USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -75:sc= -1.27! USER MOD Set 1.2: A 605 GLN : amide:sc= -4.96! C(o=-6.2!,f=-4.7!) USER MOD Set 2.1: A 556 CYS SG : rot -5:sc= 1.25 USER MOD Set 2.2: A 569 TYR OH : rot 150:sc= 1.06 USER MOD Set 3.1: A 561 LYS NZ :NH3+ 144:sc= 0.753 (180deg=0) USER MOD Set 3.2: A 562 GLN : amide:sc= -0.612 K(o=0.14,f=-3) USER MOD Set 4.1: A 531 HIS : no HD1:sc= -0.934 X(o=-0.93,f=-0.61) USER MOD Set 4.2: A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A 530 GLN : amide:sc= -2.54 K(o=-2.5,f=-1.1) USER MOD Single : A 540 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0481) USER MOD Single : A 541 LYS NZ :NH3+ -119:sc= 0.977 (180deg=0.0032) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 THR OG1 : rot 108:sc= 0.805 USER MOD Single : A 552 TYR OH : rot 174:sc= 0.216 USER MOD Single : A 553 TYR OH : rot -128:sc= 2.13 USER MOD Single : A 558 LYS NZ :NH3+ -144:sc= 1.36 (180deg=-0.275) USER MOD Single : A 560 MET CE :methyl 161:sc= -0.709 (180deg=-1.73!) USER MOD Single : A 568 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.2) USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 576 HIS : no HD1:sc=-0.00113 X(o=-0.0011,f=-0.13) USER MOD Single : A 582 HIS : no HD1:sc= -0.0977 K(o=-0.098,f=-8.8!) USER MOD Single : A 584 SER OG : rot 160:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 165:sc= -0.0311 (180deg=-0.324) USER MOD Single : A 608 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.3) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.23) USER MOD Single : A 622 THR OG1 : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 50:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 16.038 -14.553 -6.259 1.00 0.00 N ATOM 2 CA ARG A 516 15.383 -15.019 -5.016 1.00 0.00 C ATOM 3 C ARG A 516 14.074 -14.283 -4.795 1.00 0.00 C ATOM 4 O ARG A 516 14.010 -13.061 -4.932 1.00 0.00 O ATOM 5 CB ARG A 516 16.300 -14.798 -3.807 1.00 0.00 C ATOM 6 CG ARG A 516 17.530 -15.692 -3.791 1.00 0.00 C ATOM 7 CD ARG A 516 17.152 -17.156 -3.632 1.00 0.00 C ATOM 8 NE ARG A 516 16.442 -17.406 -2.377 1.00 0.00 N ATOM 9 CZ ARG A 516 15.807 -18.544 -2.090 1.00 0.00 C ATOM 10 NH1 ARG A 516 15.782 -19.537 -2.972 1.00 0.00 N ATOM 11 NH2 ARG A 516 15.200 -18.687 -0.921 1.00 0.00 N ATOM 0 HA ARG A 516 15.182 -16.085 -5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 516 16.621 -13.756 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 516 15.728 -14.968 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 516 18.091 -15.558 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 516 18.187 -15.394 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 516 16.526 -17.462 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 516 18.053 -17.769 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 516 16.432 -16.664 -1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 516 16.249 -19.431 -3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.296 -20.405 -2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 516 15.218 -17.927 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 516 14.715 -19.557 -0.701 1.00 0.00 H new ATOM 27 N ARG A 517 13.031 -15.028 -4.465 1.00 0.00 N ATOM 28 CA ARG A 517 11.753 -14.434 -4.115 1.00 0.00 C ATOM 29 C ARG A 517 11.754 -14.084 -2.637 1.00 0.00 C ATOM 30 O ARG A 517 12.396 -14.763 -1.834 1.00 0.00 O ATOM 31 CB ARG A 517 10.598 -15.389 -4.409 1.00 0.00 C ATOM 32 CG ARG A 517 10.509 -15.831 -5.856 1.00 0.00 C ATOM 33 CD ARG A 517 9.277 -16.685 -6.074 1.00 0.00 C ATOM 34 NE ARG A 517 9.256 -17.851 -5.191 1.00 0.00 N ATOM 35 CZ ARG A 517 8.157 -18.544 -4.889 1.00 0.00 C ATOM 36 NH1 ARG A 517 6.995 -18.241 -5.458 1.00 0.00 N ATOM 37 NH2 ARG A 517 8.230 -19.553 -4.029 1.00 0.00 N ATOM 0 H ARG A 517 13.046 -16.047 