOM 311 CE2 PHE A 580 3.711 5.647 1.929 1.00 51.44 C ATOM 312 CZ PHE A 580 4.311 6.347 2.957 1.00 62.34 C ATOM 0 H PHE A 580 -1.097 9.201 2.575 1.00 4.20 H new ATOM 0 HA PHE A 580 1.477 9.603 1.232 1.00 33.22 H new ATOM 0 HB2 PHE A 580 -0.241 7.344 2.039 1.00 13.13 H new ATOM 0 HB3 PHE A 580 0.388 7.178 0.412 1.00 13.13 H new ATOM 0 HD1 PHE A 580 2.013 8.776 3.367 1.00 30.43 H new ATOM 0 HD2 PHE A 580 2.033 5.524 0.617 1.00 12.02 H new ATOM 0 HE1 PHE A 580 4.169 8.024 4.274 1.00 51.01 H new ATOM 0 HE2 PHE A 580 4.188 4.767 1.523 1.00 51.44 H new ATOM 0 HZ PHE A 580 5.257 6.014 3.358 1.00 62.34 H new ATOM 321 N SER A 581 0.744 9.832 -1.137 1.00 44.33 N ATOM 322 CA SER A 581 0.304 10.166 -2.486 1.00 1.34 C ATOM 323 C SER A 581 -0.066 8.907 -3.265 1.00 40.44 C ATOM 324 O SER A 581 0.375 7.806 -2.933 1.00 14.32 O ATOM 325 CB SER A 581 1.402 10.933 -3.228 1.00 41.44 C ATOM 326 OG SER A 581 1.814 12.072 -2.491 1.00 2.45 O ATOM 0 H SER A 581 1.754 9.874 -1.000 1.00 44.33 H new ATOM 0 HA SER A 581 -0.581 10.797 -2.407 1.00 1.34 H new ATOM 0 HB2 SER A 581 2.256 10.278 -3.399 1.00 41.44 H new ATOM 0 HB3 SER A 581 1.036 11.242 -4.207 1.00 41.44 H new ATOM 0 HG SER A 581 2.517 12.544 -2.984 1.00 2.45 H new ATOM 331 N VAL A 582 -0.880 9.078 -4.302 1.00 3.30 N ATOM 332 CA VAL A 582 -1.309 7.957 -5.130 1.00 71.11 C ATOM 333 C VAL A 582 -0.116 7.140 -5.611 1.00 11.40 C ATOM 334 O VAL A 582 -0.225 5.933 -5.830 1.00 34.10 O ATOM 335 CB VAL A 582 -2.114 8.438 -6.351 1.00 11.10 C ATOM 336 CG1 VAL A 582 -2.518 7.258 -7.223 1.00 24.43 C ATOM 337 CG2 VAL A 582 -3.338 9.226 -5.907 1.00 40.33 C ATOM 0 H VAL A 582 -1.256 9.982 -4.589 1.00 3.30 H new ATOM 0 HA VAL A 582 -1.947 7.330 -4.507 1.00 71.11 H new ATOM 0 HB VAL A 582 -1.481 9.098 -6.944 1.00 11.10 H new ATOM 0 HG11 VAL A 582 -3.086 7.617 -8.081 1.00 24.43 H new ATOM 0 HG12 VAL A 582 -1.624 6.740 -7.571 1.00 24.43 H new ATOM 0 HG13 VAL A 582 -3.133 6.571 -6.643 1.00 24.43 H new ATOM 0 HG21 VAL A 582 -3.895 9.558 -6.783 1.00 40.33 H new ATOM 0 HG22 VAL A 582 -3.975 8.592 -5.291 1.00 40.33 H new ATOM 0 HG23 VAL A 582 -3.022 10.094 -5.328 1.00 40.33 H new ATOM 347 N ALA A 583 1.024 7.804 -5.772 1.00 75.23 N ATOM 348 CA ALA A 583 2.238 7.138 -6.225 1.00 64.52 C ATOM 349 C ALA A 583 2.774 6.189 -5.159 1.00 43.02 C ATOM 350 O ALA A 583 3.146 5.055 -5.455 1.00 12.12 O ATOM 351 CB ALA A 583 3.296 8.167 -6.598 1.00 55.11 C ATOM 0 H ALA A 583 1.132 8.803 -5.595 1.00 75.23 H new ATOM 0 HA ALA A 583 1.992 6.549 -7.108 1.00 64.52 H new ATOM 0 HB1 ALA A 583 4.198 7.656 -6.935 1.00 55.11 H new ATOM 0 HB2 ALA A 583 2.919 8.803 -7.399 1.00 55.11 H new ATOM 0 HB3 ALA A 583 3.530 8.780 -5.728 1.00 55.11 H new ATOM 357 N GLU A 584 2.811 6.662 -3.917 1.00 50.22 N ATOM 358 CA GLU A 584 3.304 5.854 -2.806 1.00 14.03 C ATOM 359 C GLU A 584 2.355 4.695 -2.515 1.00 62.24 C ATOM 360 O GLU A 584 2.767 3.535 -2.481 1.00 54.25 O ATOM 361 CB GLU A 584 3.472 6.717 -1.555 1.00 42.24 C ATOM 362 CG GLU A 584 4.369 7.925 -1.764 1.00 32.11 C ATOM 363 CD GLU A 584 5.758 7.728 -1.190 1.00 21.41 C ATOM 364 OE1 GLU A 584 6.473 6.821 -1.665 1.00 52.34 O ATOM 365 OE2 GLU A 584 6.130 8.481 -0.265 1.00 23.24 O ATOM 0 H GLU A 584 2.506 7.599 -3.655 1.00 50.22 H new ATOM 0 HA GLU A 584 4.274 5.445 -3.089 1.00 14.03 H new ATOM 0 HB2 GLU A 584 2.491 7.057 -1.224 1.00 42.24 H new ATOM 0 HB3 GLU A 584 3.884 6.104 -0.754 1.00 42.24 H new ATOM 0 HG2 GLU A 584 4.447 8.134 -2.831 1.00 32.11 H new ATOM 0 HG3 GLU A 584 3.909 8.798 -1.301 1.00 32.11 H new ATOM 370 N VAL A 585 1.083 5.018 -2.305 1.00 40.54 N ATOM 371 CA VAL A 585 0.075 4.005 -2.016 1.00 53.35 C ATOM 372 C VAL A 585 0.060 2.922 -3.090 1.00 51.23 C ATOM 373 O VAL A 585 -0.185 1.752 -2.801 1.00 45.32 O ATOM 374 CB VAL A 585 -1.331 4.625 -1.909 1.00 64.41 C ATOM 375 CG1 VAL A 585 -2.346 3.579 -1.477 1.00 13.41 C ATOM 376 CG2 VAL A 585 -1.322 5.802 -0.944 1.00 4.51 C ATOM 0 H VAL A 585 0.726 5.973 -2.330 1.00 40.54 H new ATOM 0 HA VAL A 585 0.341 3.559 -1.058 1.00 53.35 H new ATOM 0 HB VAL A 585 -1.622 4.993 -2.893 1.00 64.41 H new ATOM 0 HG11 VAL A 585 -3.333 4.037 -1.407 1.00 13.41 H new ATOM 0 HG12 VAL A 585 -2.371 2.772 -2.209 1.00 13.41 H new ATOM 0 HG13 VAL A 585 -2.063 3.177 -0.504 1.00 13.41 H new ATOM 0 HG21 VAL A 585 -2.323 6.228 -0.880 1.00 4.51 H new ATOM 0 HG22 VAL A 585 -1.009 5.461 0.043 1.00 4.51 H new ATOM 0 HG23 VAL A 585 -0.627 6.561 -1.302 1.00 4.51 H new ATOM 386 N GLU A 586 0.324 3.323 -4.329 1.00 32.14 N ATOM 387 CA GLU A 586 0.341 2.386 -5.447 1.00 33.14 C ATOM 388 C GLU A 586 1.422 1.327 -5.253 1.00 51.25 C ATOM 389 O GLU A 586 1.156 0.129 -5.345 1.00 15.33 O ATOM 390 CB GLU A 586 0.573 3.132 -6.763 1.00 24.12 C ATOM 391 CG GLU A 586 -0.711 3.535 -7.468 1.00 33.01 C ATOM 392 CD GLU A 586 -0.489 4.610 -8.515 1.00 70.20 C ATOM 393 OE1 GLU A 586 0.569 5.272 -8.471 1.00 30.41 O ATOM 394 OE2 GLU A 586 -1.373 4.788 -9.379 1.00 4.41 O ATOM 0 H GLU A 586 0.529 4.289 -4.584 1.00 32.14 H new ATOM 0 HA GLU A 586 -0.628 1.888 -5.485 1.00 33.14 H new ATOM 0 HB2 GLU A 586 1.165 4.026 -6.565 1.00 24.12 H new ATOM 0 HB3 GLU A 586 1.161 2.501 -7.430 1.00 24.12 H new ATOM 0 HG2 GLU A 586 -1.152 2.658 -7.941 1.00 33.01 H new ATOM 0 HG3 GLU A 586 -1.429 3.894 -6.730 1.00 33.01 H new ATOM 399 N ALA A 587 2.642 1.778 -4.984 1.00 64.13 N ATOM 400 CA ALA A 587 3.763 0.870 -4.775 1.00 3.43 C ATOM 401 C ALA A 587 3.559 0.023 -3.523 1.00 71.12 C ATOM 402 O ALA A 587 3.855 -1.172 -3.514 1.00 21.12 O ATOM 403 CB ALA A 587 5.065 1.652 -4.679 1.00 63.14 C ATOM 0 H ALA A 587 2.880 2.767 -4.906 1.00 64.13 H new ATOM 0 HA ALA A 587 3.818 0.198 -5.631 1.00 3.43 H new ATOM 0 HB1 ALA A 587 5.894 0.961 -4.523 1.00 63.14 H new ATOM 0 HB2 ALA A 587 5.225 2.207 -5.603 1.00 63.14 H new ATOM 0 HB3 ALA A 587 5.010 2.348 -3.842 1.00 63.14 H new ATOM 409 N LEU A 588 3.052 0.650 -2.467 1.00 74.22 N ATOM 410 CA LEU A 588 2.807 -0.046 -1.208 1.00 3.03 C ATOM 411 C LEU A 588 1.854 -1.219 -1.411 1.00 55.15 C ATOM 412 O LEU A 588 2.162 -2.354 -1.049 1.00 61.42 O ATOM 413 CB LEU A 588 2.233 0.921 -0.171 1.00 14.21 C ATOM 414 CG LEU A 588 2.540 0.596 1.291 1.00 75.42 C ATOM 415 CD1 LEU A 588 2.146 -0.837 1.613 1.00 63.05 C ATOM 416 CD2 LEU A 588 4.013 0.827 1.591 1.00 12.23 C ATOM 0 H LEU A 588 2.803 1.639 -2.457 1.00 74.22 H new ATOM 0 HA LEU A 588 3.758 -0.434 -0.845 1.00 3.03 H new ATOM 0 HB2 LEU A 588 2.611 1.920 -0.387 1.00 14.21 H new ATOM 0 HB3 LEU A 588 1.151 0.955 -0.295 1.00 14.21 H new ATOM 0 HG LEU A 588 1.953 1.263 1.923 1.00 75.42 H new ATOM 0 HD11 LEU A 588 2.372 -1.050 2.658 1.00 63.05 H new ATOM 0 HD12 LEU A 588 1.078 -0.969 1.438 1.00 63.05 H new ATOM 0 HD13 LEU A 588 2.705 -1.520 0.974 1.00 63.05 H new ATOM 0 HD21 LEU A 588 4.213 0.591 2.636 1.00 12.23 H new ATOM 0 HD22 LEU A 588 4.619 0.186 0.951 1.00 12.23 H new ATOM 0 HD23 LEU A 588 4.264 1.871 1.401 1.00 12.23 H new ATOM 427 N VAL A 589 0.692 -0.936 -1.994 1.00 2.22 N ATOM 428 CA VAL A 589 -0.307 -1.968 -2.248 1.00 65.11 C ATOM 429 C VAL A 589 0.197 -2.980 -3.272 1.00 33.23 C ATOM 430 O VAL A 589 0.204 -4.183 -3.018 1.00 24.12 O ATOM 431 CB VAL A 589 -1.628 -1.358 -2.752 1.00 62.02 C ATOM 432 CG1 VAL A 589 -2.661 -2.448 -2.994 1.00 22.52 C ATOM 433 CG2 VAL A 589 -2.150 -0.328 -1.761 1.00 54.42 C ATOM 0 H VAL A 589 0.420 -0.001 -2.299 1.00 2.22 H new ATOM 0 HA VAL A 589 -0.488 -2.474 -1.300 1.00 65.11 H new ATOM 0 HB VAL A 589 -1.438 -0.854 -3.700 1.00 62.02 H new ATOM 0 HG11 VAL A 589 -3.588 -1.998 -3.350 1.00 22.52 H new ATOM 0 HG12 VAL A 589 -2.285 -3.146 -3.743 1.00 22.52 H new ATOM 0 HG13 VAL A 589 -2.851 -2.982 -2.063 1.00 22.52 H new ATOM 0 HG21 VAL A 589 -3.084 0.093 -2.132 1.00 54.42 H new ATOM 0 HG22 VAL A 589 -2.326 -0.806 -0.797 1.00 54.42 H new ATOM 0 HG23 VAL A 589 -1.415 0.468 -1.642 1.00 54.42 H new ATOM 443 N GLU A 590 0.617 -2.481 -4.431 1.00 34.11 N ATOM 444 CA GLU A 590 1.121 -3.342 -5.494 1.00 53.31 C ATOM 445 C GLU A 590 2.185 -4.298 -4.962 1.00 61.22 C ATOM 446 O GLU A 590 2.149 -5.497 -5.233 1.00 42.34 O ATOM 447 CB GLU A 590 1.700 -2.499 -6.632 1.00 34.21 C ATOM 448 CG GLU A 590 0.641 -1.843 -7.503 1.00 4.55 C ATOM 449 CD GLU A 590 0.255 -2.698 -8.694 1.00 10.43 C ATOM 450 OE1 GLU A 590 0.374 -3.937 -8.598 1.00 0.24 O ATOM 451 OE2 GLU A 590 -0.166 -2.128 -9.723 1.00 11.30 O ATOM 0 H GLU A 590 0.618 -1.486 -4.657 1.00 34.11 H new ATOM 0 HA GLU A 590 0.287 -3.931 -5.876 1.00 53.31 H new ATOM 0 HB2 GLU A 590 2.342 -1.725 -6.210 1.00 34.21 H new ATOM 0 HB3 GLU A 590 2.331 -3.131 -7.256 1.00 34.21 H new ATOM 0 HG2 GLU A 590 -0.246 -1.642 -6.902 1.00 4.55 H new ATOM 0 HG3 GLU A 590 1.011 -0.880 -7.856 1.00 4.55 H new ATOM 456 N ALA A 591 3.132 -3.755 -4.203 1.00 24.34 N ATOM 457 CA ALA A 591 4.206 -4.558 -3.630 1.00 13.05 C ATOM 458 C ALA A 591 3.665 -5.546 -2.603 1.00 33.51 C ATOM 459 O ALA A 591 4.131 -6.681 -2.513 1.00 45.41 O ATOM 460 CB ALA A 591 5.259 -3.659 -2.999 1.00 15.21 C ATOM 0 H ALA A 591 3.177 -2.763 -3.971 1.00 24.34 H new ATOM 0 HA ALA A 591 4.668 -5.129 -4.435 1.00 13.05 H new ATOM 0 HB1 ALA A 591 6.054 -4.272 -2.575 1.00 15.21 H new ATOM 0 HB2 ALA A 591 5.676 -2.998 -3.759 1.00 15.21 H new ATOM 0 HB3 ALA A 591 4.802 -3.062 -2.210 1.00 15.21 H new ATOM 466 N VAL A 592 2.678 -5.106 -1.829 1.00 62.00 N ATOM 467 CA VAL A 592 2.073 -5.952 -0.807 1.00 53.05 C ATOM 468 C VAL A 592 1.260 -7.077 -1.436 1.00 51.23 C ATOM 469 O VAL A 592 1.088 -8.140 -0.840 1.00 5.40 O ATOM 470 CB VAL A 592 1.162 -5.137 0.129 1.00 74.03 C ATOM 471 CG1 VAL A 592 0.199 -6.053 0.869 1.00 60.54 C ATOM 472 CG2 VAL A 592 1.995 -4.324 1.109 1.00 71.22 C ATOM 0 H VAL A 592 2.280 -4.169 -1.890 1.00 62.00 H new ATOM 0 HA VAL A 592 2.890 -6.379 -0.225 1.00 53.05 H new ATOM 0 HB VAL A 592 0.576 -4.445 -0.476 1.00 74.03 H new ATOM 0 HG11 VAL A 592 -0.436 -5.459 1.526 1.00 60.54 H new ATOM 0 HG12 VAL A 592 -0.421 -6.587 0.149 1.00 60.54 H new ATOM 0 HG13 VAL A 592 0.764 -6.771 1.463 1.00 60.54 H new ATOM 0 HG21 VAL A 592 1.335 -3.754 1.763 1.00 71.22 H new ATOM 0 HG22 VAL A 592 2.609 -4.996 1.709 1.00 71.22 H new ATOM 0 HG23 VAL A 592 2.639 -3.639 0.558 1.00 71.22 H new ATOM 482 N GLU A 593 0.761 -6.836 -2.645 1.00 44.32 N ATOM 483 CA GLU A 593 -0.034 -7.831 -3.354 1.00 11.14 C ATOM 484 C GLU A 593 0.848 -8.959 -3.882 1.00 64.23 C ATOM 485 O GLU A 593 0.447 -10.123 -3.892 1.00 72.34 O ATOM 486 CB GLU A 593 -0.792 -7.178 -4.512 1.00 54.02 C ATOM 487 CG GLU A 593 -2.270 -6.964 -4.229 1.00 63.44 C ATOM 488 CD GLU A 593 -3.160 -7.868 -5.059 1.00 74.23 C ATOM 489 OE1 GLU A 593 -2.849 -8.075 -6.250 1.00 13.43 O ATOM 490 OE2 GLU A 593 -4.168 -8.367 -4.516 1.00 75.32 O ATOM 0 H GLU A 593 0.893 -5.961 -3.153 1.00 44.32 H new ATOM 0 HA GLU A 593 -0.751 -8.254 -2.650 1.00 11.14 H new ATOM 0 HB2 GLU A 593 -0.332 -6.217 -4.740 1.00 54.02 H new ATOM 0 HB3 GLU A 593 -0.687 -7.801 -5.401 1.00 54.02 H new ATOM 0 HG2 GLU A 593 -2.463 -7.142 -3.171 1.00 63.44 H new ATOM 0 HG3 GLU A 593 -2.527 -5.924 -4.429 1.00 63.44 H new ATOM 495 N HIS A 594 2.053 -8.605 -4.319 1.00 55.35 N ATOM 496 CA HIS A 594 2.993 -9.587 -4.847 1.00 11.12 C ATOM 497 C HIS A 594 3.801 -10.226 -3.722 1.00 14.01 C ATOM 498 O HIS A 594 3.942 -11.448 -3.663 1.00 43.33 O ATOM 499 CB HIS A 594 3.934 -8.930 -5.858 1.00 32.10 C ATOM 500 CG HIS A 594 4.547 -9.898 -6.822 1.00 1.50 C ATOM 501 ND1 HIS A 594 4.341 -9.836 -8.185 1.00 63.31 N ATOM 502 CD2 HIS A 594 5.366 -10.956 -6.615 1.00 11.35 C ATOM 503 CE1 HIS A 594 5.006 -10.814 -8.773 1.00 32.25 C ATOM 504 NE2 HIS A 594 5.636 -11.508 -7.843 1.00 31.03 N ATOM 0 H HIS A 594 2.401 -7.646 -4.318 1.00 55.35 H new ATOM 0 HA HIS A 594 2.421 -10.368 -5.348 1.00 11.12 H new ATOM 0 HB2 HIS A 594 3.383 -8.173 -6.417 1.00 32.10 H new ATOM 0 HB3 HIS A 594 4.729 -8.413 -5.320 1.00 32.10 H new ATOM 0 HD2 HIS A 594 5.738 -11.301 -5.662 1.00 11.35 H new ATOM 0 HE1 HIS A 594 5.030 -11.012 -9.834 1.00 32.25 H new ATOM 0 HE2 HIS A 594 6.227 -12.322 -8.010 1.00 31.03 H new ATOM 511 N LEU A 595 4.329 -9.393 -2.833 1.00 72.25 N ATOM 512 CA LEU A 595 5.124 -9.876 -1.709 1.00 15.43 C ATOM 513 C LEU A 595 4.227 -10.389 -0.588 1.00 75.43 C ATOM 514 O LEU A 595 4.640 -11.216 0.225 1.00 34.51 O ATOM 515 CB LEU A 595 6.031 -8.762 -1.184 1.00 24.12 C ATOM 516 CG LEU A 595 7.276 -8.460 -2.019 1.00 61.13 C ATOM 517 CD1 LEU A 595 8.061 -9.735 -2.286 1.00 31.03 C ATOM 518 CD2 LEU A 595 6.889 -7.784 -3.327 1.00 2.52 C ATOM 0 H LEU A 595 4.221 -8.379 -2.868 1.00 72.25 H new ATOM 0 HA LEU A 595 5.741 -10.702 -2.061 1.00 15.43 H new ATOM 0 HB2 LEU A 595 5.442 -7.849 -1.104 1.00 24.12 H new ATOM 0 HB3 LEU A 595 6.350 -9.025 -0.175 1.00 24.12 H new ATOM 0 HG LEU A 595 7.913 -7.778 -1.456 1.00 61.13 H new ATOM 0 HD11 LEU A 595 8.943 -9.501 -2.881 1.00 31.03 H new ATOM 0 HD12 LEU A 595 8.369 -10.178 -1.339 1.00 31.03 H new ATOM 0 HD13 LEU A 595 7.434 -10.442 -2.829 1.00 31.03 H new ATOM 0 HD21 LEU A 595 7.787 -7.576 -3.909 1.00 2.52 H new ATOM 0 HD22 LEU A 595 6.232 -8.442 -3.896 1.00 2.52 H new ATOM 0 HD23 LEU A 595 6.370 -6.849 -3.114 1.00 2.52 H new ATOM 529 N GLY A 596 2.993 -9.892 -0.550 1.00 50.33 N ATOM 530 CA GLY A 596 2.056 -10.313 0.475 1.00 52.03 C ATOM 531 C GLY A 596 2.239 -9.555 1.775 1.00 20.14 C ATOM 532 O GLY A 596 3.039 -8.621 1.852 1.00 14.05 O ATOM 0 H GLY A 596 2.627 -9.206 -1.210 1.00 50.33 H new ATOM 0 HA2 GLY A 596 1.038 -10.168 0.114 1.00 52.03 H new ATOM 0 HA3 GLY A 596 2.180 -11.380 0.660 1.00 52.03 H new ATOM 536 N THR A 597 1.497 -9.957 2.802 1.00 53.02 N ATOM 537 CA THR A 597 1.579 -9.308 4.105 1.00 22.35 C ATOM 538 C THR A 597 2.571 -10.024 5.014 1.00 20.11 C ATOM 539 O THR A 597 2.488 -9.928 6.237 1.00 40.35 O ATOM 540 CB THR A 597 0.204 -9.263 4.798 1.00 63.32 C ATOM 541 OG1 THR A 597 -0.516 -10.473 4.537 1.00 22.30 O ATOM 542 CG2 THR A 597 -0.607 -8.070 4.315 1.00 33.55 C ATOM 0 H THR A 597 0.832 -10.729 2.757 1.00 53.02 H new ATOM 0 HA THR A 597 1.922 -8.288 3.929 1.00 22.35 H new ATOM 0 HB THR A 597 0.366 -9.161 5.871 1.00 63.32 H new ATOM 0 HG1 THR A 597 -1.388 -10.437 4.982 1.00 22.30 H new ATOM 0 HG21 THR A 597 -1.574 -8.059 4.818 1.00 33.55 H new ATOM 0 HG22 THR A 597 -0.070 -7.149 4.542 1.00 33.55 H new ATOM 0 HG23 THR A 597 -0.759 -8.146 3.238 1.00 33.55 H new ATOM 550 N GLY A 598 3.511 -10.743 4.407 1.00 72.13 N ATOM 551 CA GLY A 598 4.506 -11.465 5.178 1.00 1.53 C ATOM 552 C GLY A 598 5.922 -11.051 4.829 1.00 63.24 C ATOM 553 O GLY A 598 6.866 -11.374 5.551 1.00 74.02 O ATOM 0 H GLY A 598 3.601 -10.838 3.395 1.00 72.13 H new ATOM 0 HA2 GLY A 598 4.332 -11.294 6.240 1.00 1.53 H new ATOM 0 HA3 GLY A 598 4.390 -12.535 5.004 1.00 1.53 H new ATOM 557 N ARG A 599 6.071 -10.336 3.720 1.00 73.41 N ATOM 558 CA ARG A 599 7.383 -9.879 3.275 1.00 50.53 C ATOM 559 C ARG A 599 7.432 -8.357 3.201 1.00 60.44 C ATOM 560 O ARG A 599 7.338 -7.774 2.120 1.00 21.02 O ATOM 561 CB ARG A 599 7.719 -10.479 1.909 1.00 12.14 C ATOM 562 CG ARG A 599 8.066 -11.957 1.960 1.00 44.54 C ATOM 563 CD ARG A 599 7.911 -12.614 0.598 1.00 13.10 C ATOM 564 NE ARG A 599 7.424 -13.988 0.705 1.00 24.40 N ATOM 565 CZ ARG A 599 7.437 -14.852 -0.304 1.00 71.11 C ATOM 566 NH1 ARG A 599 7.909 -14.488 -1.488 1.00 22.01 N ATOM 567 NH2 ARG A 599 6.977 -16.084 -0.128 1.00 12.33 N ATOM 0 H ARG A 599 5.300 -10.060 3.112 1.00 73.41 H new ATOM 0 HA ARG A 599 8.123 -10.213 4.002 1.00 50.53 H new ATOM 0 HB2 ARG A 599 6.870 -10.337 1.241 1.00 12.14 H new ATOM 0 HB3 ARG A 599 8.558 -9.932 1.478 1.00 12.14 H new ATOM 0 HG2 ARG A 599 9.091 -12.079 2.309 1.00 44.54 H new ATOM 0 HG3 ARG A 599 7.422 -12.458 2.682 1.00 44.54 H new ATOM 0 HD2 ARG A 599 7.219 -12.030 -0.009 1.00 13.10 H new ATOM 0 HD3 ARG A 599 8.871 -12.609 0.082 1.00 13.10 H new ATOM 0 HE ARG A 599 7.054 -14.300 1.603 1.00 24.40 H new ATOM 0 HH11 ARG A 599 8.264 -13.542 -1.627 1.00 22.01 H new ATOM 0 HH12 ARG A 599 7.917 -15.154 -2.260 1.00 22.01 H new ATOM 0 HH21 ARG A 599 6.613 -16.368 0.782 1.00 12.33 H new ATOM 0 HH22 ARG A 599 6.987 -16.748 -0.903 1.00 12.33 H new ATOM 578 N TRP A 600 7.579 -7.717 4.356 1.00 24.13 N ATOM 579 CA TRP A 600 7.640 -6.261 4.422 1.00 1.45 C ATOM 580 C TRP A 600 8.928 -5.741 3.792 1.00 3.44 C ATOM 581 O TRP A 600 8.899 -4.844 2.949 1.00 41.33 O ATOM 582 CB TRP A 600 7.543 -5.792 5.874 1.00 21.50 C ATOM 583 CG TRP A 600 6.473 -6.493 6.654 1.00 43.21 C ATOM 584 CD1 TRP A 600 5.165 -6.650 6.294 1.00 71.41 C ATOM 585 CD2 TRP A 600 6.619 -7.130 7.928 1.00 41.02 C ATOM 586 NE1 TRP A 600 4.489 -7.346 7.267 1.00 71.32 N ATOM 587 CE2 TRP A 600 5.359 -7.653 8.280 1.00 61.33 C ATOM 588 CE3 TRP A 600 7.692 -7.311 8.805 1.00 71.23 C ATOM 589 CZ2 TRP A 600 5.146 -8.342 9.470 1.00 42.41 C ATOM 590 CZ3 TRP A 600 7.478 -7.995 9.987 1.00 72.01 C ATOM 591 CH2 TRP A 600 6.213 -8.505 10.310 1.00 62.41 C ATOM 0 H TRP A 600 7.658 -8.184 5.260 1.00 24.13 H new ATOM 0 HA TRP A 600 6.796 -5.861 3.861 1.00 1.45 H new ATOM 0 HB2 TRP A 600 8.503 -5.951 6.365 1.00 21.50 H new ATOM 0 HB3 TRP A 600 7.350 -4.719 5.890 1.00 21.50 H new ATOM 0 HD1 TRP A 600 4.726 -6.281 5.379 1.00 71.41 H new ATOM 0 HE1 TRP A 600 3.500 -7.594 7.240 1.00 71.32 H new ATOM 0 HE3 TRP A 600 8.671 -6.923 8.564 1.00 71.23 H new ATOM 0 HZ2 TRP A 600 4.172 -8.734 9.722 1.00 42.41 H new ATOM 0 HZ3 TRP A 600 8.299 -8.139 10.673 1.00 72.01 H new ATOM 0 HH2 TRP A 600 6.078 -9.037 11.240 1.00 62.41 H new ATOM 601 N ARG A 601 10.056 -6.312 4.204 1.00 71.22 N ATOM 602 CA ARG A 601 11.353 -5.904 3.681 1.00 4.12 C ATOM 603 C ARG A 601 11.361 -5.944 2.155 1.00 53.25 C ATOM 604 O ARG A 601 11.908 -5.055 1.504 1.00 34.25 O ATOM 605 CB ARG A 601 12.457 -6.810 4.230 1.00 62.05 C ATOM 606 CG ARG A 601 12.532 -6.825 5.748 1.00 25.31 C ATOM 607 CD ARG A 601 13.630 -7.755 6.242 1.00 54.30 C ATOM 608 NE ARG A 601 13.472 -8.084 7.656 1.00 62.35 N ATOM 609 CZ ARG A 601 14.210 -8.991 8.286 1.00 41.14 C ATOM 610 NH1 ARG A 601 15.149 -9.658 7.631 1.00 22.50 N ATOM 611 NH2 ARG A 601 14.008 -9.234 9.575 1.00 71.32 N ATOM 0 H ARG A 601 10.097 -7.058 4.898 1.00 71.22 H new ATOM 0 HA ARG A 601 11.540 -4.879 4.002 1.00 4.12 H new ATOM 0 HB2 ARG A 601 12.293 -7.827 3.872 1.00 62.05 H new ATOM 0 HB3 ARG A 601 13.417 -6.483 3.830 1.00 62.05 H new ATOM 0 HG2 ARG A 601 12.717 -5.815 6.114 1.00 25.31 H new ATOM 0 HG3 ARG A 601 11.573 -7.142 6.158 1.00 25.31 H new ATOM 0 HD2 ARG A 601 13.621 -8.672 5.653 1.00 54.30 H new ATOM 0 HD3 ARG A 601 14.601 -7.285 6.085 1.00 54.30 H new ATOM 0 HE ARG A 601 12.756 -7.590 8.189 1.00 62.35 H new ATOM 0 HH11 ARG A 601 15.307 -9.476 6.640 1.00 22.50 H new ATOM 0 HH12 ARG A 601 15.714 -10.354 8.118 1.00 22.50 H new ATOM 0 HH21 ARG A 601 13.285 -8.724 10.083 1.00 71.32 H new ATOM 0 HH22 ARG A 601 14.575 -9.931 10.058 1.00 71.32 H new ATOM 622 N ASP A 602 10.750 -6.982 1.593 1.00 25.50 N ATOM 623 CA ASP A 602 10.686 -7.138 0.145 1.00 31.15 C ATOM 624 C ASP A 602 9.801 -6.063 -0.479 1.00 54.31 C ATOM 625 O ASP A 602 10.018 -5.649 -1.618 1.00 53.25 O ATOM 626 CB ASP A 602 10.156 -8.526 -0.217 1.00 43.00 C ATOM 627 CG ASP A 602 10.957 -9.638 0.430 1.00 50.45 C ATOM 628 OD1 ASP A 602 12.044 -9.348 0.972 1.00 60.12 O ATOM 629 OD2 ASP A 602 10.497 -10.799 0.395 1.00 3.51 O ATOM 0 H ASP A 602 10.292 -7.727 2.118 1.00 25.50 H new ATOM 0 HA ASP A 602 11.695 -7.028 -0.252 1.00 31.15 H new ATOM 0 HB2 ASP A 602 9.114 -8.606 0.092 1.00 43.00 H new ATOM 0 HB3 ASP A 602 10.178 -8.649 -1.300 1.00 43.00 H new ATOM 633 N VAL A 603 8.801 -5.616 0.274 1.00 64.15 N ATOM 634 CA VAL A 603 7.883 -4.590 -0.204 1.00 43.35 C ATOM 635 C VAL A 603 8.557 -3.224 -0.242 1.00 32.03 C ATOM 636 O VAL A 603 8.252 -2.392 -1.098 1.00 53.31 O ATOM 637 CB VAL A 603 6.626 -4.505 0.683 1.00 74.03 C ATOM 638 CG1 VAL A 603 5.814 -3.265 0.342 1.00 31.44 C ATOM 639 CG2 VAL A 603 5.783 -5.762 0.533 1.00 74.11 C ATOM 0 H VAL A 603 8.606 -5.949 1.218 1.00 64.15 H new ATOM 0 HA VAL A 603 7.588 -4.875 -1.214 1.00 43.35 H new ATOM 0 HB VAL A 603 6.941 -4.428 1.724 1.00 74.03 H new ATOM 0 HG11 VAL A 603 4.930 -3.222 0.979 1.00 31.44 H new ATOM 0 HG12 VAL A 603 6.422 -2.375 0.505 1.00 31.44 H new ATOM 0 HG13 VAL A 603 5.507 -3.307 -0.703 1.00 31.44 H new ATOM 0 HG21 VAL A 603 4.899 -5.685 1.166 1.00 74.11 H new ATOM 0 HG22 VAL A 603 5.476 -5.872 -0.507 1.00 74.11 H new ATOM 0 HG23 VAL A 603 6.369 -6.631 0.832 1.00 74.11 H new ATOM 649 N LYS A 604 9.477 -2.997 0.689 1.00 32.01 N ATOM 650 CA LYS A 604 10.199 -1.732 0.762 1.00 75.41 C ATOM 651 C LYS A 604 11.189 -1.604 -0.391 1.00 65.44 C ATOM 652 O LYS A 604 11.322 -0.539 -0.992 1.00 61.13 O ATOM 653 CB LYS A 604 10.935 -1.617 2.098 1.00 62.03 C ATOM 654 CG LYS A 604 11.894 -0.442 2.164 1.00 24.52 C ATOM 655 CD LYS A 604 12.503 -0.295 3.549 1.00 51.41 C ATOM 656 CE LYS A 604 13.740 -1.166 3.709 1.00 11.31 C ATOM 657 NZ LYS A 604 13.400 -2.524 4.216 1.00 52.30 N ATOM 0 H LYS A 604 9.741 -3.674 1.405 1.00 32.01 H new ATOM 0 HA LYS A 604 9.473 -0.923 0.685 1.00 75.41 H new ATOM 0 HB2 LYS A 604 10.203 -1.523 2.900 1.00 62.03 H new ATOM 0 HB3 LYS A 604 11.489 -2.538 2.279 1.00 62.03 H new ATOM 0 HG2 LYS A 604 12.688 -0.577 1.429 1.00 24.52 H new ATOM 0 HG3 LYS A 604 11.367 0.474 1.898 1.00 24.52 H new ATOM 0 HD2 LYS A 604 12.766 0.748 3.723 1.00 51.41 H new ATOM 0 HD3 LYS A 604 11.765 -0.568 4.303 1.00 51.41 H new ATOM 0 HE2 LYS A 604 14.249 -1.254 2.749 1.00 11.31 H new ATOM 0 HE3 LYS A 604 14.436 -0.685 4.396 1.00 11.31 H new ATOM 0 HZ1 LYS A 604 13.802 -2.650 5.167 1.00 52.30 H new ATOM 0 HZ2 LYS A 604 12.366 -2.629 4.260 1.00 52.30 H new ATOM 0 HZ3 LYS A 604 13.794 -3.242 3.575 1.00 52.30 H new ATOM 667 N MET A 605 11.883 -2.697 -0.693 1.00 54.51 N ATOM 668 CA MET A 605 12.860 -2.706 -1.775 1.00 41.10 C ATOM 669 C MET A 605 12.168 -2.682 -3.133 1.00 11.14 C ATOM 670 O MET A 605 12.694 -2.131 -4.100 1.00 23.11 O ATOM 671 CB MET A 605 13.758 -3.941 -1.669 1.00 60.04 C ATOM 672 CG MET A 605 13.030 -5.247 -1.941 1.00 65.11 C ATOM 673 SD MET A 605 14.124 -6.679 -1.876 1.00 32.40 S ATOM 674 CE MET A 605 14.791 -6.520 -0.221 1.00 25.34 C ATOM 0 H MET A 605 11.787 -3.587 -0.204 1.00 54.51 H new ATOM 0 HA MET A 605 13.474 -1.810 -1.684 1.00 41.10 H new ATOM 0 HB2 MET A 605 14.584 -3.841 -2.374 1.00 60.04 H new ATOM 0 HB3 MET A 605 14.194 -3.979 -0.671 1.00 60.04 H new ATOM 0 HG2 MET A 605 12.231 -5.372 -1.210 1.00 65.11 H new ATOM 0 HG3 MET A 605 12.559 -5.198 -2.923 1.00 65.11 H new ATOM 0 HE1 MET A 605 15.222 -7.471 0.091 1.00 25.34 H new ATOM 0 HE2 MET A 605 15.564 -5.751 -0.212 1.00 25.34 H new ATOM 0 HE3 MET A 605 13.994 -6.240 0.467 1.00 25.34 H new ATOM 682 N ARG A 606 10.985 -3.284 -3.200 1.00 14.43 N ATOM 683 CA ARG A 606 10.220 -3.333 -4.441 1.00 25.34 C ATOM 684 C ARG A 606 9.469 -2.025 -4.668 1.00 21.40 C ATOM 685 O ARG A 606 9.398 -1.525 -5.791 1.00 63.23 O ATOM 686 CB ARG A 606 9.235 -4.502 -4.413 1.00 42.41 C ATOM 687 CG ARG A 606 8.192 -4.447 -5.517 1.00 32.42 C ATOM 688 CD ARG A 606 7.699 -5.836 -5.888 1.00 52.53 C ATOM 689 NE ARG A 606 7.313 -5.924 -7.294 1.00 63.50 N ATOM 690 CZ ARG A 606 8.187 -5.992 -8.292 1.00 0.01 C ATOM 691 NH1 ARG A 606 9.489 -5.984 -8.040 1.00 53.21 N ATOM 692 NH2 ARG A 606 7.758 -6.070 -9.546 