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 517 11.614 -13.536 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 517 10.701 -16.271 -3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 517 9.662 -14.905 -4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 517 10.474 -14.958 -6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 517 11.402 -16.395 -6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 517 8.384 -16.084 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 517 9.244 -17.016 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 517 10.139 -18.154 -4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 517 6.940 -17.475 -6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 517 6.158 -18.774 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 517 9.124 -19.796 -3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 517 7.392 -20.086 -3.795 1.00 0.00 H new ATOM 51 N ARG A 518 11.044 -13.035 -2.277 1.00 0.00 N ATOM 52 CA ARG A 518 10.977 -12.613 -0.892 1.00 0.00 C ATOM 53 C ARG A 518 9.562 -12.222 -0.521 1.00 0.00 C ATOM 54 O ARG A 518 8.952 -11.356 -1.151 1.00 0.00 O ATOM 55 CB ARG A 518 11.936 -11.445 -0.634 1.00 0.00 C ATOM 56 CG ARG A 518 11.798 -10.829 0.753 1.00 0.00 C ATOM 57 CD ARG A 518 12.145 -11.820 1.853 1.00 0.00 C ATOM 58 NE ARG A 518 13.560 -12.185 1.846 1.00 0.00 N ATOM 59 CZ ARG A 518 14.033 -13.337 2.320 1.00 0.00 C ATOM 60 NH1 ARG A 518 13.202 -14.264 2.778 1.00 0.00 N ATOM 61 NH2 ARG A 518 15.338 -13.567 2.326 1.00 0.00 N ATOM 0 H ARG A 518 10.505 -12.459 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 518 11.280 -13.453 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 518 12.961 -11.793 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 518 11.762 -10.672 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 518 12.450 -9.959 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 518 10.777 -10.475 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 518 11.888 -11.389 2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 518 11.540 -12.719 1.733 1.00 0.00 H new ATOM 0 HE ARG A 518 14.225 -11.518 1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 518 12.196 -14.097 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 518 13.569 -15.144 3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 518 15.982 -12.862 1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 518 15.699 -14.449 2.689 1.00 0.00 H new ATOM 75 N ILE A 519 9.043 -12.877 0.496 1.00 0.00 N ATOM 76 CA ILE A 519 7.746 -12.537 1.034 1.00 0.00 C ATOM 77 C ILE A 519 7.940 -11.515 2.135 1.00 0.00 C ATOM 78 O ILE A 519 8.865 -11.635 2.940 1.00 0.00 O ATOM 79 CB ILE A 519 7.026 -13.769 1.608 1.00 0.00 C ATOM 80 CG1 ILE A 519 7.363 -15.011 0.774 1.00 0.00 C ATOM 81 CG2 ILE A 519 5.521 -13.529 1.646 1.00 0.00 C ATOM 82 CD1 ILE A 519 6.588 -16.252 1.169 1.00 0.00 C ATOM 0 H ILE A 519 9.505 -13.654 0.969 1.00 0.00 H new ATOM 0 HA ILE A 519 7.129 -12.137 0.229 1.00 0.00 H new ATOM 0 HB ILE A 519 7.369 -13.939 2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 519 7.169 -14.794 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 519 8.429 -15.218 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 519 5.023 -14.408 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 519 5.306 -12.665 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 519 5.157 -13.342 0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 519 6.885 -17.085 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 519 6.801 -16.498 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 519 5.520 -16.067 1.051 1.00 0.00 H new ATOM 94 N ALA A 520 7.095 -10.510 2.170 1.00 0.00 N ATOM 95 CA ALA A 520 7.261 -9.443 3.130 1.00 0.00 C ATOM 96 C ALA A 520 6.446 -9.705 4.384 1.00 0.00 C ATOM 97 O ALA A 520 5.365 -10.295 4.331 1.00 0.00 O ATOM 98 CB ALA A 520 6.881 -8.108 2.512 1.00 0.00 C ATOM 0 H ALA A 520 6.292 -10.409 1.550 1.00 0.00 H new ATOM 0 HA ALA A 520 8.312 -9.405 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 520 7.012 -7.316 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.519 -7.911 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.839 -8.138 2.193 1.00 0.00 H new ATOM 104 N THR A 521 6.985 -9.282 5.506 1.00 0.00 N ATOM 105 CA THR A 521 6.288 -9.330 6.771 1.00 0.00 C ATOM 106 C THR A 521 5.785 -7.947 7.132 1.00 0.00 C ATOM 107 O THR A 521 6.447 -6.957 6.833 1.00 0.00 O ATOM 108 CB THR A 521 7.220 -9.844 7.877 1.00 0.00 C ATOM 109 OG1 THR A 521 8.571 -9.488 7.565 1.00 0.00 O ATOM 110 CG2 THR A 521 7.104 -11.351 8.036 1.00 0.00 C ATOM 0 H THR A 521 7.926 -8.892 5.566 1.00 0.00 H new ATOM 0 HA THR A 521 5.443 -10.012 6.678 1.00 0.00 H new ATOM 0 HB THR A 521 6.926 -9.383 8.820 1.00 0.00 H new ATOM 0 HG1 THR A 521 9.167 -9.814 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 521 7.776 -11.686 8.826 1.00 0.00 H new ATOM 0 HG22 THR A 521 6.078 -11.611 8.297 1.00 0.00 H new ATOM 0 HG23 THR A 521 7.375 -11.838 7.099 1.00 0.00 H new ATOM 118 N PRO A 522 4.614 -7.852 7.779 1.00 0.00 N ATOM 119 CA PRO A 522 4.018 -6.565 8.142 1.00 0.00 C ATOM 120 C PRO A 522 5.000 -5.681 8.904 1.00 0.00 C ATOM 121 O PRO A 522 5.086 -4.479 8.667 1.00 0.00 O ATOM 122 CB PRO A 522 2.825 -6.942 9.034 1.00 0.00 C ATOM 123 CG PRO A 522 3.003 -8.391 9.354 1.00 0.00 C ATOM 124 CD PRO A 522 3.780 -8.979 8.214 1.00 0.00 C ATOM 0 HA PRO A 522 3.728 -5.989 7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 522 2.809 -6.339 9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 522 1.880 -6.768 8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 522 3.537 -8.519 10.296 1.00 0.00 H new ATOM 0 HG3 PRO A 522 2.038 -8.887 9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 522 4.382 -9.830 8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 522 3.126 -9.331 7.416 1.00 0.00 H new ATOM 132 N GLU A 523 5.723 -6.298 9.829 1.00 0.00 N ATOM 133 CA GLU A 523 6.736 -5.602 10.613 1.00 0.00 C ATOM 134 C GLU A 523 7.789 -4.948 9.702 1.00 0.00 C ATOM 135 O GLU A 523 8.197 -3.812 9.932 1.00 0.00 O ATOM 136 CB GLU A 523 7.396 -6.569 11.597 1.00 0.00 C ATOM 137 CG GLU A 523 7.901 -7.851 10.956 1.00 0.00 C ATOM 138 CD GLU A 523 8.543 -8.783 11.957 1.00 0.00 C ATOM 139 OE1 GLU A 523 9.710 -8.545 12.328 1.00 0.00 O ATOM 140 OE2 GLU A 523 7.881 -9.753 12.387 1.00 0.00 O ATOM 0 H GLU A 523 5.626 -7.288 10.056 1.00 0.00 H new ATOM 0 HA GLU A 523 6.247 -4.808 11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 523 8.231 -6.064 12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 523 6.679 -6.823 12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 523 7.070 -8.362 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 523 8.624 -7.605 10.178 1.00 0.00 H new ATOM 147 N GLU A 524 8.223 -5.666 8.670 1.00 0.00 N ATOM 148 CA GLU A 524 9.159 -5.123 7.696 1.00 0.00 C ATOM 149 C GLU A 524 8.484 -4.098 6.780 1.00 0.00 C ATOM 150 O GLU A 524 9.128 -3.185 6.281 1.00 0.00 O ATOM 151 CB GLU A 524 9.786 -6.250 6.874 1.00 0.00 C ATOM 152 CG GLU A 524 10.702 -7.157 7.686 1.00 0.00 C ATOM 153 CD GLU A 524 11.883 -6.425 8.298 1.00 0.00 C ATOM 154 OE1 GLU A 524 11.738 -5.863 9.404 1.00 0.00 O ATOM 155 OE2 GLU A 524 12.976 -6.427 7.685 1.00 0.00 O ATOM 0 H GLU A 524 7.939 -6.629 8.488 1.00 0.00 H new ATOM 0 HA GLU A 524 9.948 -4.607 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 524 8.992 -6.851 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 524 10.354 -5.816 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 524 10.124 -7.628 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 524 11.072 -7.957 7.044 1.00 0.00 