1.00 3.24 N ATOM 0 H ARG A 606 10.535 -3.745 -2.409 1.00 14.43 H new ATOM 0 HA ARG A 606 10.920 -3.478 -5.264 1.00 25.34 H new ATOM 0 HB2 ARG A 606 9.791 -5.436 -4.496 1.00 42.41 H new ATOM 0 HB3 ARG A 606 8.729 -4.517 -3.448 1.00 42.41 H new ATOM 0 HG2 ARG A 606 7.350 -3.835 -5.193 1.00 32.42 H new ATOM 0 HG3 ARG A 606 8.617 -3.964 -6.397 1.00 32.42 H new ATOM 0 HD2 ARG A 606 8.482 -6.566 -5.681 1.00 52.53 H new ATOM 0 HD3 ARG A 606 6.846 -6.097 -5.261 1.00 52.53 H new ATOM 0 HE ARG A 606 6.319 -5.934 -7.522 1.00 63.50 H new ATOM 0 HH11 ARG A 606 9.822 -5.926 -7.078 1.00 53.21 H new ATOM 0 HH12 ARG A 606 10.158 -6.036 -8.809 1.00 53.21 H new ATOM 0 HH21 ARG A 606 6.757 -6.078 -9.743 1.00 3.24 H new ATOM 0 HH22 ARG A 606 8.429 -6.122 -10.312 1.00 3.24 H new ATOM 703 N ALA A 607 8.908 -1.477 -3.596 1.00 61.44 N ATOM 704 CA ALA A 607 8.163 -0.227 -3.677 1.00 30.40 C ATOM 705 C ALA A 607 9.104 0.973 -3.695 1.00 33.44 C ATOM 706 O ALA A 607 9.229 1.661 -4.709 1.00 32.01 O ATOM 707 CB ALA A 607 7.187 -0.117 -2.514 1.00 14.02 C ATOM 0 H ALA A 607 8.955 -1.879 -2.660 1.00 61.44 H new ATOM 0 HA ALA A 607 7.600 -0.229 -4.610 1.00 30.40 H new ATOM 0 HB1 ALA A 607 6.638 0.822 -2.588 1.00 14.02 H new ATOM 0 HB2 ALA A 607 6.486 -0.951 -2.547 1.00 14.02 H new ATOM 0 HB3 ALA A 607 7.737 -0.142 -1.573 1.00 14.02 H new ATOM 713 N PHE A 608 9.763 1.220 -2.568 1.00 0.45 N ATOM 714 CA PHE A 608 10.691 2.339 -2.454 1.00 10.11 C ATOM 715 C PHE A 608 11.967 2.068 -3.246 1.00 30.54 C ATOM 716 O PHE A 608 12.635 1.055 -3.041 1.00 22.13 O ATOM 717 CB PHE A 608 11.033 2.598 -0.986 1.00 44.10 C ATOM 718 CG PHE A 608 9.841 2.962 -0.147 1.00 30.14 C ATOM 719 CD1 PHE A 608 8.977 1.982 0.314 1.00 23.20 C ATOM 720 CD2 PHE A 608 9.585 4.284 0.177 1.00 65.41 C ATOM 721 CE1 PHE A 608 7.880 2.314 1.086 1.00 60.41 C ATOM 722 CE2 PHE A 608 8.490 4.622 0.949 1.00 10.20 C ATOM 723 CZ PHE A 608 7.635 3.636 1.404 1.00 11.25 C ATOM 0 H PHE A 608 9.672 0.660 -1.720 1.00 0.45 H new ATOM 0 HA PHE A 608 10.208 3.224 -2.868 1.00 10.11 H new ATOM 0 HB2 PHE A 608 11.503 1.708 -0.568 1.00 44.10 H new ATOM 0 HB3 PHE A 608 11.767 3.402 -0.929 1.00 44.10 H new ATOM 0 HD1 PHE A 608 9.163 0.947 0.067 1.00 23.20 H new ATOM 0 HD2 PHE A 608 10.248 5.059 -0.178 1.00 65.41 H new ATOM 0 HE1 PHE A 608 7.215 1.541 1.440 1.00 60.41 H new ATOM 0 HE2 PHE A 608 8.302 5.656 1.197 1.00 10.20 H new ATOM 0 HZ PHE A 608 6.778 3.898 2.006 1.00 11.25 H new ATOM 732 N ASP A 609 12.300 2.983 -4.151 1.00 52.22 N ATOM 733 CA ASP A 609 13.495 2.844 -4.973 1.00 31.25 C ATOM 734 C ASP A 609 14.754 3.083 -4.146 1.00 4.13 C ATOM 735 O ASP A 609 15.791 2.463 -4.382 1.00 14.31 O ATOM 736 CB ASP A 609 13.449 3.824 -6.148 1.00 10.30 C ATOM 737 CG ASP A 609 14.270 3.350 -7.331 1.00 45.24 C ATOM 738 OD1 ASP A 609 14.935 2.300 -7.209 1.00 25.10 O ATOM 739 OD2 ASP A 609 14.248 4.029 -8.378 1.00 53.53 O ATOM 0 H ASP A 609 11.759 3.828 -4.333 1.00 52.22 H new ATOM 0 HA ASP A 609 13.523 1.825 -5.360 1.00 31.25 H new ATOM 0 HB2 ASP A 609 12.414 3.963 -6.460 1.00 10.30 H new ATOM 0 HB3 ASP A 609 13.817 4.796 -5.821 1.00 10.30 H new ATOM 743 N ASN A 610 14.657 3.987 -3.177 1.00 11.34 N ATOM 744 CA ASN A 610 15.789 4.309 -2.316 1.00 23.21 C ATOM 745 C ASN A 610 15.500 3.918 -0.869 1.00 61.30 C ATOM 746 O ASN A 610 15.118 4.757 -0.054 1.00 32.42 O ATOM 747 CB ASN A 610 16.111 5.802 -2.397 1.00 14.25 C ATOM 748 CG ASN A 610 16.856 6.163 -3.668 1.00 31.24 C ATOM 749 OD1 ASN A 610 17.026 5.332 -4.559 1.00 21.15 O ATOM 750 ND2 ASN A 610 17.306 7.410 -3.756 1.00 53.14 N ATOM 0 H ASN A 610 13.806 4.510 -2.968 1.00 11.34 H new ATOM 0 HA ASN A 610 16.651 3.739 -2.664 1.00 23.21 H new ATOM 0 HB2 ASN A 610 15.185 6.374 -2.347 1.00 14.25 H new ATOM 0 HB3 ASN A 610 16.711 6.089 -1.533 1.00 14.25 H new ATOM 0 HD21 ASN A 610 17.815 7.711 -4.587 1.00 53.14 H new ATOM 0 HD22 ASN A 610 17.142 8.066 -2.993 1.00 53.14 H new ATOM 756 N ALA A 611 15.687 2.640 -0.558 1.00 72.10 N ATOM 757 CA ALA A 611 15.449 2.139 0.789 1.00 44.24 C ATOM 758 C ALA A 611 16.492 1.098 1.180 1.00 5.54 C ATOM 759 O ALA A 611 16.217 -0.103 1.175 1.00 14.22 O ATOM 760 CB ALA A 611 14.049 1.551 0.895 1.00 71.50 C ATOM 0 H ALA A 611 16.003 1.932 -1.221 1.00 72.10 H new ATOM 0 HA ALA A 611 15.533 2.977 1.481 1.00 44.24 H new ATOM 0 HB1 ALA A 611 13.886 1.181 1.907 1.00 71.50 H new ATOM 0 HB2 ALA A 611 13.313 2.322 0.667 1.00 71.50 H new ATOM 0 HB3 ALA A 611 13.945 0.729 0.187 1.00 71.50 H new ATOM 766 N ASP A 612 17.689 1.563 1.518 1.00 33.04 N ATOM 767 CA ASP A 612 18.774 0.672 1.911 1.00 41.11 C ATOM 768 C ASP A 612 18.877 0.578 3.430 1.00 52.53 C ATOM 769 O ASP A 612 18.673 -0.489 4.011 1.00 44.00 O ATOM 770 CB ASP A 612 20.101 1.160 1.327 1.00 41.33 C ATOM 771 CG ASP A 612 21.128 0.049 1.215 1.00 71.13 C ATOM 772 OD1 ASP A 612 21.233 -0.758 2.162 1.00 61.12 O ATOM 773 OD2 ASP A 612 21.825 -0.012 0.182 1.00 41.01 O ATOM 0 H ASP A 612 17.933 2.553 1.528 1.00 33.04 H new ATOM 0 HA ASP A 612 18.556 -0.321 1.517 1.00 41.11 H new ATOM 0 HB2 ASP A 612 19.925 1.589 0.340 1.00 41.33 H new ATOM 0 HB3 ASP A 612 20.499 1.957 1.954 1.00 41.33 H new ATOM 777 N HIS A 613 19.192 1.700 4.067 1.00 62.02 N ATOM 778 CA HIS A 613 19.322 1.745 5.520 1.00 12.54 C ATOM 779 C HIS A 613 18.026 2.225 6.166 1.00 71.43 C ATOM 780 O HIS A 613 18.041 2.796 7.256 1.00 72.35 O ATOM 781 CB HIS A 613 20.478 2.662 5.922 1.00 53.24 C ATOM 782 CG HIS A 613 21.828 2.055 5.701 1.00 64.31 C ATOM 783 ND1 HIS A 613 22.089 0.713 5.880 1.00 41.52 N ATOM 784 CD2 HIS A 613 22.998 2.616 5.314 1.00 11.33 C ATOM 785 CE1 HIS A 613 23.361 0.474 5.613 1.00 53.21 C ATOM 786 NE2 HIS A 613 23.934 1.611 5.266 1.00 32.54 N ATOM 0 H HIS A 613 19.362 2.591 3.601 1.00 62.02 H new ATOM 0 HA HIS A 613 19.531 0.735 5.873 1.00 12.54 H new ATOM 0 HB2 HIS A 613 20.409 3.590 5.355 1.00 53.24 H new ATOM 0 HB3 HIS A 613 20.374 2.923 6.975 1.00 53.24 H new ATOM 0 HD2 HIS A 613 23.164 3.658 5.086 1.00 11.33 H new ATOM 0 HE1 HIS A 613 23.849 -0.488 5.669 1.00 53.21 H new ATOM 0 HE2 HIS A 613 24.913 1.725 5.004 1.00 32.54 H new ATOM 793 N ARG A 614 16.909 1.989 5.486 1.00 75.14 N ATOM 794 CA ARG A 614 15.605 2.400 5.995 1.00 33.25 C ATOM 795 C ARG A 614 14.912 1.245 6.711 1.00 10.24 C ATOM 796 O ARG A 614 15.200 0.076 6.451 1.00 61.03 O ATOM 797 CB ARG A 614 14.725 2.906 4.850 1.00 12.31 C ATOM 798 CG ARG A 614 14.842 4.402 4.607 1.00 54.45 C ATOM 799 CD ARG A 614 16.121 4.748 3.862 1.00 1.21 C ATOM 800 NE ARG A 614 17.238 4.982 4.773 1.00 73.54 N ATOM 801 CZ ARG A 614 17.370 6.083 5.506 1.00 13.14 C ATOM 802 NH1 ARG A 614 16.458 7.043 5.436 1.00 60.41 N ATOM 803 NH2 ARG A 614 18.415 6.224 6.312 1.00 53.32 N ATOM 0 H ARG A 614 16.880 1.516 4.583 1.00 75.14 H new ATOM 0 HA ARG A 614 15.760 3.207 6.711 1.00 33.25 H new ATOM 0 HB2 ARG A 614 14.993 2.376 3.936 1.00 12.31 H new ATOM 0 HB3 ARG A 614 13.685 2.662 5.067 1.00 12.31 H new ATOM 0 HG2 ARG A 614 13.981 4.747 4.034 1.00 54.45 H new ATOM 0 HG3 ARG A 614 14.822 4.929 5.561 1.00 54.45 H new ATOM 0 HD2 ARG A 614 16.374 3.937 3.179 1.00 1.21 H new ATOM 0 HD3 ARG A 614 15.957 5.637 3.253 1.00 1.21 H new ATOM 0 HE ARG A 614 17.956 4.262 4.851 1.00 73.54 H new ATOM 0 HH11 ARG A 614 15.653 6.938 4.819 1.00 60.41 H new ATOM 0 HH12 ARG A 614 16.562 7.887 5.999 1.00 60.41 H new ATOM 0 HH21 ARG A 614 19.118 5.487 6.369 1.00 53.32 H new ATOM 0 HH22 ARG A 614 18.515 7.069 6.874 1.00 53.32 H new ATOM 814 N THR A 615 13.997 1.580 7.615 1.00 53.02 N ATOM 815 CA THR A 615 13.264 0.571 8.370 1.00 25.52 C ATOM 816 C THR A 615 12.214 -0.111 7.501 1.00 42.32 C ATOM 817 O THR A 615 11.827 0.410 6.455 1.00 15.40 O ATOM 818 CB THR A 615 12.574 1.184 9.603 1.00 61.23 C ATOM 819 OG1 THR A 615 12.015 0.148 10.419 1.00 4.23 O ATOM 820 CG2 THR A 615 11.479 2.154 9.185 1.00 43.22 C ATOM 0 H THR A 615 13.746 2.542 7.842 1.00 53.02 H new ATOM 0 HA THR A 615 13.994 -0.168 8.701 1.00 25.52 H new ATOM 0 HB THR A 615 13.323 1.731 10.175 1.00 61.23 H new ATOM 0 HG1 THR A 615 12.133 0.377 11.365 1.00 4.23 H new ATOM 0 HG21 THR A 615 11.006 2.574 10.073 1.00 43.22 H new ATOM 0 HG22 THR A 615 11.913 2.958 8.590 1.00 43.22 H new ATOM 0 HG23 THR A 615 10.732 1.626 8.592 1.00 43.22 H new ATOM 828 N TYR A 616 11.756 -1.277 7.942 1.00 1.23 N ATOM 829 CA TYR A 616 10.751 -2.032 7.203 1.00 4.32 C ATOM 830 C TYR A 616 9.386 -1.926 7.876 1.00 11.24 C ATOM 831 O TYR A 616 8.362 -2.270 7.286 1.00 54.41 O ATOM 832 CB TYR A 616 11.165 -3.500 7.092 1.00 4.31 C ATOM 833 CG TYR A 616 11.575 -4.115 8.412 1.00 20.13 C ATOM 834 CD1 TYR A 616 10.624 -4.598 9.301 1.00 64.01 C ATOM 835 CD2 TYR A 616 12.915 -4.213 8.767 1.00 4.32 C ATOM 836 CE1 TYR A 616 10.995 -5.159 10.508 1.00 73.05 C ATOM 837 CE2 TYR A 616 13.295 -4.775 9.971 1.00 52.33 C ATOM 838 CZ TYR A 616 12.331 -5.246 10.838 1.00 51.01 C ATOM 839 OH TYR A 616 12.705 -5.806 12.039 1.00 32.12 O ATOM 0 H TYR A 616 12.065 -1.720 8.807 1.00 1.23 H new ATOM 0 HA TYR A 616 10.676 -1.606 6.202 1.00 4.32 H new ATOM 0 HB2 TYR A 616 10.336 -4.072 6.676 1.00 4.31 H new ATOM 0 HB3 TYR A 616 11.994 -3.583 6.389 1.00 4.31 H new ATOM 0 HD1 TYR A 616 9.577 -4.534 9.045 1.00 64.01 H new ATOM 0 HD2 TYR A 616 13.672 -3.844 8.091 1.00 4.32 H new ATOM 0 HE1 TYR A 616 10.242 -5.527 11.189 1.00 73.05 H new ATOM 0 HE2 TYR A 616 14.341 -4.845 10.232 1.00 52.33 H new ATOM 0 HH TYR A 616 13.682 -5.792 12.116 1.00 32.12 H new ATOM 848 N VAL A 617 9.381 -1.447 9.115 1.00 52.14 N ATOM 849 CA VAL A 617 8.143 -1.293 9.870 1.00 72.24 C ATOM 850 C VAL A 617 7.303 -0.147 9.319 1.00 74.44 C ATOM 851 O VAL A 617 6.072 -0.199 9.339 1.00 4.52 O ATOM 852 CB VAL A 617 8.424 -1.038 11.364 1.00 33.22 C ATOM 853 CG1 VAL A 617 9.224 0.243 11.545 1.00 61.41 C ATOM 854 CG2 VAL A 617 7.121 -0.979 12.148 1.00 32.33 C ATOM 0 H VAL A 617 10.220 -1.159 9.618 1.00 52.14 H new ATOM 0 HA VAL A 617 7.591 -2.227 9.767 1.00 72.24 H new ATOM 0 HB VAL A 617 9.017 -1.866 11.752 1.00 33.22 H new ATOM 0 HG11 VAL A 617 9.413 0.407 12.606 1.00 61.41 H new ATOM 0 HG12 VAL A 617 10.173 0.157 11.016 1.00 61.41 H new ATOM 0 HG13 VAL A 617 8.660 1.084 11.143 1.00 61.41 H new ATOM 0 HG21 VAL A 617 7.338 -0.798 13.201 1.00 32.33 H new ATOM 0 HG22 VAL A 617 6.500 -0.171 11.761 1.00 32.33 H new ATOM 0 HG23 VAL A 617 6.591 -1.926 12.044 1.00 32.33 H new ATOM 864 N ASP A 618 7.974 0.889 8.828 1.00 24.11 N ATOM 865 CA ASP A 618 7.289 2.048 8.269 1.00 34.32 C ATOM 866 C ASP A 618 6.257 1.622 7.230 1.00 70.01 C ATOM 867 O ASP A 618 5.098 2.034 7.287 1.00 54.45 O ATOM 868 CB ASP A 618 8.299 3.009 7.638 1.00 51.44 C ATOM 869 CG ASP A 618 8.609 4.192 8.533 1.00 24.43 C ATOM 870 OD1 ASP A 618 8.689 4.000 9.764 1.00 41.30 O ATOM 871 OD2 ASP A 618 8.773 5.311 8.002 1.00 21.42 O ATOM 0 H ASP A 618 8.992 0.950 8.806 1.00 24.11 H new ATOM 0 HA ASP A 618 6.771 2.558 9.081 1.00 34.32 H new ATOM 0 HB2 ASP A 618 9.221 2.471 7.420 1.00 51.44 H new ATOM 0 HB3 ASP A 618 7.908 3.369 6.687 1.00 51.44 H new ATOM 875 N LEU A 619 6.685 0.796 6.283 1.00 1.04 N ATOM 876 CA LEU A 619 5.798 0.314 5.229 1.00 51.01 C ATOM 877 C LEU A 619 4.629 -0.468 5.819 1.00 52.20 C ATOM 878 O LEU A 619 3.556 -0.549 5.219 1.00 53.23 O ATOM 879 CB LEU A 619 6.572 -0.566 4.247 1.00 11.40 C ATOM 880 CG LEU A 619 6.821 -2.009 4.690 1.00 62.41 C ATOM 881 CD1 LEU A 619 5.846 -2.954 4.008 1.00 33.35 C ATOM 882 CD2 LEU A 619 8.258 -2.416 4.395 1.00 51.52 C ATOM 0 H LEU A 619 7.641 0.445 6.222 1.00 1.04 H new ATOM 0 HA LEU A 619 5.402 1.179 4.697 1.00 51.01 H new ATOM 0 HB2 LEU A 619 6.029 -0.586 3.302 1.00 11.40 H new ATOM 0 HB3 LEU A 619 7.536 -0.096 4.051 1.00 11.40 H new ATOM 0 HG LEU A 619 6.660 -2.071 5.766 1.00 62.41 H new ATOM 0 HD11 LEU A 619 6.039 -3.975 4.336 1.00 33.35 H new ATOM 0 HD12 LEU A 619 4.825 -2.676 4.271 1.00 33.35 H new ATOM 0 HD13 LEU A 619 5.973 -2.890 2.927 1.00 33.35 H new ATOM 0 HD21 LEU A 619 8.418 -3.445 4.716 1.00 51.52 H new ATOM 0 HD22 LEU A 619 8.446 -2.337 3.324 1.00 51.52 H new ATOM 0 HD23 LEU A 619 8.940 -1.758 4.933 1.00 51.52 H new ATOM 893 N LYS A 620 4.842 -1.043 6.998 1.00 33.55 N ATOM 894 CA LYS A 620 3.805 -1.816 7.672 1.00 11.14 C ATOM 895 C LYS A 620 2.699 -0.905 8.194 1.00 64.31 C ATOM 896 O LYS A 620 1.528 -1.282 8.211 1.00 51.31 O ATOM 897 CB LYS A 620 4.408 -2.618 8.826 1.00 42.22 C ATOM 898 CG LYS A 620 3.652 -3.897 9.138 1.00 44.35 C ATOM 899 CD LYS A 620 3.782 -4.280 10.604 1.00 33.44 C ATOM 900 CE LYS A 620 5.137 -4.903 10.899 1.00 50.32 C ATOM 901 NZ LYS A 620 5.065 -5.882 12.018 1.00 11.50 N ATOM 0 H LYS A 620 5.724 -0.988 7.507 1.00 33.55 H new ATOM 0 HA LYS A 620 3.371 -2.505 6.947 1.00 11.14 H new ATOM 0 HB2 LYS A 620 5.441 -2.867 8.584 1.00 42.22 H new ATOM 0 HB3 LYS A 620 4.431 -1.993 9.719 1.00 42.22 H new ATOM 0 HG2 LYS A 620 2.599 -3.769 8.887 1.00 44.35 H new ATOM 0 HG3 LYS A 620 4.032 -4.706 8.515 1.00 44.35 H new ATOM 0 HD2 LYS A 620 3.644 -3.395 11.226 1.00 33.44 H new ATOM 0 HD3 LYS A 620 2.992 -4.983 10.869 1.00 33.44 H new ATOM 0 HE2 LYS A 620 5.510 -5.401 10.004 1.00 50.32 H new ATOM 0 HE3 LYS A 620 5.851 -4.118 11.148 1.00 50.32 H new ATOM 0 HZ1 LYS A 620 5.881 -5.748 12.649 1.00 11.50 H new ATOM 0 HZ2 LYS A 620 4.185 -5.734 12.553 1.00 11.50 H new ATOM 0 HZ3 LYS A 620 5.079 -6.849 11.635 1.00 11.50 H new ATOM 911 N ASP A 621 3.079 0.296 8.617 1.00 43.14 N ATOM 912 CA ASP A 621 2.119 1.262 9.137 1.00 65.24 C ATOM 913 C ASP A 621 1.245 1.816 8.017 1.00 72.34 C ATOM 914 O ASP A 621 0.037 1.991 8.186 1.00 25.31 O ATOM 915 CB ASP A 621 2.847 2.405 9.847 1.00 14.30 C ATOM 916 CG ASP A 621 1.934 3.190 10.767 1.00 54.12 C ATOM 917 OD1 ASP A 621 1.467 2.615 11.773 1.00 10.02 O ATOM 918 OD2 ASP A 621 1.686 4.381 10.483 1.00 11.34 O ATOM 0 H ASP A 621 4.045 0.623 8.610 1.00 43.14 H new ATOM 0 HA ASP A 621 1.477 0.750 9.854 1.00 65.24 H new ATOM 0 HB2 ASP A 621 3.678 2.000 10.424 1.00 14.30 H new ATOM 0 HB3 ASP A 621 3.274 3.078 9.103 1.00 14.30 H new ATOM 922 N LYS A 622 1.861 2.092 6.874 1.00 25.35 N ATOM 923 CA LYS A 622 1.141 2.627 5.725 1.00 55.45 C ATOM 924 C LYS A 622 0.153 1.601 5.177 1.00 31.30 C ATOM 925 O LYS A 622 -0.917 1.959 4.685 1.00 41.23 O ATOM 926 CB LYS A 622 2.123 3.042 4.627 1.00 64.13 C ATOM 927 CG LYS A 622 3.281 3.885 5.135 1.00 12.11 C ATOM 928 CD LYS A 622 2.794 5.178 5.767 1.00 43.01 C ATOM 929 CE LYS A 622 3.922 5.909 6.479 1.00 41.12 C ATOM 930 NZ LYS A 622 3.592 6.183 7.905 1.00 22.35 N ATOM 0 H LYS A 622 2.859 1.954 6.718 1.00 25.35 H new ATOM 0 HA LYS A 622 0.584 3.504 6.054 1.00 55.45 H new ATOM 0 HB2 LYS A 622 2.519 2.147 4.148 1.00 64.13 H new ATOM 0 HB3 LYS A 622 1.585 3.602 3.862 1.00 64.13 H new ATOM 0 HG2 LYS A 622 3.854 3.315 5.866 1.00 12.11 H new ATOM 0 HG3 LYS A 622 3.955 4.114 4.310 1.00 12.11 H new ATOM 0 HD2 LYS A 622 2.369 5.823 4.998 1.00 43.01 H new ATOM 0 HD3 LYS A 622 1.996 4.960 6.476 1.00 43.01 H new ATOM 0 HE2 LYS A 622 4.833 5.312 6.425 1.00 41.12 H new ATOM 0 HE3 LYS A 622 4.126 6.849 5.966 1.00 41.12 H new ATOM 0 HZ1 LYS A 622 4.044 7.072 8.201 1.00 22.35 H new ATOM 0 HZ2 LYS A 622 2.561 6.266 8.013 1.00 22.35 H new ATOM 0 HZ3 LYS A 622 3.940 5.403 8.498 1.00 22.35 H new ATOM 940 N TRP A 623 0.520 0.328 5.265 1.00 30.40 N ATOM 941 CA TRP A 623 -0.335 -0.748 4.779 1.00 2.43 C ATOM 942 C TRP A 623 -1.576 -0.894 5.650 1.00 72.05 C ATOM 943 O TRP A 623 -2.701 -0.900 5.150 1.00 72.23 O ATOM 944 CB TRP A 623 0.439 -2.067 4.749 1.00 10.22 C ATOM 945 CG TRP A 623 -0.419 -3.267 5.016 1.00 73.42 C ATOM 946 CD1 TRP A 623 -1.512 -3.668 4.302 1.00 70.10 C ATOM 947 CD2 TRP A 623 -0.257 -4.217 6.075 1.00 12.44 C ATOM 948 NE1 TRP A 623 -2.039 -4.812 4.852 1.00 64.52 N ATOM 949 CE2 TRP A 623 -1.287 -5.169 5.940 1.00 73.23 C ATOM 950 CE3 TRP A 623 0.657 -4.358 7.122 1.00 11.04 C ATOM 951 CZ2 TRP A 623 -1.425 -6.244 6.814 1.00 42.05 C ATOM 952 CZ3 TRP A 623 0.519 -5.425 7.988 1.00 12.40 C ATOM 953 CH2 TRP A 623 -0.515 -6.357 7.830 1.00 55.52 C ATOM 0 H TRP A 623 1.403 0.016 5.668 1.00 30.40 H new ATOM 0 HA TRP A 623 -0.652 -0.497 3.767 1.00 2.43 H new ATOM 0 HB2 TRP A 623 0.914 -2.179 3.774 1.00 10.22 H new ATOM 0 HB3 TRP A 623 1.237 -2.028 5.490 1.00 10.22 H new ATOM 0 HD1 TRP A 623 -1.904 -3.161 3.433 1.00 70.10 H new ATOM 0 HE1 TRP A 623 -2.857 -5.314 4.506 1.00 64.52 H new ATOM 0 HE3 TRP A 623 1.458 -3.645 7.252 1.00 11.04 H new ATOM 0 HZ2 TRP A 623 -2.222 -6.963 6.694 1.00 42.05 H new ATOM 0 HZ3 TRP A 623 1.220 -5.543 8.801 1.00 12.40 H new ATOM 0 HH2 TRP A 623 -0.596 -7.181 8.524 1.00 55.52 H new ATOM 963 N LYS A 624 -1.367 -1.010 6.958 1.00 24.25 N ATOM 964 CA LYS A 624 -2.470 -1.153 7.900 1.00 3.21 C ATOM 965 C LYS A 624 -3.521 -0.072 7.675 1.00 52.33 C ATOM 966 O LYS A 624 -4.700 -0.370 7.476 1.00 71.11 O ATOM 967 CB LYS A 624 -1.951 -1.083 9.338 1.00 1.40 C ATOM 968 CG LYS A 624 -2.741 -1.941 10.313 1.00 31.32 C ATOM 969 CD LYS A 624 -3.874 -1.156 10.951 1.00 50.42 C ATOM 970 CE LYS A 624 -5.020 -2.069 11.363 1.00 61.24 C ATOM 971 NZ LYS A 624 -4.547 -3.216 12.186 1.00 10.21 N ATOM 0 H LYS A 624 -0.443 -1.008 7.389 1.00 24.25 H new ATOM 0 HA LYS A 624 -2.933 -2.126 7.734 1.00 3.21 H new ATOM 0 HB2 LYS A 624 -0.907 -1.397 9.354 1.00 1.40 H new ATOM 0 HB3 LYS A 624 -1.978 -0.047 9.675 1.00 1.40 H new ATOM 0 HG2 LYS A 624 -3.146 -2.808 9.791 1.00 31.32 H new ATOM 0 HG3 LYS A 624 -2.076 -2.318 11.089 1.00 31.32 H new ATOM 0 HD2 LYS A 624 -3.501 -0.621 11.824 1.00 50.42 H new ATOM 0 HD3 LYS A 624 -4.239 -0.406 10.249 1.00 50.42 H new ATOM 0 HE2 LYS A 624 -5.756 -1.496 11.927 1.00 61.24 H new ATOM 0 HE3 LYS A 624 -5.523 -2.444 10.472 1.00 61.24 H new ATOM 0 HZ1 LYS A 624 -5.208 -3.374 12.973 1.00 10.21 H new ATOM 0 HZ2 LYS A 624 -4.501 -4.071 11.596 1.00 10.21 H new ATOM 0 HZ3 LYS A 624 -3.602 -3.005 12.564 1.00 10.21 H new ATOM 981 N THR A 625 -3.089 1.184 7.707 1.00 31.04 N ATOM 982 CA THR A 625 -3.993 2.309 7.506 1.00 22.30 C ATOM 983 C THR A 625 -4.665 2.238 6.140 1.00 63.30 C ATOM 984 O THR A 625 -5.808 2.666 5.975 1.00 22.41 O ATOM 985 CB THR A 625 -3.253 3.654 7.632 1.00 71.13 C ATOM 986 OG1 THR A 625 -4.161 4.737 7.397 1.00 44.30 O ATOM 987 CG2 THR A 625 -2.098 3.731 6.646 1.00 60.24 C ATOM 0 H THR A 625 -2.117 1.448 7.870 1.00 31.04 H new ATOM 0 HA THR A 625 -4.753 2.246 8.285 1.00 22.30 H new ATOM 0 HB THR A 625 -2.852 3.729 8.643 1.00 71.13 H new ATOM 0 HG1 THR A 625 -4.670 4.920 8.214 1.00 44.30 H new ATOM 0 HG21 THR A 625 -1.591 4.690 6.754 1.00 60.24 H new ATOM 0 HG22 THR A 625 -1.394 2.923 6.847 1.00 60.24 H new ATOM 0 HG23 THR A 625 -2.480 3.635 5.630 1.00 60.24 H new ATOM 995 N LEU A 626 -3.949 1.695 5.161 1.00 44.22 N ATOM 996 CA LEU A 626 -4.476 1.567 3.808 1.00 30.21 C ATOM 997 C LEU A 626 -5.729 0.696 3.791 1.00 24.05 C ATOM 998 O LEU A 626 -6.775 1.104 3.289 1.00 34.33 O ATOM 999 CB LEU A 626 -3.415 0.972 2.880 1.00 21.31 C ATOM 1000 CG LEU A 626 -3.068 1.798 1.641 1.00 13.31 C ATOM 1001 CD1 LEU A 626 -1.706 1.396 1.096 1.00 15.43 C ATOM 1002 CD2 LEU A 626 -4.141 1.635 0.574 1.00 10.12 C ATOM 0 H LEU A 626 -3.002 1.336 5.280 1.00 44.22 H new ATOM 0 HA LEU A 626 -4.743 2.562 3.453 1.00 30.21 H new ATOM 0 HB2 LEU A 626 -2.503 0.817 3.456 1.00 21.31 H new ATOM 0 HB3 LEU A 626 -3.756 -0.010 2.553 1.00 21.31 H new ATOM 0 HG LEU A 626 -3.026 2.849 1.928 1.00 13.31 H new ATOM 0 HD11 LEU A 626 -1.476 1.994 0.214 1.00 15.43 H new ATOM 0 HD12 LEU A 626 -0.945 1.565 1.858 1.00 15.43 H new ATOM 0 HD13 LEU A 626 -1.720 0.340 0.825 1.00 15.43 H new ATOM 0 HD21 LEU A 626 -3.878 2.230 -0.301 1.00 10.12 H new ATOM 0 HD22 LEU A 626 -4.215 0.585 0.290 1.00 10.12 H new ATOM 0 HD23 LEU A 626 -5.100 1.973 0.967 1.00 10.12 H new ATOM 1013 N VAL A 627 -5.614 -0.507 4.346 1.00 2.15 N ATOM 1014 CA VAL A 627 -6.736 -1.435 4.398 1.00 75.24 C ATOM 1015 C VAL A 627 -7.953 -0.789 5.052 1.00 4.40 C ATOM 1016 O VAL A 627 -9.050 -0.800 4.494 1.00 54.50 O ATOM 1017 CB VAL A 627 -6.371 -2.716 5.171 1.00 40.33 C ATOM 1018 CG1 VAL A 627 -7.603 -3.584 5.379 1.00 25.50 C ATOM 1019 CG2 VAL A 627 -5.282 -3.487 4.440 1.00 75.30 C ATOM 0 H VAL A 627 -4.754 -0.861 4.766 1.00 2.15 H new ATOM 0 HA VAL A 627 -6.977 -1.698 3.368 1.00 75.24 H new ATOM 0 HB VAL A 627 -5.987 -2.432 6.151 1.00 40.33 H new ATOM 0 HG11 VAL A 627 -7.325 -4.484 5.927 1.00 25.50 H new ATOM 0 HG12 VAL A 627 -8.348 -3.028 5.948 1.00 25.50 H new ATOM 0 HG13 VAL A 627 -8.020 -3.862 4.411 1.00 25.50 H new ATOM 0 HG21 VAL A 627 -5.036 -4.389 5.000 1.00 75.30 H new ATOM 0 HG22 VAL A 627 -5.635 -3.762 3.446 1.00 75.30 H new ATOM 0 HG23 VAL A 627 -4.393 -2.863 4.349 1.00 75.30 H new ATOM 1029 N HIS A 628 -7.751 -0.226 6.238 1.00 32.10 N ATOM 1030 CA HIS A 628 -8.831 0.427 6.969 1.00 43.34 C ATOM 1031 C HIS A 628 -9.538 1.455 6.090 1.00 44.33 C ATOM 1032 O HIS A 628 -10.749 1.650 6.196 1.00 75.40 O ATOM 1033 CB HIS A 628 -8.288 1.103 8.229 1.00 74.40 C ATOM 1034 CG HIS A 628 -8.436 0.272 9.466 1.00 15.53 C ATOM 1035 ND1 HIS A 628 -9.293 0.600 10.495 1.00 12.02 N ATOM 1036 CD2 HIS A 628 -7.832 -0.881 9.834 1.00 40.23 C ATOM 1037 CE1 HIS A 628 -9.208 -0.314 11.444 1.00 5.21 C ATOM 1038 NE2 HIS A 628 -8.328 -1.224 11.068 1.00 4.31 N ATOM 0 H HIS A 628 -6.849 -0.209 6.714 1.00 32.10 H new ATOM 0 HA HIS A 628 -9.553 -0.336 7.259 1.00 43.34 H new ATOM 0 HB2 HIS A 628 -7.233 1.335 8.081 1.00 74.40 H new ATOM 0 HB3 HIS A 628 -8.805 2.051 8.374 1.00 74.40 H new ATOM 0 HD1 HIS A 628 -9.898 1.421 10.519 1.00 12.02 H new ATOM 0 HD2 HIS A 628 -7.097 -1.430 9.264 1.00 40.23 H new ATOM 0 HE1 HIS A 628 -9.764 -0.317 12.370 1.00 5.21 H new ATOM 1045 N THR A 629 -8.773 2.110 5.222 1.00 41.13 N ATOM 1046 CA THR A 629 -9.326 3.119 4.327 1.00 41.53 C ATOM 1047 C THR A 629 -10.189 2.481 3.246 1.00 13.30 C ATOM 1048 O THR A 629 -11.137 3.093 2.753 1.00 43.31 O ATOM 1049 CB THR A 629 -8.211 3.945 3.657 1.00 55.11 C ATOM 1050 OG1 THR A 629 -7.581 4.792 4.624 1.00 23.43 O ATOM 1051 CG2 THR A 629 -8.773 4.792 2.525 1.00 10.54 C ATOM 0 H THR A 629 -7.769 1.960 5.120 1.00 41.13 H new ATOM 0 HA THR A 629 -9.942 3.780 4.937 1.00 41.53 H new ATOM 0 HB THR A 629 -7.475 3.255 3.244 1.00 55.11 H new ATOM 0 HG1 THR A 629 -6.947 4.266 5.156 1.00 23.43 H new ATOM 0 HG21 THR A 629 -7.968 5.367 2.066 1.00 10.54 H new ATOM 0 HG22 THR A 629 -9.228 4.143 1.776 1.00 10.54 H new ATOM 0 HG23 THR A 629 -9.526 5.474 2.920 1.00 10.54 H new ATOM 1059 N ALA A 630 -9.857 1.246 2.881 1.00 74.34 N ATOM 1060 CA ALA A 630 -10.605 0.524 1.859 1.00 75.13 C ATOM 1061 C ALA A 630 -12.090 0.474 2.199 1.00 51.24 C ATOM 1062 O ALA A 630 -12.939 0.791 1.366 1.00 41.30 O ATOM 1063 CB ALA A 630 -10.051 -0.883 1.696 1.00 12.01 C ATOM 0 H ALA A 630 -9.075 0.725 3.278 1.00 74.34 H new ATOM 0 HA ALA A 630 -10.493 1.058 0.916 1.00 75.13 H new ATOM 0 HB1 ALA A 630 -10.619 -1.411 0.930 1.00 12.01 H new ATOM 0 HB2 ALA A 630 -9.004 -0.829 1.399 1.00 12.01 H new ATOM 0 HB3 ALA A 630 -10.133 -1.418 2.642 1.00 12.01 H new ATOM 1069 N SER A 631 -12.398 0.072 3.429 1.00 12.13 N ATOM 1070 CA SER A 631 -13.782 -0.025 3.878 1.00 34.11 C ATOM 1071 C SER A 631 -13.861 -0.656 5.264 1.00 40.12 C ATOM 1072 O SER A 631 -14.347 -1.777 5.421 1.00 23.44 O ATOM 1073 CB SER A 631 -14.607 -0.845 2.883 1.00 62.43 C ATOM 1074 OG SER A 631 -15.849 -1.232 3.447 1.00 22.41 O ATOM 0 H SER A 631 -11.707 -0.192 4.132 1.00 12.13 H new ATOM 0 HA SER A 631 -14.191 0.984 3.934 1.00 34.11 H new ATOM 0 HB2 SER A 631 -14.781 -0.259 1.980 1.00 62.43 H new ATOM 0 HB3 SER A 631 -14.047 -1.732 2.585 1.00 62.43 H new ATOM 0 HG SER A 631 -15.694 -1.877 4.169 1.00 22.41 H new ATOM 1079 N ILE A 632 -13.381 0.072 6.267 1.00 4.23 N ATOM 1080 CA ILE A 632 -13.398 -0.417 7.640 1.00 60.43 C ATOM 1081 C ILE A 632 -14.027 0.606 8.580 1.00 34.23 C ATOM 1082 O ILE A 632 -15.161 0.438 9.026 1.00 75.44 O ATOM 1083 CB ILE A 632 -11.978 -0.747 8.137 1.00 51.03 C ATOM 1084 CG1 ILE A 632 -11.479 -2.045 7.499 1.00 14.34 C ATOM 1085 CG2 ILE A 632 -11.961 -0.856 9.655 1.00 23.21 C ATOM 1086 CD1 ILE A 632 -11.169 -1.912 6.025 1.00 13.34 C ATOM 0 H ILE A 632 -12.976 1.001 6.155 1.00 4.23 H new ATOM 0 HA ILE A 632 -13.997 -1.328 7.643 1.00 60.43 H new ATOM 0 HB ILE A 632 -11.309 0.061 7.842 1.00 51.03 H new ATOM 0 HG12 ILE A 632 -10.582 -2.376 8.022 1.00 14.34 H new ATOM 0 HG13 ILE A 632 -12.233 -2.821 7.635 1.00 14.34 H new ATOM 0 HG21 ILE A 632 -10.951 -1.090 9.992 1.00 23.21 H new ATOM 0 HG22 ILE A 632 -12.279 0.091 10.091 1.00 23.21 H new ATOM 0 HG23 ILE A 632 -12.641 -1.647 9.971 1.00 23.21 H new ATOM 0 HD11 ILE A 632 -10.821 -2.870 5.639 1.00 13.34 H new ATOM 0 HD12 ILE A 632 -12.069 -1.611 5.490 1.00 13.34 H new ATOM 0 HD13 ILE A 632 -10.393 -1.160 5.883 1.00 13.34 H new ATOM 1097 N ALA A 633 -13.284 1.668 8.873 1.00 60.43 N ATOM 1098 CA ALA A 633 -13.771 2.721 9.756 1.00 71.44 C ATOM 1099 C ALA A 633 -14.201 3.949 8.961 1.00 23.13 C ATOM 1100 O ALA A 633 -13.523 4.384 8.029 1.00 72.25 O ATOM 1101 CB ALA A 633 -12.702 3.095 10.772 1.00 20.43 C ATOM 0 H ALA A 633 -12.343 1.822 8.512 1.00 60.43 H new ATOM 0 HA ALA A 633 -14.644 2.341 10.287 1.00 71.44 H new ATOM 0 HB1 ALA A 633 -13.080 3.882 11.424 1.00 20.43 H new ATOM 0 HB2 ALA A 633 -12.446 2.220 11.370 1.00 20.43 H new ATOM 0 HB3 ALA A 633 -11.813 3.451 10.251 1.00 20.43 H new ATOM 1107 N PRO A 634 -15.354 4.523 9.333 1.00 41.54 N ATOM 1108 CA PRO A 634 -15.901 5.709 8.668 1.00 23.23 C ATOM 1109 C PRO A 634 -15.075 6.961 8.945 1.00 31.22 C ATOM 1110 O PRO A 634 -14.916 7.815 8.072 1.00 74.13 O ATOM 1111 CB PRO A 634 -17.299 5.845 9.276 1.00 20.14 C ATOM 1112 CG PRO A 634 -17.200 5.181 10.605 1.00 52.32 C ATOM 1113 CD PRO A 634 -16.215 4.058 10.434 1.00 64.44 C ATOM 0 HA PRO A 634 -15.902 5.603 7.583 1.00 23.23 H new ATOM 0 HB2 PRO A 634 -17.587 6.891 9.377 1.00 20.14 H new ATOM 0 HB3 PRO A 634 -18.052 5.366 8.649 1.00 20.14 H new ATOM 0 HG2 PRO A 634 -16.863 5.883 11.368 1.00 52.32 H new ATOM 0 HG3 PRO A 634 -18.171 4.803 10.926 1.00 52.32 H new ATOM 0 HD2 PRO A 634 -15.643 3.883 11.345 1.00 64.44 H new ATOM 0 HD3 PRO A 634 -16.713 3.121 10.186 1.00 64.44 H new ATOM 1118 N GLN A 635 -14.553 7.063 10.162 1.00 3.31 N ATOM 1119 CA GLN A 635 -13.743 8.211 10.553 1.00 72.11 C ATOM 1120 C GLN A 635 -12.337 8.108 9.973 1.00 15.15 C ATOM 1121 O GLN A 635 -11.580 9.079 9.980 1.00 51.30 O ATOM 1122 CB GLN A 635 -13.673 8.317 12.077 1.00 64.11 C ATOM 1123 CG GLN A 635 -12.994 7.127 12.738 1.00 75.24 C ATOM 1124 CD GLN A 635 -12.376 7.478 14.077 1.00 31.41 C ATOM 1125 OE1 GLN A 635 -12.744 8.474 14.702 1.00 30.41 O ATOM 1126 NE2 GLN A 635 -11.432 6.660 14.526 1.00 21.30 N ATOM 0 H GLN A 635 -14.676 6.365 10.895 1.00 3.31 H new ATOM 0 HA GLN A 635 -14.215 9.109 10.155 1.00 72.11 H new ATOM 0 HB2 GLN A 635 -13.136 9.227 12.346 1.00 64.11 H new ATOM 0 HB3 GLN A 635 -14.684 8.415 12.473 1.00 64.11 H new ATOM 0 HG2 GLN A 635 -13.723 6.328 12.877 1.00 75.24 H new ATOM 0 HG3 GLN A 635 -12.220 6.741 12.075 1.00 75.24 H new ATOM 0 HE21 GLN A 635 -11.158 5.846 13.975 1.00 21.30 H new ATOM 0 HE22 GLN A 635 -10.981 6.845 15.422 1.00 21.30 H new ATOM 1133 N GLN A 636 -11.994 6.927 9.470 1.00 33.03 N ATOM 1134 CA GLN A 636 -10.678 6.698 8.886 1.00 23.14 C ATOM 1135 C GLN A 636 -10.613 7.236 7.460 1.00 33.03 C ATOM 1136 O GLN A 636 -9.549 7.625 6.980 1.00 22.01 O ATOM 1137 CB GLN A 636 -10.344 5.205 8.896 1.00 21.34 C ATOM 1138 CG GLN A 636 -9.843 4.703 10.241 1.00 32.54 C ATOM 1139 CD GLN A 636 -8.392 5.062 10.494 1.00 71.04 C ATOM 1140 OE1 GLN A 636 -8.085 6.148 10.987 1.00 74.21 O ATOM 1141 NE2 GLN A 636 -7.489 4.149 10.158 1.00 43.51 N ATOM 0 H GLN A 636 -12.609 6.114 9.455 1.00 33.03 H new ATOM 0 HA GLN A 636 -9.944 7.231 9.490 1.00 23.14 H new ATOM 0 HB2 GLN A 636 -11.233 4.640 8.615 1.00 21.34 H new ATOM 0 HB3 GLN A 636 -9.587 5.005 8.138 1.00 21.34 H new ATOM 0 HG2 GLN A 636 -10.461 5.123 11.035 1.00 32.54 H new ATOM 0 HG3 GLN A 636 -9.959 3.620 10.286 1.00 32.54 H new ATOM 0 HE21 GLN A 636 -7.787 3.262 9.752 1.00 43.51 H new ATOM 0 HE22 GLN A 636 -6.497 4.334 10.306 1.00 43.51 H new ATOM 1148 N ARG A 637 -11.760 7.254 6.788 1.00 13.53 N ATOM 1149 CA ARG A 637 -11.833 7.742 5.416 1.00 51.42 C ATOM 1150 C ARG A 637 -11.985 9.260 5.386 1.00 51.22 C ATOM 1151 O ARG A 637 -13.007 9.800 5.812 1.00 24.32 O ATOM 1152 CB ARG A 637 -13.004 7.087 4.681 1.00 72.22 C ATOM 1153 CG ARG A 637 -13.149 7.542 3.238 1.00 32.41 C ATOM 1154 CD ARG A 637 -14.302 6.835 2.543 1.00 44.42 C ATOM 1155 NE ARG A 637 -14.405 7.208 1.135 1.00 64.22 N ATOM 1156 CZ ARG A 637 -14.877 8.376 0.717 1.00 72.42 C ATOM 1157 NH1 ARG A 637 -15.288 9.282 1.595 1.00 41.01 N ATOM 1158 NH2 ARG A 637 -14.940 8.643 -0.581 1.00 2.41 N ATOM 0 H ARG A 637 -12.650 6.937 7.171 1.00 13.53 H new ATOM 0 HA ARG A 637 -10.903 7.477 4.913 1.00 51.42 H new ATOM 0 HB2 ARG A 637 -12.875 6.005 4.701 1.00 72.22 H new ATOM 0 HB3 ARG A 637 -13.927 7.307 5.217 1.00 72.22 H new ATOM 0 HG2 ARG A 637 -13.312 8.619 3.210 1.00 32.41 H new ATOM 0 HG3 ARG A 637 -12.222 7.345 2.699 1.00 32.41 H new ATOM 0 HD2 ARG A 637 -14.167 5.756 2.623 1.00 44.42 H new ATOM 0 HD3 ARG A 637 -15.235 7.078 3.051 1.00 44.42 H new ATOM 0 HE ARG A 637 -14.097 6.534 0.434 1.00 64.22 H new ATOM 0 HH11 ARG A 637 -15.242 9.082 2.594 1.00 41.01 H new ATOM 0 HH12 ARG A 637 -15.650 10.179 1.271 1.00 41.01 H new ATOM 0 HH21 ARG A 637 -14.625 7.950 -1.260 1.00 2.41 H new ATOM 0 HH22 ARG A 637 -15.303 9.541 -0.900 1.00 2.41 H new ATOM 1169 N ARG A 638 -10.962 9.942 4.882 1.00 32.32 N ATOM 1170 CA ARG A 638 -10.981 11.397 4.799 1.00 71.33 C ATOM 1171 C ARG A 638 -9.745 11.917 4.070 1.00 63.04 C ATOM 1172 O ARG A 638 -8.724 11.234 3.995 1.00 64.11 O ATOM 1173 CB ARG A 638 -11.055 12.009 6.200 1.00 31.13 C ATOM 1174 CG ARG A 638 -11.335 13.503 6.198 1.00 15.21 C ATOM 1175 CD ARG A 638 -12.636 13.825 5.478 1.00 42.33 C ATOM 1176 NE ARG A 638 -13.137 15.153 5.822 1.00 1.42 N ATOM 1177 CZ ARG A 638 -12.635 16.278 5.326 1.00 63.20 C ATOM 1178 NH1 ARG A 638 -11.623 16.236 4.471 1.00 13.33 N ATOM 1179 NH2 ARG A 638 -13.145 17.449 5.686 1.00 22.21 N ATOM 0 H ARG A 638 -10.110 9.510 4.525 1.00 32.32 H new ATOM 0 HA ARG A 638 -11.866 11.691 4.234 1.00 71.33 H new ATOM 0 HB2 ARG A 638 -11.835 11.502 6.768 1.00 31.13 H new ATOM 0 HB3 ARG A 638 -10.114 11.825 6.718 1.00 31.13 H new ATOM 0 HG2 ARG A 638 -11.386 13.866 7.224 1.00 15.21 H new ATOM 0 HG3 ARG A 638 -10.511 14.028 5.715 1.00 15.21 H new ATOM 0 HD2 ARG A 638 -12.479 13.764 4.401 1.00 42.33 H new ATOM 0 HD3 ARG A 638 -13.387 13.077 5.733 1.00 42.33 H new ATOM 0 HE ARG A 638 -13.915 15.220 6.479 1.00 1.42 H new ATOM 0 HH11 ARG A 638 -11.228 15.338 4.192 1.00 13.33 H new ATOM 0 HH12 ARG A 638 -11.240 17.102 4.092 1.00 13.33 H new ATOM 0 HH21 ARG A 638 -13.923 17.486 6.344 1.00 22.21 H new ATOM 0 HH22 ARG A 638 -12.759 18.312 5.304 1.00 22.21 H new ATOM 1190 N GLY A 639 -9.845 13.129 3.535 1.00 31.42 N ATOM 1191 CA GLY A 639 -8.728 13.719 2.819 1.00 72.42 C ATOM 1192 C GLY A 639 -8.848 13.549 1.318 1.00 41.11 C ATOM 1193 O GLY A 639 -9.945 13.356 0.795 1.00 3.05 O ATOM 0 H GLY A 639 -10.679 13.714 3.584 1.00 31.42 H new ATOM 0 HA2 GLY A 639 -8.667 14.781 3.058 1.00 72.42 H new ATOM 0 HA3 GLY A 639 -7.799 13.262 3.160 1.00 72.42 H new ATOM 1197 N GLU A 640 -7.716 13.624 0.623 1.00 43.41 N ATOM 1198 CA GLU A 640 -7.700 13.479 -0.828 1.00 43.44 C ATOM 1199 C GLU A 640 -8.433 12.210 -1.255 1.00 33.22 C ATOM 1200 O GLU A 640 -8.639 11.287 -0.468 1.00 12.53 O ATOM 1201 CB GLU A 640 -6.260 13.447 -1.344 1.00 64.22 C ATOM 1202 CG GLU A 640 -5.708 14.820 -1.687 1.00 31.45 C ATOM 1203 CD GLU A 640 -4.283 14.763 -2.204 1.00 5.32 C ATOM 1204 OE1 GLU A 640 -4.088 14.338 -3.362 1.00 34.04 O ATOM 1205 OE2 GLU A 640 -3.363 15.143 -1.450 1.00 74.13 O ATOM 0 H GLU A 640 -6.800 13.784 1.041 1.00 43.41 H new ATOM 0 HA GLU A 640 -8.214 14.338 -1.259 1.00 43.44 H new ATOM 0 HB2 GLU A 640 -5.622 12.986 -0.590 1.00 64.22 H new ATOM 0 HB3 GLU A 640 -6.214 12.814 -2.230 1.00 64.22 H new ATOM 0 HG2 GLU A 640 -6.345 15.286 -2.439 1.00 31.45 H new ATOM 0 HG3 GLU A 640 -5.744 15.454 -0.801 1.00 31.45 H new ATOM 1210 N PRO A 641 -8.836 12.164 -2.535 1.00 42.53 N ATOM 1211 CA PRO A 641 -9.552 11.015 -3.098 1.00 63.25 C ATOM 1212 C PRO A 641 -8.660 9.786 -3.231 1.00 54.54 C ATOM 1213 O PRO A 641 -7.627 9.826 -3.899 1.00 50.41 O ATOM 1214 CB PRO A 641 -9.990 11.511 -4.478 1.00 62.32 C ATOM 1215 CG PRO A 641 -9.006 12.574 -4.828 1.00 62.31 C ATOM 1216 CD PRO A 641 -8.625 13.229 -3.528 1.00 21.35 C ATOM 0 HA PRO A 641 -10.379 10.698 -2.463 1.00 63.25 H new ATOM 0 HB2 PRO A 641 -9.979 10.704 -5.211 1.00 62.32 H new ATOM 0 HB3 PRO A 641 -11.006 11.905 -4.453 1.00 62.32 H new ATOM 0 HG2 PRO A 641 -8.132 12.150 -5.322 1.00 62.31 H new ATOM 0 HG3 PRO A 641 -9.442 13.298 -5.517 1.00 62.31 H new ATOM 0 HD2 PRO A 641 -7.590 13.570 -3.538 1.00 21.35 H new ATOM 0 HD3 PRO A 641 -9.245 14.101 -3.320 1.00 21.35 H new ATOM 1221 N VAL A 642 -9.067 8.693 -2.592 1.00 31.04 N ATOM 1222 CA VAL A 642 -8.306 7.451 -2.642 1.00 42.40 C ATOM 1223 C VAL A 642 -8.782 6.559 -3.783 1.00 54.34 C ATOM 1224 O VAL A 642 -9.979 6.362 -3.991 1.00 75.25 O ATOM 1225 CB VAL A 642 -8.414 6.672 -1.317 1.00 21.43 C ATOM 1226 CG1 VAL A 642 -9.872 6.461 -0.940 1.00 71.15 C ATOM 1227 CG2 VAL A 642 -7.683 5.343 -1.420 1.00 64.12 C ATOM 0 H VAL A 642 -9.919 8.643 -2.034 1.00 31.04 H new ATOM 0 HA VAL A 642 -7.265 7.726 -2.810 1.00 42.40 H new ATOM 0 HB VAL A 642 -7.942 7.260 -0.530 1.00 21.43 H new ATOM 0 HG11 VAL A 642 -9.929 5.909 -0.002 1.00 71.15 H new ATOM 0 HG12 VAL A 642 -10.361 7.428 -0.823 1.00 71.15 H new ATOM 0 HG13 VAL A 642 -10.372 5.894 -1.725 1.00 71.15 H new ATOM 0 HG21 VAL A 642 -7.770 4.806 -0.475 1.00 64.12 H new ATOM 0 HG22 VAL A 642 -8.124 4.746 -2.218 1.00 64.12 H new ATOM 0 HG23 VAL A 642 -6.631 5.523 -1.640 1.00 64.12 H new ATOM 1237 N PRO A 643 -7.825 6.004 -4.540 1.00 24.22 N ATOM 1238 CA PRO A 643 -8.122 5.122 -5.673 1.00 73.50 C ATOM 1239 C PRO A 643 -8.685 3.777 -5.228 1.00 71.42 C ATOM 1240 O PRO A 643 -8.109 3.107 -4.372 1.00 53.13 O ATOM 1241 CB PRO A 643 -6.760 4.937 -6.345 1.00 2.12 C ATOM 1242 CG PRO A 643 -5.767 5.164 -5.258 1.00 32.41 C ATOM 1243 CD PRO A 643 -6.377 6.195 -4.350 1.00 21.33 C ATOM 0 HA PRO A 643 -8.882 5.544 -6.330 1.00 73.50 H new ATOM 0 HB2 PRO A 643 -6.661 3.938 -6.770 1.00 2.12 H new ATOM 0 HB3 PRO A 643 -6.622 5.646 -7.162 1.00 2.12 H new ATOM 0 HG2 PRO A 643 -5.562 4.240 -4.717 1.00 32.41 H new ATOM 0 HG3 PRO A 643 -4.817 5.514 -5.663 1.00 32.41 H new ATOM 0 HD2 PRO A 643 -6.084 6.040 -3.312 1.00 21.33 H new ATOM 0 HD3 PRO A 643 -6.066 7.204 -4.621 1.00 21.33 H new ATOM 1248 N GLN A 644 -9.813 3.389 -5.815 1.00 71.53 N ATOM 1249 CA GLN A 644 -10.453 2.124 -5.478 1.00 54.24 C ATOM 1250 C GLN A 644 -9.598 0.944 -5.929 1.00 62.41 C ATOM 1251 O GLN A 644 -9.747 -0.170 -5.428 1.00 1.51 O ATOM 1252 CB GLN A 644 -11.838 2.041 -6.123 1.00 45.13 C ATOM 1253 CG GLN A 644 -12.688 0.897 -5.591 1.00 73.20 C ATOM 1254 CD GLN A 644 -14.165 1.088 -5.875 1.00 54.22 C ATOM 1255 OE1 GLN A 644 -14.658 0.713 -6.940 1.00 74.13 O ATOM 1256 NE2 GLN A 644 -14.881 1.674 -4.922 1.00 62.15 N ATOM 0 H GLN A 644 -10.302 3.933 -6.526 1.00 71.53 H new ATOM 0 HA GLN A 644 -10.561 2.078 -4.394 1.00 54.24 H new ATOM 0 HB2 GLN A 644 -12.364 2.981 -5.958 1.00 45.13 H new ATOM 0 HB3 GLN A 644 -11.722 1.926 -7.201 1.00 45.13 H new ATOM 0 HG2 GLN A 644 -12.353 -0.038 -6.039 1.00 73.20 H new ATOM 0 HG3 GLN A 644 -12.537 0.807 -4.515 1.00 73.20 H new ATOM 0 HE21 GLN A 644 -14.432 1.969 -4.055 1.00 62.15 H new ATOM 0 HE22 GLN A 644 -15.880 1.829 -5.057 1.00 62.15 H new ATOM 1263 N ASP A 645 -8.702 1.198 -6.876 1.00 10.11 N ATOM 1264 CA ASP A 645 -7.822 0.157 -7.393 1.00 11.15 C ATOM 1265 C ASP A 645 -6.866 -0.335 -6.311 1.00 2.10 C ATOM 1266 O ASP A 645 -6.633 -1.537 -6.174 1.00 22.30 O ATOM 1267 CB ASP A 645 -7.028 0.679 -8.593 1.00 71.13 C ATOM 1268 CG ASP A 645 -6.489 -0.439 -9.462 1.00 22.24 C ATOM 1269 OD1 ASP A 645 -6.197 -1.525 -8.919 1.00 3.51 O ATOM 1270 OD2 ASP A 645 -6.358 -0.228 -10.686 1.00 44.11 O ATOM 0 H ASP A 645 -8.566 2.115 -7.301 1.00 10.11 H new ATOM 0 HA ASP A 645 -8.442 -0.681 -7.713 1.00 11.15 H new ATOM 0 HB2 ASP A 645 -7.667 1.326 -9.194 1.00 71.13 H new ATOM 0 HB3 ASP A 645 -6.199 1.291 -8.238 1.00 71.13 H new ATOM 1274 N LEU A 646 -6.316 0.600 -5.546 1.00 22.23 N ATOM 1275 CA LEU A 646 -5.384 0.262 -4.475 1.00 72.23 C ATOM 1276 C LEU A 646 -6.123 -0.316 -3.273 1.00 24.41 C ATOM 1277 O LEU A 646 -5.657 -1.266 -2.643 1.00 41.13 O ATOM 1278 CB LEU A 646 -4.590 1.500 -4.053 1.00 2.25 C ATOM 1279 CG LEU A 646 -3.940 2.297 -5.185 1.00 74.22 C ATOM 1280 CD1 LEU A 646 -3.064 3.406 -4.622 1.00 71.41 C ATOM 1281 CD2 LEU A 646 -3.128 1.379 -6.087 1.00 60.30 C ATOM 0 H LEU A 646 -6.499 1.598 -5.647 1.00 22.23 H new ATOM 0 HA LEU A 646 -4.694 -0.493 -4.852 1.00 72.23 H new ATOM 0 HB2 LEU A 646 -5.256 2.165 -3.503 1.00 2.25 H new ATOM 0 HB3 LEU A 646 -3.809 1.188 -3.360 1.00 2.25 H new ATOM 0 HG LEU A 646 -4.730 2.753 -5.782 1.00 74.22 H new ATOM 0 HD11 LEU A 646 -2.610 3.962 -5.442 1.00 71.41 H new ATOM 0 HD12 LEU A 646 -3.673 4.080 -4.019 1.00 71.41 H new ATOM 0 HD13 LEU A 646 -2.281 2.971 -4.001 1.00 71.41 H new ATOM 0 HD21 LEU A 646 -2.673 1.964 -6.886 1.00 60.30 H new ATOM 0 HD22 LEU A 646 -2.346 0.893 -5.503 1.00 60.30 H new ATOM 0 HD23 LEU A 646 -3.782 0.621 -6.519 1.00 60.30 H new ATOM 1292 N LEU A 647 -7.278 0.263 -2.960 1.00 5.43 N ATOM 1293 CA LEU A 647 -8.083 -0.196 -1.834 1.00 63.00 C ATOM 1294 C LEU A 647 -8.659 -1.583 -2.105 1.00 64.11 C ATOM 1295 O LEU A 647 -8.738 -2.419 -1.205 1.00 12.05 O ATOM 1296 CB LEU A 647 -9.216 0.792 -1.556 1.00 72.54 C ATOM 1297 CG LEU A 647 -8.794 2.170 -1.042 1.00 20.02 C ATOM 1298 CD1 LEU A 647 -10.015 3.004 -0.686 1.00 74.32 C ATOM 1299 CD2 LEU A 647 -7.872 2.031 0.160 1.00 5.22 C ATOM 0 H LEU A 647 -7.677 1.051 -3.470 1.00 5.43 H new ATOM 0 HA LEU A 647 -7.437 -0.256 -0.958 1.00 63.00 H new ATOM 0 HB2 LEU A 647 -9.786 0.928 -2.475 1.00 72.54 H new ATOM 0 HB3 LEU A 647 -9.890 0.345 -0.826 1.00 72.54 H new ATOM 0 HG LEU A 647 -8.249 2.681 -1.836 1.00 20.02 H new ATOM 0 HD11 LEU A 647 -9.695 3.981 -0.322 1.00 74.32 H new ATOM 0 HD12 LEU A 647 -10.638 3.133 -1.571 1.00 74.32 H new ATOM 0 HD13 LEU A 647 -10.588 2.497 0.091 1.00 74.32 H new ATOM 0 HD21 LEU A 647 -7.582 3.021 0.512 1.00 5.22 H new ATOM 0 HD22 LEU A 647 -8.391 1.500 0.958 1.00 5.22 H new ATOM 0 HD23 LEU A 647 -6.981 1.473 -0.127 1.00 5.22 H new ATOM 1310 N ASP A 648 -9.055 -1.820 -3.350 1.00 75.22 N ATOM 1311 CA ASP A 648 -9.620 -3.106 -3.741 1.00 43.53 C ATOM 1312 C ASP A 648 -8.537 -4.178 -3.809 1.00 63.33 C ATOM 1313 O ASP A 648 -8.798 -5.355 -3.562 1.00 0.32 O ATOM 1314 CB ASP A 648 -10.324 -2.989 -5.095 1.00 63.40 C ATOM 1315 CG ASP A 648 -11.125 -4.229 -5.440 1.00 60.40 C ATOM 1316 OD1 ASP A 648 -11.565 -4.931 -4.505 1.00 24.22 O ATOM 1317 OD2 ASP A 648 -11.314 -4.496 -6.644 1.00 32.35 O ATOM 0 H ASP A 648 -8.995 -1.138 -4.106 1.00 75.22 H new ATOM 0 HA ASP A 648 -10.349 -3.398 -2.985 1.00 43.53 H new ATOM 0 HB2 ASP A 648 -10.987 -2.124 -5.083 1.00 63.40 H new ATOM 0 HB3 ASP A 648 -9.582 -2.811 -5.873 1.00 63.40 H new ATOM 1321 N ARG A 649 -7.319 -3.761 -4.144 1.00 54.11 N ATOM 1322 CA ARG A 649 -6.196 -4.685 -4.246 1.00 14.00 C ATOM 1323 C ARG A 649 -5.706 -5.100 -2.862 1.00 73.33 C ATOM 1324 O ARG A 649 -5.527 -6.286 -2.584 1.00 11.30 O ATOM 1325 CB ARG A 649 -5.052 -4.046 -5.033 1.00 73.31 C ATOM 1326 CG ARG A 649 -5.264 -4.061 -6.538 1.00 4.10 C ATOM 1327 CD ARG A 649 -4.984 -5.436 -7.126 1.00 25.31 C ATOM 1328 NE ARG A 649 -6.190 -6.256 -7.196 1.00 4.51 N ATOM 1329 CZ ARG A 649 -7.181 -6.034 -8.051 1.00 32.31 C ATOM 1330 NH1 ARG A 649 -7.112 -5.022 -8.903 1.00 30.54 N ATOM 1331 NH2 ARG A 649 -8.246 -6.826 -8.055 1.00 33.41 N ATOM 0 H ARG A 649 -7.086 -2.789 -4.349 1.00 54.11 H new ATOM 0 HA ARG A 649 -6.538 -5.575 -4.774 1.00 14.00 H new ATOM 0 HB2 ARG A 649 -4.927 -3.015 -4.703 1.00 73.31 H new ATOM 0 HB3 ARG A 649 -4.125 -4.570 -4.800 1.00 73.31 H new ATOM 0 HG2 ARG A 649 -6.289 -3.769 -6.765 1.00 4.10 H new ATOM 0 HG3 ARG A 649 -4.611 -3.324 -7.006 1.00 4.10 H new ATOM 0 HD2 ARG A 649 -4.563 -5.324 -8.125 1.00 25.31 H new ATOM 0 HD3 ARG A 649 -4.235 -5.944 -6.519 1.00 25.31 H new ATOM 0 HE ARG A 649 -6.276 -7.043 -6.553 1.00 4.51 H new ATOM 0 HH11 ARG A 649 -6.296 -4.410 -8.903 1.00 30.54 H new ATOM 0 HH12 ARG A 649 -7.875 -4.854 -9.559 1.00 30.54 H new ATOM 0 HH21 ARG A 649 -8.304 -7.606 -7.401 1.00 33.41 H new ATOM 0 HH22 ARG A 649 -9.007 -6.654 -8.712 1.00 33.41 H new ATOM 1342 N VAL A 650 -5.491 -4.114 -1.996 1.00 54.53 N ATOM 1343 CA VAL A 650 -5.022 -4.377 -0.640 1.00 55.33 C ATOM 1344 C VAL A 650 -6.011 -5.253 0.123 1.00 23.41 C ATOM 1345 O VAL A 650 -5.618 -6.062 0.964 1.00 23.15 O ATOM 1346 CB VAL A 650 -4.804 -3.068 0.141 1.00 21.24 C ATOM 1347 CG1 VAL A 650 -6.106 -2.596 0.769 1.00 51.44 C ATOM 1348 CG2 VAL A 650 -3.729 -3.253 1.201 1.00 3.12 C ATOM 0 H VAL A 650 -5.634 -3.127 -2.209 1.00 54.53 H new ATOM 0 HA VAL A 650 -4.070 -4.901 -0.729 1.00 55.33 H new ATOM 0 HB VAL A 650 -4.467 -2.302 -0.557 1.00 21.24 H new ATOM 0 HG11 VAL A 650 -5.931 -1.670 1.316 1.00 51.44 H new ATOM 0 HG12 VAL A 650 -6.845 -2.421 -0.013 1.00 51.44 H new ATOM 0 HG13 VAL A 650 -6.477 -3.358 1.454 1.00 51.44 H new ATOM 0 HG21 VAL A 650 -3.588 -2.318 1.743 1.00 3.12 H new ATOM 0 HG22 VAL A 650 -4.035 -4.034 1.897 1.00 3.12 H new ATOM 0 HG23 VAL A 650 -2.792 -3.540 0.723 1.00 3.12 H new ATOM 1358 N LEU A 651 -7.294 -5.085 -0.175 1.00 70.51 N ATOM 1359 CA LEU A 651 -8.340 -5.860 0.483 1.00 10.13 C ATOM 1360 C LEU A 651 -8.309 -7.315 0.023 1.00 71.35 C ATOM 1361 O LEU A 651 -8.438 -8.234 0.831 1.00 72.40 O ATOM 1362 CB LEU A 651 -9.713 -5.251 0.193 1.00 4.20 C ATOM 1363 CG LEU A 651 -10.154 -4.120 1.124 1.00 5.13 C ATOM 1364 CD1 LEU A 651 -11.506 -3.574 0.694 1.00 72.34 C ATOM 1365 CD2 LEU A 651 -10.207 -4.605 2.565 1.00 1.35 C ATOM 0 H LEU A 651 -7.635 -4.419 -0.868 1.00 70.51 H new ATOM 0 HA LEU A 651 -8.157 -5.833 1.557 1.00 10.13 H new ATOM 0 HB2 LEU A 651 -9.713 -4.874 -0.830 1.00 4.20 H new ATOM 0 HB3 LEU A 651 -10.458 -6.045 0.240 1.00 4.20 H new ATOM 0 HG LEU A 651 -9.422 -3.315 1.060 1.00 5.13 H new ATOM 0 HD11 LEU A 651 -11.805 -2.770 1.367 1.00 72.34 H new ATOM 0 HD12 LEU A 651 -11.436 -3.188 -0.323 1.00 72.34 H new ATOM 0 HD13 LEU A 651 -12.248 -4.371 0.729 1.00 72.34 H new ATOM 0 HD21 LEU A 651 -10.523 -3.787 3.213 1.00 1.35 H new ATOM 0 HD22 LEU A 651 -10.918 -5.427 2.646 1.00 1.35 H new ATOM 0 HD23 LEU A 651 -9.219 -4.949 2.870 1.00 1.35 H new ATOM 1376 N ALA A 652 -8.136 -7.515 -1.279 1.00 11.50 N ATOM 1377 CA ALA A 652 -8.084 -8.857 -1.845 1.00 1.32 C ATOM 1378 C ALA A 652 -6.913 -9.649 -1.274 1.00 14.23 C ATOM 1379 O ALA A 652 -7.047 -10.830 -0.955 1.00 14.04 O ATOM 1380 CB ALA A 652 -7.987 -8.787 -3.362 1.00 32.12 C ATOM 0 H ALA A 652 -8.029 -6.765 -1.962 1.00 11.50 H new ATOM 0 HA ALA A 652 -9.005 -9.374 -1.574 1.00 1.32 H new ATOM 0 HB1 ALA A 652 -7.949 -9.797 -3.771 1.00 32.12 H new ATOM 0 HB2 ALA A 652 -8.859 -8.267 -3.759 1.00 32.12 H new ATOM 0 HB3 ALA A 652 -7.083 -8.247 -3.644 1.00 32.12 H new ATOM 1386 N ALA A 653 -5.765 -8.991 -1.149 1.00 41.40 N ATOM 1387 CA ALA A 653 -4.571 -9.634 -0.615 1.00 42.35 C ATOM 1388 C ALA A 653 -4.660 -9.786 0.900 1.00 64.32 C ATOM 1389 O ALA A 653 -4.353 -10.846 1.447 1.00 12.24 O ATOM 1390 CB ALA A 653 -3.330 -8.841 -0.996 1.00 4.21 C ATOM 0 H ALA A 653 -5.637 -8.013 -1.410 1.00 41.40 H new ATOM 0 HA ALA A 653 -4.500 -10.631 -1.050 1.00 42.35 H new ATOM 0 HB1 ALA A 653 -2.446 -9.332 -0.591 1.00 4.21 H new ATOM 0 HB2 ALA A 653 -3.251 -8.789 -2.082 1.00 4.21 H new ATOM 0 HB3 ALA A 653 -3.403 -7.833 -0.589 1.00 4.21 H new ATOM 1396 N HIS A 654 -5.080 -8.720 1.573 1.00 54.13 N ATOM 1397 CA HIS A 654 -5.209 -8.735 3.026 1.00 42.32 C ATOM 1398 C HIS A 654 -6.095 -9.891 3.481 1.00 11.35 C ATOM 1399 O HIS A 654 -5.740 -10.635 4.395 1.00 43.44 O ATOM 1400 CB HIS A 654 -5.787 -7.409 3.522 1.00 44.45 C ATOM 1401 CG HIS A 654 -6.084 -7.398 4.990 1.00 31.25 C ATOM 1402 ND1 HIS A 654 -5.195 -6.929 5.934 1.00 50.12 N ATOM 1403 CD2 HIS A 654 -7.181 -7.799 5.675 1.00 22.22 C ATOM 1404 CE1 HIS A 654 -5.731 -7.044 7.136 1.00 55.51 C ATOM 1405 NE2 HIS A 654 -6.936 -7.569 7.006 1.00 72.34 N ATOM 0 H HIS A 654 -5.337 -7.835 1.136 1.00 54.13 H new ATOM 0 HA HIS A 654 -4.215 -8.872 3.453 1.00 42.32 H new ATOM 0 HB2 HIS A 654 -5.083 -6.608 3.296 1.00 44.45 H new ATOM 0 HB3 HIS A 654 -6.703 -7.193 2.972 1.00 44.45 H new ATOM 0 HD2 HIS A 654 -8.081 -8.221 5.253 1.00 22.22 H new ATOM 0 HE1 HIS A 654 -5.263 -6.758 8.066 1.00 55.51 H new ATOM 0 HE2 HIS A 654 -7.580 -7.771 7.771 1.00 72.34 H new ATOM 1412 N ALA A 655 -7.248 -10.036 2.836 1.00 43.44 N ATOM 1413 CA ALA A 655 -8.184 -11.102 3.174 1.00 3.13 C ATOM 1414 C ALA A 655 -7.605 -12.470 2.827 1.00 62.32 C ATOM 1415 O ALA A 655 -7.662 -13.401 3.631 1.00 53.10 O ATOM 1416 CB ALA A 655 -9.507 -10.890 2.455 1.00 73.34 C ATOM 0 H ALA A 655 -7.556 -9.429 2.077 1.00 43.44 H new ATOM 0 HA ALA A 655 -8.359 -11.072 4.249 1.00 3.13 H new ATOM 0 HB1 ALA A 655 -10.196 -11.693 2.717 1.00 73.34 H new ATOM 0 HB2 ALA A 655 -9.935 -9.933 2.754 1.00 73.34 H new ATOM 0 HB3 ALA A 655 -9.340 -10.892 1.378 1.00 73.34 H new ATOM 1422 N TYR A 656 -7.048 -12.584 1.626 1.00 41.35 N ATOM 1423 CA TYR A 656 -6.463 -13.841 1.172 1.00 70.44 C ATOM 1424 C TYR A 656 -5.383 -14.318 2.138 1.00 2.05 C ATOM 1425 O TYR A 656 -5.379 -15.474 2.559 1.00 44.43 O ATOM 1426 CB TYR A 656 -5.873 -13.674 -0.230 1.00 42.23 C ATOM 1427 CG TYR A 656 -5.130 -14.896 -0.722 1.00 25.10 C ATOM 1428 CD1 TYR A 656 -5.815 -15.994 -1.227 1.00 34.32 C ATOM 1429 CD2 TYR A 656 -3.742 -14.952 -0.683 1.00 3.20 C ATOM 1430 CE1 TYR A 656 -5.141 -17.112 -1.679 1.00 60.05 C ATOM 1431 CE2 TYR A 656 -3.059 -16.065 -1.132 1.00 11.32 C ATOM 1432 CZ TYR A 656 -3.763 -17.143 -1.628 1.00 21.33 C ATOM 1433 OH TYR A 656 -3.087 -18.254 -2.077 1.00 11.32 O ATOM 0 H TYR A 656 -6.989 -11.822 0.950 1.00 41.35 H new ATOM 0 HA TYR A 656 -7.253 -14.591 1.140 1.00 70.44 H new ATOM 0 HB2 TYR A 656 -6.677 -13.442 -0.928 1.00 42.23 H new ATOM 0 HB3 TYR A 656 -5.194 -12.821 -0.231 1.00 42.23 H new ATOM 0 HD1 TYR A 656 -6.894 -15.973 -1.267 1.00 34.32 H new ATOM 0 HD2 TYR A 656 -3.188 -14.110 -0.295 1.00 3.20 H new ATOM 0 HE1 TYR A 656 -5.690 -17.956 -2.070 1.00 60.05 H new ATOM 0 HE2 TYR A 656 -1.980 -16.092 -1.095 1.00 11.32 H new ATOM 0 HH TYR A 656 -2.123 -18.114 -1.973 1.00 11.32 H new ATOM 1442 N TRP A 657 -4.468 -13.419 2.483 1.00 72.32 N ATOM 1443 CA TRP A 657 -3.382 -13.747 3.400 1.00 50.21 C ATOM 1444 C TRP A 657 -3.906 -13.938 4.819 1.00 53.24 C ATOM 1445 O TRP A 657 -3.443 -14.814 5.549 1.00 12.12 O ATOM 1446 CB TRP A 657 -2.320 -12.646 3.380 1.00 53.00 C ATOM 1447 CG TRP A 657 -1.588 -12.552 2.075 1.00 45.14 C ATOM 1448 CD1 TRP A 657 -1.528 -11.468 1.245 1.00 43.44 C ATOM 1449 CD2 TRP A 657 -0.813 -13.581 1.450 1.00 42.22 C ATOM 1450 NE1 TRP A 657 -0.763 -11.762 0.142 1.00 40.43 N ATOM 1451 CE2 TRP A 657 -0.312 -13.052 0.245 1.00 54.25 C ATOM 1452 CE3 TRP A 657 -0.492 -14.897 1.793 1.00 12.21 C ATOM 1453 CZ2 TRP A 657 0.490 -13.795 -0.617 1.00 53.04 C ATOM 1454 CZ3 TRP A 657 0.303 -15.633 0.937 1.00 2.44 C ATOM 1455 CH2 TRP A 657 0.788 -15.081 -0.258 1.00 45.45 C ATOM 0 H TRP A 657 -4.456 -12.458 2.142 1.00 72.32 H new ATOM 0 HA TRP A 657 -2.932 -14.683 3.070 1.00 50.21 H new ATOM 0 HB2 TRP A 657 -2.795 -11.688 3.592 1.00 53.00 H new ATOM 0 HB3 TRP A 657 -1.602 -12.829 4.179 1.00 53.00 H new ATOM 0 HD1 TRP A 657 -2.011 -10.520 1.429 1.00 43.44 H new ATOM 0 HE1 TRP A 657 -0.563 -11.124 -0.628 1.00 40.43 H new ATOM 0 HE3 TRP A 657 -0.859 -15.331 2.711 1.00 12.21 H new ATOM 0 HZ2 TRP A 657 0.864 -13.371 -1.537 1.00 53.04 H new ATOM 0 HZ3 TRP A 657 0.556 -16.652 1.192 1.00 2.44 H new ATOM 0 HH2 TRP A 657 1.408 -15.682 -0.906 1.00 45.45 H new ATOM 1465 N SER A 658 -4.876 -13.114 5.204 1.00 23.54 N ATOM 1466 CA SER A 658 -5.460 -13.190 6.537 1.00 22.32 C ATOM 1467 C SER A 658 -5.951 -14.604 6.835 1.00 22.32 C ATOM 1468 O SER A 658 -5.899 -15.061 7.976 1.00 53.44 O ATOM 1469 CB SER A 658 -6.618 -12.199 6.668 1.00 34.12 C ATOM 1470 OG SER A 658 -6.153 -10.921 7.065 1.00 23.31 O ATOM 0 H SER A 658 -5.274 -12.386 4.611 1.00 23.54 H new ATOM 0 HA SER A 658 -4.686 -12.932 7.260 1.00 22.32 H new ATOM 0 HB2 SER A 658 -7.142 -12.119 5.715 1.00 34.12 H new ATOM 0 HB3 SER A 658 -7.338 -12.570 7.397 1.00 34.12 H new ATOM 0 HG SER A 658 -5.862 -10.419 6.275 1.00 23.31 H new ATOM 1475 N GLN A 659 -6.424 -15.289 5.799 1.00 41.13 N ATOM 1476 CA GLN A 659 -6.925 -16.651 5.950 1.00 21.52 C ATOM 1477 C GLN A 659 -5.856 -17.560 6.547 1.00 5.34 C ATOM 1478 O GLN A 659 -6.168 -18.591 7.143 1.00 61.35 O ATOM 1479 CB GLN A 659 -7.381 -17.201 4.598 1.00 72.44 C ATOM 1480 CG GLN A 659 -8.704 -16.622 4.122 1.00 12.22 C ATOM 1481 CD GLN A 659 -9.848 -16.924 5.069 1.00 31.11 C ATOM 1482 OE1 GLN A 659 -9.706 -17.715 6.002 1.00 25.41 O ATOM 1483 NE2 GLN A 659 -10.994 -16.294 4.833 1.00 43.00 N ATOM 0 H GLN A 659 -6.471 -14.925 4.848 1.00 41.13 H new ATOM 0 HA GLN A 659 -7.776 -16.626 6.630 1.00 21.52 H new ATOM 0 HB2 GLN A 659 -6.613 -16.993 3.853 1.00 72.44 H new ATOM 0 HB3 GLN A 659 -7.472 -18.285 4.668 1.00 72.44 H new ATOM 0 HG2 GLN A 659 -8.605 -15.542 4.011 1.00 12.22 H new ATOM 0 HG3 GLN A 659 -8.938 -17.023 3.136 1.00 12.22 H new ATOM 0 HE21 GLN A 659 -11.068 -15.646 4.048 1.00 43.00 H new ATOM 0 HE22 GLN A 659 -11.800 -16.458 5.436 1.00 43.00 H new ATOM 1490 N GLN A 660 -4.595 -17.171 6.383 1.00 1.43 N ATOM 1491 CA GLN A 660 -3.481 -17.954 6.905 1.00 12.51 C ATOM 1492 C GLN A 660 -3.072 -17.460 8.289 1.00 5.43 C ATOM 1493 O GLN A 660 -3.213 -18.177 9.279 1.00 64.04 O ATOM 1494 CB GLN A 660 -2.288 -17.882 5.951 1.00 22.51 C ATOM 1495 CG GLN A 660 -2.378 -18.858 4.789 1.00 34.03 C ATOM 1496 CD GLN A 660 -3.628 -18.658 3.955 1.00 3.34 C ATOM 1497 OE1 GLN A 660 -3.832 -17.597 3.365 1.00 74.15 O ATOM 1498 NE2 GLN A 660 -4.472 -19.683 3.900 1.00 33.44 N ATOM 0 H GLN A 660 -4.320 -16.320 5.893 1.00 1.43 H new ATOM 0 HA GLN A 660 -3.806 -18.991 6.990 1.00 12.51 H new ATOM 0 HB2 GLN A 660 -2.209 -16.868 5.558 1.00 22.51 H new ATOM 0 HB3 GLN A 660 -1.374 -18.080 6.510 1.00 22.51 H new ATOM 0 HG2 GLN A 660 -1.500 -18.743 4.154 1.00 34.03 H new ATOM 0 HG3 GLN A 660 -2.362 -19.878 5.174 1.00 34.03 H new ATOM 0 HE21 GLN A 660 -4.262 -20.544 4.405 1.00 33.44 H new ATOM 0 HE22 GLN A 660 -5.329 -19.609 3.353 1.00 33.44 H new ATOM 1505 N GLN A 661 -2.563 -16.234 8.348 1.00 13.42 N ATOM 1506 CA GLN A 661 -2.132 -15.646 9.610 1.00 61.31 C ATOM 1507 C GLN A 661 -1.690 -14.200 9.415 1.00 64.11 C ATOM 1508 O GLN A 661 -1.659 -13.696 8.293 1.00 14.14 O ATOM 1509 CB GLN A 661 -0.989 -16.464 10.214 1.00 44.11 C ATOM 1510 CG GLN A 661 -0.992 -16.485 11.734 1.00 1.44 C ATOM 1511 CD GLN A 661 -0.261 -17.686 12.303 1.00 32.53 C ATOM 1512 OE1 GLN A 661 0.617 -18.255 11.655 1.00 5.32 O ATOM 1513 NE2 GLN A 661 -0.620 -18.075 13.521 1.00 13.13 N ATOM 0 H GLN A 661 -2.439 -15.629 7.536 1.00 13.42 H new ATOM 0 HA GLN A 661 -2.980 -15.658 10.295 1.00 61.31 H new ATOM 0 HB2 GLN A 661 -1.052 -17.488 9.845 1.00 44.11 H new ATOM 0 HB3 GLN A 661 -0.039 -16.057 9.867 1.00 44.11 H new ATOM 0 HG2 GLN A 661 -0.528 -15.572 12.107 1.00 1.44 H new ATOM 0 HG3 GLN A 661 -2.022 -16.488 12.091 1.00 1.44 H new ATOM 0 HE21 GLN A 661 -1.353 -17.573 14.021 1.00 13.13 H new ATOM 0 HE22 GLN A 661 -0.162 -18.876 13.956 1.00 13.13 H new ATOM 1520 N GLY A 662 -1.348 -13.537 10.516 1.00 33.33 N ATOM 1521 CA GLY A 662 -0.913 -12.154 10.443 1.00 22.21 C ATOM 1522 C GLY A 662 0.066 -11.796 11.544 1.00 74.20 C ATOM 1523 O GLY A 662 0.586 -12.674 12.232 1.00 65.45 O ATOM 0 H GLY A 662 -1.364 -13.932 11.456 1.00 33.33 H new ATOM 0 HA2 GLY A 662 -0.448 -11.973 9.474 1.00 22.21 H new ATOM 0 HA3 GLY A 662 -1.782 -11.499 10.506 1.00 22.21 H new ATOM 1527 N LYS A 663 0.319 -10.502 11.710 1.00 63.15 N ATOM 1528 CA LYS A 663 1.242 -10.028 12.735 1.00 0.11 C ATOM 1529 C LYS A 663 0.898 -8.605 13.161 1.00 72.41 C ATOM 1530 O LYS A 663 -0.088 -8.031 12.699 1.00 64.00 O ATOM 1531 CB LYS A 663 2.682 -10.083 12.218 1.00 51.21 C ATOM 1532 CG LYS A 663 3.235 -11.493 12.109 1.00 23.04 C ATOM 1533 CD LYS A 663 4.742 -11.487 11.908 1.00 50.52 C ATOM 1534 CE LYS A 663 5.351 -12.846 12.220 1.00 64.21 C ATOM 1535 NZ LYS A 663 5.375 -13.120 13.684 1.00 13.21 N ATOM 0 H LYS A 663 -0.102 -9.763 11.148 1.00 63.15 H new ATOM 0 HA LYS A 663 1.148 -10.681 13.603 1.00 0.11 H new ATOM 0 HB2 LYS A 663 2.726 -9.608 11.238 1.00 51.21 H new ATOM 0 HB3 LYS A 663 3.321 -9.502 12.883 1.00 51.21 H new ATOM 0 HG2 LYS A 663 2.990 -12.052 13.012 1.00 23.04 H new ATOM 0 HG3 LYS A 663 2.758 -12.009 11.276 1.00 23.04 H new ATOM 0 HD2 LYS A 663 4.972 -11.212 10.879 1.00 50.52 H new ATOM 0 HD3 LYS A 663 5.193 -10.729 12.549 1.00 50.52 H new ATOM 0 HE2 LYS A 663 4.780 -13.625 11.714 1.00 64.21 H new ATOM 0 HE3 LYS A 663 6.366 -12.888 11.826 1.00 64.21 H new ATOM 0 HZ1 LYS A 663 6.013 -13.919 13.877 1.00 13.21 H new ATOM 0 HZ2 LYS A 663 5.713 -12.277 14.190 1.00 13.21 H new ATOM 0 HZ3 LYS A 663 4.416 -13.357 14.009 1.00 13.21 H new ATOM 1545 N GLN A 664 1.718 -8.042 14.044 1.00 13.13 N ATOM 1546 CA GLN A 664 1.499 -6.685 14.530 1.00 72.40 C ATOM 1547 C GLN A 664 2.773 -6.115 15.144 1.00 1.12 C ATOM 1548 O GLN A 664 3.667 -6.859 15.548 1.00 12.13 O ATOM 1549 CB GLN A 664 0.370 -6.667 15.562 1.00 35.13 C ATOM 1550 CG GLN A 664 -0.064 -5.267 15.965 1.00 75.43 C ATOM 1551 CD GLN A 664 0.659 -4.764 17.199 1.00 43.41 C ATOM 1552 OE1 GLN A 664 1.088 -5.551 18.045 1.00 75.04 O ATOM 1553 NE2 GLN A 664 0.799 -3.449 17.309 1.00 41.14 N ATOM 0 H GLN A 664 2.538 -8.504 14.436 1.00 13.13 H new ATOM 0 HA GLN A 664 1.216 -6.063 13.681 1.00 72.40 H new ATOM 0 HB2 GLN A 664 -0.489 -7.202 15.158 1.00 35.13 H new ATOM 0 HB3 GLN A 664 0.693 -7.208 16.451 1.00 35.13 H new ATOM 0 HG2 GLN A 664 0.119 -4.582 15.137 1.00 75.43 H new ATOM 0 HG3 GLN A 664 -1.138 -5.263 16.151 1.00 75.43 H new ATOM 0 HE21 GLN A 664 0.428 -2.834 16.584 1.00 41.14 H new ATOM 0 HE22 GLN A 664 1.278 -3.053 18.118 1.00 41.14 H new ATOM 1560 N HIS A 665 2.850 -4.789 15.210 1.00 40.33 N ATOM 1561 CA HIS A 665 4.016 -4.119 15.775 1.00 44.21 C ATOM 1562 C HIS A 665 3.776 -2.617 15.892 1.00 31.22 C ATOM 1563 O HIS A 665 2.828 -2.083 15.315 1.00 22.55 O ATOM 1564 CB HIS A 665 5.251 -4.385 14.914 1.00 33.31 C ATOM 1565 CG HIS A 665 6.540 -4.300 15.672 1.00 72.43 C ATOM 1566 ND1 HIS A 665 7.735 -3.943 15.085 1.00 64.02 N ATOM 1567 CD2 HIS A 665 6.816 -4.526 16.978 1.00 14.52 C ATOM 1568 CE1 HIS A 665 8.691 -3.955 15.997 1.00 21.13 C ATOM 1569 NE2 HIS A 665 8.159 -4.305 17.155 1.00 0.44 N ATOM 0 H HIS A 665 2.120 -4.158 14.880 1.00 40.33 H new ATOM 0 HA HIS A 665 4.186 -4.521 16.774 1.00 44.21 H new ATOM 0 HB2 HIS A 665 5.166 -5.376 14.468 1.00 33.31 H new ATOM 0 HB3 HIS A 665 5.273 -3.667 14.094 1.00 33.31 H new ATOM 0 HD2 HIS A 665 6.110 -4.825 17.739 1.00 14.52 H new ATOM 0 HE1 HIS A 665 9.731 -3.719 15.825 1.00 21.13 H new ATOM 0 HE2 HIS A 665 8.664 -4.396 18.036 1.00 0.44 H new ATOM 1576 N VAL A 666 4.639 -1.941 16.643 1.00 33.15 N ATOM 1577 CA VAL A 666 4.521 -0.499 16.834 1.00 5.42 C ATOM 1578 C VAL A 666 5.222 0.263 15.715 1.00 54.04 C ATOM 1579 O VAL A 666 5.855 -0.335 14.847 1.00 32.24 O ATOM 1580 CB VAL A 666 5.114 -0.063 18.187 1.00 14.31 C ATOM 1581 CG1 VAL A 666 4.293 -0.626 19.337 1.00 53.25 C ATOM 1582 CG2 VAL A 666 6.567 -0.499 18.296 1.00 61.33 C ATOM 0 H VAL A 666 5.428 -2.368 17.129 1.00 33.15 H new ATOM 0 HA VAL A 666 3.457 -0.263 16.818 1.00 5.42 H new ATOM 0 HB VAL A 666 5.079 1.025 18.246 1.00 14.31 H new ATOM 0 HG11 VAL A 666 4.727 -0.307 20.284 1.00 53.25 H new ATOM 0 HG12 VAL A 666 3.269 -0.260 19.266 1.00 53.25 H new ATOM 0 HG13 VAL A 666 4.294 -1.715 19.286 1.00 53.25 H new ATOM 0 HG21 VAL A 666 6.971 -0.183 19.258 1.00 61.33 H new ATOM 0 HG22 VAL A 666 6.628 -1.584 18.216 1.00 61.33 H new ATOM 0 HG23 VAL A 666 7.145 -0.043 17.492 1.00 61.33 H new ATOM 1592 N GLU A 667 5.102 1.587 15.744 1.00 55.21 N ATOM 1593 CA GLU A 667 5.723 2.431 14.731 1.00 24.34 C ATOM 1594 C GLU A 667 6.403 3.639 15.371 1.00 13.24 C ATOM 1595 O GLU A 667 6.070 4.053 16.481 1.00 1.14 O ATOM 1596 CB GLU A 667 4.680 2.898 13.714 1.00 34.32 C ATOM 1597 CG GLU A 667 3.365 3.323 14.344 1.00 54.31 C ATOM 1598 CD GLU A 667 2.729 4.501 13.629 1.00 40.43 C ATOM 1599 OE1 GLU A 667 3.477 5.386 13.166 1.00 61.02 O ATOM 1600 OE2 GLU A 667 1.484 4.536 13.534 1.00 2.21 O ATOM 0 H GLU A 667 4.581 2.097 16.457 1.00 55.21 H new ATOM 0 HA GLU A 667 6.481 1.839 14.217 1.00 24.34 H new ATOM 0 HB2 GLU A 667 5.088 3.734 13.145 1.00 34.32 H new ATOM 0 HB3 GLU A 667 4.490 2.092 13.005 1.00 34.32 H new ATOM 0 HG2 GLU A 667 2.673 2.481 14.335 1.00 54.31 H new ATOM 0 HG3 GLU A 667 3.535 3.585 15.388 1.00 54.31 H new ATOM 1605 N PRO A 668 7.378 4.217 14.654 1.00 42.44 N ATOM 1606 CA PRO A 668 8.125 5.385 15.131 1.00 43.25 C ATOM 1607 C PRO A 668 7.269 6.645 15.166 1.00 33.10 C ATOM 1608 O PRO A 668 6.053 6.589 14.975 1.00 4.10 O ATOM 1609 CB PRO A 668 9.250 5.530 14.104 1.00 21.52 C ATOM 1610 CG PRO A 668 8.716 4.898 12.866 1.00 30.32 C ATOM 1611 CD PRO A 668 7.827 3.776 13.323 1.00 42.42 C ATOM 0 HA PRO A 668 8.478 5.254 16.154 1.00 43.25 H new ATOM 0 HB2 PRO A 668 9.501 6.577 13.937 1.00 21.52 H new ATOM 0 HB3 PRO A 668 10.160 5.034 14.441 1.00 21.52 H new ATOM 0 HG2 PRO A 668 8.158 5.620 12.269 1.00 30.32 H new ATOM 0 HG3 PRO A 668 9.525 4.524 12.239 1.00 30.32 H new ATOM 0 HD2 PRO A 668 6.987 3.627 12.645 1.00 42.42 H new ATOM 0 HD3 PRO A 668 8.367 2.831 13.374 1.00 42.42 H new ATOM 1616 N LEU A 669 7.909 7.783 15.410 1.00 74.11 N ATOM 1617 CA LEU A 669 7.205 9.060 15.468 1.00 64.55 C ATOM 1618 C LEU A 669 7.624 9.967 14.316 1.00 3.45 C ATOM 1619 O LEU A 669 8.390 9.562 13.441 1.00 22.31 O ATOM 1620 CB LEU A 669 7.480 9.755 16.804 1.00 23.03 C ATOM 1621 CG LEU A 669 8.930 10.169 17.059 1.00 33.11 C ATOM 1622 CD1 LEU A 669 9.185 11.572 16.530 1.00 75.44 C ATOM 1623 CD2 LEU A 669 9.254 10.090 18.544 1.00 55.54 C ATOM 0 H LEU A 669 8.914 7.848 15.571 1.00 74.11 H new ATOM 0 HA LEU A 669 6.137 8.862 15.380 1.00 64.55 H new ATOM 0 HB2 LEU A 669 6.853 10.645 16.864 1.00 23.03 H new ATOM 0 HB3 LEU A 669 7.166 9.090 17.608 1.00 23.03 H new ATOM 0 HG LEU A 669 9.584 9.478 16.528 1.00 33.11 H new ATOM 0 HD11 LEU A 669 10.222 11.850 16.720 1.00 75.44 H new ATOM 0 HD12 LEU A 669 8.994 11.597 15.457 1.00 75.44 H new ATOM 0 HD13 LEU A 669 8.523 12.276 17.033 1.00 75.44 H new ATOM 0 HD21 LEU A 669 10.290 10.388 18.707 1.00 55.54 H new ATOM 0 HD22 LEU A 669 8.593 10.758 19.097 1.00 55.54 H new ATOM 0 HD23 LEU A 669 9.111 9.067 18.894 1.00 55.54 H new ATOM 1634 N LYS A 670 7.117 11.194 14.321 1.00 22.11 N ATOM 1635 CA LYS A 670 7.440 12.160 13.277 1.00 63.41 C ATOM 1636 C LYS A 670 6.930 13.550 13.646 1.00 53.31 C ATOM 1637 O LYS A 670 5.983 13.688 14.422 1.00 61.40 O ATOM 1638 CB LYS A 670 6.836 11.721 11.942 1.00 13.51 C ATOM 1639 CG LYS A 670 7.554 12.292 10.731 1.00 62.55 C ATOM 1640 CD LYS A 670 8.835 11.532 10.433 1.00 13.11 C ATOM 1641 CE LYS A 670 9.632 12.199 9.323 1.00 13.25 C ATOM 1642 NZ LYS A 670 10.612 13.184 9.857 1.00 24.24 N ATOM 0 H LYS A 670 6.480 11.544 15.037 1.00 22.11 H new ATOM 0 HA LYS A 670 8.525 12.204 13.180 1.00 63.41 H new ATOM 0 HB2 LYS A 670 6.855 10.633 11.885 1.00 13.51 H new ATOM 0 HB3 LYS A 670 5.789 12.024 11.909 1.00 13.51 H new ATOM 0 HG2 LYS A 670 6.895 12.251 9.864 1.00 62.55 H new ATOM 0 HG3 LYS A 670 7.785 13.343 10.906 1.00 62.55 H new ATOM 0 HD2 LYS A 670 9.444 11.474 11.335 1.00 13.11 H new ATOM 0 HD3 LYS A 670 8.594 10.509 10.145 1.00 13.11 H new ATOM 0 HE2 LYS A 670 10.159 11.438 8.747 1.00 13.25 H new ATOM 0 HE3 LYS A 670 8.949 12.701 8.638 1.00 13.25 H new ATOM 0 HZ1 LYS A 670 11.135 13.616 9.069 1.00 24.24 H new ATOM 0 HZ2 LYS A 670 10.107 13.924 10.385 1.00 24.24 H new ATOM 0 HZ3 LYS A 670 11.280 12.701 10.491 1.00 24.24 H new ATOM 1652 N ILE A 671 7.560 14.575 13.083 1.00 43.01 N ATOM 1653 CA ILE A 671 7.168 15.952 13.351 1.00 71.54 C ATOM 1654 C ILE A 671 7.285 16.812 12.097 1.00 52.40 C ATOM 1655 O ILE A 671 8.158 16.588 11.258 1.00 14.44 O ATOM 1656 CB ILE A 671 8.025 16.576 14.469 1.00 21.05 C ATOM 1657 CG1 ILE A 671 8.012 15.683 15.711 1.00 33.10 C ATOM 1658 CG2 ILE A 671 7.523 17.971 14.807 1.00 50.00 C ATOM 1659 CD1 ILE A 671 8.976 16.130 16.787 1.00 75.41 C ATOM 0 H ILE A 671 8.344 14.477 12.438 1.00 43.01 H new ATOM 0 HA ILE A 671 6.128 15.925 13.675 1.00 71.54 H new ATOM 0 HB ILE A 671 9.053 16.658 14.115 1.00 21.05 H new ATOM 0 HG12 ILE A 671 7.003 15.663 16.124 1.00 33.10 H new ATOM 0 HG13 ILE A 671 8.256 14.662 15.417 1.00 33.10 H new ATOM 0 HG21 ILE A 671 8.139 18.398 15.598 1.00 50.00 H new ATOM 0 HG22 ILE A 671 7.581 18.603 13.921 1.00 50.00 H new ATOM 0 HG23 ILE A 671 6.488 17.913 15.144 1.00 50.00 H new ATOM 0 HD11 ILE A 671 8.913 15.451 17.637 1.00 75.41 H new ATOM 0 HD12 ILE A 671 9.992 16.123 16.391 1.00 75.41 H new ATOM 0 HD13 ILE A 671 8.719 17.139 17.109 1.00 75.41 H new ATOM 1670 N LEU A 672 6.402 17.796 11.976 1.00 70.35 N ATOM 1671 CA LEU A 672 6.406 18.692 10.824 1.00 43.54 C ATOM 1672 C LEU A 672 5.745 20.023 11.167 1.00 25.35 C ATOM 1673 O LEU A 672 4.998 20.124 12.140 1.00 21.54 O ATOM 1674 CB LEU A 672 5.685 18.039 9.643 1.00 75.34 C ATOM 1675 CG LEU A 672 6.179 18.437 8.252 1.00 33.01 C ATOM 1676 CD1 LEU A 672 7.397 17.614 7.863 1.00 23.42 C ATOM 1677 CD2 LEU A 672 5.069 18.270 7.225 1.00 31.23 C ATOM 0 H LEU A 672 5.673 17.995 12.662 1.00 70.35 H new ATOM 0 HA LEU A 672 7.443 18.884 10.547 1.00 43.54 H new ATOM 0 HB2 LEU A 672 5.773 16.957 9.742 1.00 75.34 H new ATOM 0 HB3 LEU A 672 4.624 18.280 9.713 1.00 75.34 H new ATOM 0 HG LEU A 672 6.469 19.487 8.276 1.00 33.01 H new ATOM 0 HD11 LEU A 672 7.735 17.911 6.870 1.00 23.42 H new ATOM 0 HD12 LEU A 672 8.196 17.784 8.584 1.00 23.42 H new ATOM 0 HD13 LEU A 672 7.134 16.556 7.856 1.00 23.42 H new ATOM 0 HD21 LEU A 672 5.438 18.558 6.241 1.00 31.23 H new ATOM 0 HD22 LEU A 672 4.748 17.229 7.202 1.00 31.23 H new ATOM 0 HD23 LEU A 672 4.225 18.904 7.496 1.00 31.23 H new ATOM 1688 N ASP A 673 6.024 21.040 10.360 1.00 33.55 N ATOM 1689 CA ASP A 673 5.454 22.365 10.574 1.00 62.43 C ATOM 1690 C ASP A 673 5.606 23.232 9.328 1.00 61.14 C ATOM 1691 O ASP A 673 6.437 22.953 8.465 1.00 10.31 O ATOM 1692 CB ASP A 673 6.127 23.045 11.769 1.00 33.34 C ATOM 1693 CG ASP A 673 7.471 23.649 11.410 1.00 11.54 C ATOM 1694 OD1 ASP A 673 7.493 24.793 10.911 1.00 22.41 O ATOM 1695 OD2 ASP A 673 8.500 22.975 11.627 1.00 32.34 O ATOM 0 H ASP A 673 6.642 20.972 9.551 1.00 33.55 H new ATOM 0 HA ASP A 673 4.391 22.246 10.783 1.00 62.43 H new ATOM 0 HB2 ASP A 673 5.472 23.826 12.155 1.00 33.34 H new ATOM 0 HB3 ASP A 673 6.261 22.317 12.569 1.00 33.34 H new ATOM 1699 N ALA A 674 4.796 24.283 9.242 1.00 3.33 N ATOM 1700 CA ALA A 674 4.842 25.190 8.101 1.00 2.31 C ATOM 1701 C ALA A 674 3.886 26.362 8.295 1.00 4.24 C ATOM 1702 O ALA A 674 3.252 26.494 9.341 1.00 65.43 O ATOM 1703 CB ALA A 674 4.509 24.441 6.818 1.00 24.21 C ATOM 0 H ALA A 674 4.101 24.527 9.948 1.00 3.33 H new ATOM 0 HA ALA A 674 5.854 25.588 8.024 1.00 2.31 H new ATOM 0 HB1 ALA A 674 4.547 25.130 5.974 1.00 24.21 H new ATOM 0 HB2 ALA A 674 5.233 23.640 6.666 1.00 24.21 H new ATOM 0 HB3 ALA A 674 3.508 24.016 6.894 1.00 24.21 H new ATOM 1709 N LYS A 675 3.788 27.213 7.279 1.00 10.42 N ATOM 1710 CA LYS A 675 2.909 28.374 7.335 1.00 61.22 C ATOM 1711 C LYS A 675 2.475 28.797 5.935 1.00 64.31 C ATOM 1712 O LYS A 675 2.774 28.121 4.952 1.00 24.02 O ATOM 1713 CB LYS A 675 3.614 29.538 8.035 1.00 63.40 C ATOM 1714 CG LYS A 675 4.824 30.060 7.280 1.00 2.33 C ATOM 1715 CD LYS A 675 5.220 31.449 7.752 1.00 25.31 C ATOM 1716 CE LYS A 675 5.885 31.404 9.120 1.00 33.23 C ATOM 1717 NZ LYS A 675 7.347 31.143 9.017 1.00 3.41 N ATOM 0 H LYS A 675 4.307 27.120 6.406 1.00 10.42 H new ATOM 0 HA LYS A 675 2.021 28.099 7.904 1.00 61.22 H new ATOM 0 HB2 LYS A 675 2.903 30.353 8.172 1.00 63.40 H new ATOM 0 HB3 LYS A 675 3.927 29.217 9.029 1.00 63.40 H new ATOM 0 HG2 LYS A 675 5.662 29.376 7.416 1.00 2.33 H new ATOM 0 HG3 LYS A 675 4.604 30.086 6.213 1.00 2.33 H new ATOM 0 HD2 LYS A 675 5.901 31.900 7.030 1.00 25.31 H new ATOM 0 HD3 LYS A 675 4.336 32.085 7.797 1.00 25.31 H new ATOM 0 HE2 LYS A 675 5.720 32.350 9.635 1.00 33.23 H new ATOM 0 HE3 LYS A 675 5.419 30.626 9.725 1.00 33.23 H new ATOM 0 HZ1 LYS A 675 7.763 31.120 9.970 1.00 3.41 H new ATOM 0 HZ2 LYS A 675 7.504 30.228 8.548 1.00 3.41 H new ATOM 0 HZ3 LYS A 675 7.796 31.899 8.461 1.00 3.41 H new ATOM 1727 N ALA A 676 1.770 29.921 5.854 1.00 32.41 N ATOM 1728 CA ALA A 676 1.298 30.436 4.574 1.00 44.00 C ATOM 1729 C ALA A 676 1.255 31.960 4.577 1.00 64.35 C ATOM 1730 O ALA A 676 1.667 32.599 5.546 1.00 4.54 O ATOM 1731 CB ALA A 676 -0.076 29.868 4.251 1.00 52.24 C ATOM 0 H ALA A 676 1.513 30.492 6.659 1.00 32.41 H new ATOM 0 HA ALA A 676 2.000 30.120 3.803 1.00 44.00 H new ATOM 0 HB1 ALA A 676 -0.416 30.261 3.293 1.00 52.24 H new ATOM 0 HB2 ALA A 676 -0.017 28.781 4.197 1.00 52.24 H new ATOM 0 HB3 ALA A 676 -0.781 30.155 5.031 1.00 52.24 H new ATOM 1737 N GLN A 677 0.755 32.536 3.488 1.00 44.44 N ATOM 1738 CA GLN A 677 0.661 33.985 3.367 1.00 11.12 C ATOM 1739 C GLN A 677 -0.191 34.376 2.164 1.00 31.10 C ATOM 1740 O GLN A 677 -0.189 33.692 1.140 1.00 22.44 O ATOM 1741 CB GLN A 677 2.057 34.600 3.240 1.00 54.25 C ATOM 1742 CG GLN A 677 2.048 36.118 3.153 1.00 54.41 C ATOM 1743 CD GLN A 677 3.407 36.690 2.805 1.00 22.23 C ATOM 1744 OE1 GLN A 677 4.038 36.274 1.833 1.00 3.14 O ATOM 1745 NE2 GLN A 677 3.865 37.651 3.598 1.00 5.12 N ATOM 0 H GLN A 677 0.409 32.021 2.678 1.00 44.44 H new ATOM 0 HA GLN A 677 0.183 34.369 4.268 1.00 11.12 H new ATOM 0 HB2 GLN A 677 2.658 34.297 4.098 1.00 54.25 H new ATOM 0 HB3 GLN A 677 2.543 34.196 2.352 1.00 54.25 H new ATOM 0 HG2 GLN A 677 1.323 36.431 2.402 1.00 54.41 H new ATOM 0 HG3 GLN A 677 1.717 36.531 4.106 1.00 54.41 H new ATOM 0 HE21 GLN A 677 3.308 37.965 4.393 1.00 5.12 H new ATOM 0 HE22 GLN A 677 4.774 38.075 3.413 1.00 5.12 H new ATOM 1752 N LYS A 678 -0.919 35.480 2.294 1.00 41.12 N ATOM 1753 CA LYS A 678 -1.776 35.964 1.218 1.00 41.24 C ATOM 1754 C LYS A 678 -1.381 37.377 0.802 1.00 72.42 C ATOM 1755 O LYS A 678 -1.207 38.257 1.644 1.00 45.14 O ATOM 1756 CB LYS A 678 -3.242 35.940 1.656 1.00 10.24 C ATOM 1757 CG LYS A 678 -4.221 35.838 0.498 1.00 61.14 C ATOM 1758 CD LYS A 678 -4.591 37.211 -0.040 1.00 43.21 C ATOM 1759 CE LYS A 678 -5.762 37.811 0.722 1.00 23.01 C ATOM 1760 NZ LYS A 678 -7.059 37.208 0.311 1.00 71.44 N ATOM 0 H LYS A 678 -0.933 36.057 3.135 1.00 41.12 H new ATOM 0 HA LYS A 678 -1.649 35.303 0.360 1.00 41.24 H new ATOM 0 HB2 LYS A 678 -3.398 35.096 2.328 1.00 10.24 H new ATOM 0 HB3 LYS A 678 -3.458 36.845 2.225 1.00 10.24 H new ATOM 0 HG2 LYS A 678 -3.782 35.239 -0.300 1.00 61.14 H new ATOM 0 HG3 LYS A 678 -5.122 35.320 0.826 1.00 61.14 H new ATOM 0 HD2 LYS A 678 -3.730 37.875 0.032 1.00 43.21 H new ATOM 0 HD3 LYS A 678 -4.845 37.132 -1.097 1.00 43.21 H new ATOM 0 HE2 LYS A 678 -5.614 37.661 1.791 1.00 23.01 H new ATOM 0 HE3 LYS A 678 -5.792 38.887 0.553 1.00 23.01 H new ATOM 0 HZ1 LYS A 678 -7.838 37.690 0.803 1.00 71.44 H new ATOM 0 HZ2 LYS A 678 -7.181 37.314 -0.716 1.00 71.44 H new ATOM 0 HZ3 LYS A 678 -7.066 36.198 0.558 1.00 71.44 H new ATOM 1770 N VAL A 679 -1.244 37.589 -0.503 1.00 3.22 N ATOM 1771 CA VAL A 679 -0.874 38.896 -1.031 1.00 24.53 C ATOM 1772 C VAL A 679 -1.898 39.390 -2.046 1.00 41.21 C ATOM 1773 O VAL A 679 -2.507 38.599 -2.765 1.00 4.10 O ATOM 1774 CB VAL A 679 0.515 38.859 -1.696 1.00 23.11 C ATOM 1775 CG1 VAL A 679 0.933 40.254 -2.139 1.00 65.01 C ATOM 1776 CG2 VAL A 679 1.544 38.262 -0.749 1.00 45.45 C ATOM 0 H VAL A 679 -1.384 36.871 -1.214 1.00 3.22 H new ATOM 0 HA VAL A 679 -0.846 39.583 -0.185 1.00 24.53 H new ATOM 0 HB VAL A 679 0.457 38.224 -2.580 1.00 23.11 H new ATOM 0 HG11 VAL A 679 1.917 40.208 -2.606 1.00 65.01 H new ATOM 0 HG12 VAL A 679 0.208 40.641 -2.856 1.00 65.01 H new ATOM 0 HG13 VAL A 679 0.974 40.914 -1.272 1.00 65.01 H new ATOM 0 HG21 VAL A 679 2.519 38.244 -1.236 1.00 45.45 H new ATOM 0 HG22 VAL A 679 1.601 38.868 0.155 1.00 45.45 H new ATOM 0 HG23 VAL A 679 1.251 37.246 -0.487 1.00 45.45 H new ATOM 1786 N GLY A 680 -2.083 40.705 -2.099 1.00 33.05 N ATOM 1787 CA GLY A 680 -3.035 41.283 -3.031 1.00 43.43 C ATOM 1788 C GLY A 680 -2.489 42.510 -3.731 1.00 21.53 C ATOM 1789 O GLY A 680 -1.326 42.871 -3.549 1.00 21.31 O ATOM 0 H GLY A 680 -1.591 41.381 -1.514 1.00 33.05 H new ATOM 0 HA2 GLY A 680 -3.309 40.536 -3.776 1.00 43.43 H new ATOM 0 HA3 GLY A 680 -3.947 41.549 -2.496 1.00 43.43 H new ATOM 1793 N ALA A 681 -3.328 43.153 -4.537 1.00 23.03 N ATOM 1794 CA ALA A 681 -2.922 44.347 -5.268 1.00 11.45 C ATOM 1795 C ALA A 681 -2.768 45.539 -4.329 1.00 32.14 C ATOM 1796 O ALA A 681 -3.756 46.143 -3.911 1.00 64.34 O ATOM 1797 CB ALA A 681 -3.928 44.662 -6.364 1.00 75.41 C ATOM 0 H ALA A 681 -4.293 42.867 -4.700 1.00 23.03 H new ATOM 0 HA ALA A 681 -1.952 44.151 -5.726 1.00 11.45 H new ATOM 0 HB1 ALA A 681 -3.612 45.556 -6.902 1.00 75.41 H new ATOM 0 HB2 ALA A 681 -3.985 43.823 -7.057 1.00 75.41 H new ATOM 0 HB3 ALA A 681 -4.908 44.833 -5.920 1.00 75.41 H new TER 1803 ALA A 681