H new ATOM 162 N VAL A 525 7.185 -4.259 6.557 1.00 0.00 N ATOM 163 CA VAL A 525 6.438 -3.342 5.698 1.00 0.00 C ATOM 164 C VAL A 525 6.187 -2.004 6.403 1.00 0.00 C ATOM 165 O VAL A 525 6.130 -0.953 5.764 1.00 0.00 O ATOM 166 CB VAL A 525 5.088 -3.950 5.254 1.00 0.00 C ATOM 167 CG1 VAL A 525 4.326 -2.988 4.352 1.00 0.00 C ATOM 168 CG2 VAL A 525 5.297 -5.280 4.545 1.00 0.00 C ATOM 0 H VAL A 525 6.627 -5.013 6.957 1.00 0.00 H new ATOM 0 HA VAL A 525 7.050 -3.170 4.813 1.00 0.00 H new ATOM 0 HB VAL A 525 4.494 -4.126 6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 525 3.380 -3.440 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 525 4.131 -2.061 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 525 4.921 -2.773 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 525 4.332 -5.687 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 525 5.919 -5.128 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 525 5.790 -5.979 5.221 1.00 0.00 H new ATOM 178 N ARG A 526 6.018 -2.043 7.719 1.00 0.00 N ATOM 179 CA ARG A 526 5.874 -0.816 8.498 1.00 0.00 C ATOM 180 C ARG A 526 7.226 -0.160 8.738 1.00 0.00 C ATOM 181 O ARG A 526 7.291 1.005 9.115 1.00 0.00 O ATOM 182 CB ARG A 526 5.185 -1.075 9.842 1.00 0.00 C ATOM 183 CG ARG A 526 5.897 -2.091 10.714 1.00 0.00 C ATOM 184 CD ARG A 526 5.297 -2.159 12.107 1.00 0.00 C ATOM 185 NE ARG A 526 5.439 -0.891 12.821 1.00 0.00 N ATOM 186 CZ ARG A 526 5.822 -0.784 14.094 1.00 0.00 C ATOM 187 NH1 ARG A 526 6.114 -1.868 14.809 1.00 0.00 N ATOM 188 NH2 ARG A 526 5.919 0.416 14.651 1.00 0.00 N ATOM 0 H ARG A 526 5.977 -2.902 8.267 1.00 0.00 H new ATOM 0 HA ARG A 526 5.248 -0.142 7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 526 5.108 -0.134 10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 526 4.168 -1.420 9.657 1.00 0.00 H new ATOM 0 HG2 ARG A 526 5.841 -3.074 10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 526 6.953 -1.832 10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 526 4.241 -2.420 12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 526 5.784 -2.952 12.674 1.00 0.00 H new ATOM 0 HE ARG A 526 5.231 -0.032 12.312 1.00 0.00 H new ATOM 0 HH11 ARG A 526 6.046 -2.793 14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 526 6.406 -1.774 15.782 1.00 0.00 H new ATOM 0 HH21 ARG A 526 5.701 1.250 14.106 1.00 0.00 H new ATOM 0 HH22 ARG A 526 6.211 0.504 15.624 1.00 0.00 H new ATOM 202 N LEU A 527 8.299 -0.916 8.534 1.00 0.00 N ATOM 203 CA LEU A 527 9.665 -0.418 8.706 1.00 0.00 C ATOM 204 C LEU A 527 9.889 0.915 7.966 1.00 0.00 C ATOM 205 O LEU A 527 10.323 1.890 8.579 1.00 0.00 O ATOM 206 CB LEU A 527 10.655 -1.486 8.213 1.00 0.00 C ATOM 207 CG LEU A 527 11.843 -1.804 9.125 1.00 0.00 C ATOM 208 CD1 LEU A 527 12.845 -0.666 9.120 1.00 0.00 C ATOM 209 CD2 LEU A 527 11.371 -2.108 10.540 1.00 0.00 C ATOM 0 H LEU A 527 8.250 -1.893 8.244 1.00 0.00 H new ATOM 0 HA LEU A 527 9.831 -0.222 9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 527 10.101 -2.409 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 527 11.045 -1.166 7.247 1.00 0.00 H new ATOM 0 HG LEU A 527 12.341 -2.693 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 527 13.680 -0.914 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 527 13.213 -0.509 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 527 12.363 0.245 9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 527 12.232 -2.331 11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 527 10.842 -1.243 10.941 1.00 0.00 H new ATOM 0 HD23 LEU A 527 10.701 -2.968 10.523 1.00 0.00 H new ATOM 221 N PRO A 528 9.598 0.993 6.647 1.00 0.00 N ATOM 222 CA PRO A 528 9.743 2.239 5.887 1.00 0.00 C ATOM 223 C PRO A 528 8.871 3.361 6.442 1.00 0.00 C ATOM 224 O PRO A 528 9.240 4.536 6.376 1.00 0.00 O ATOM 225 CB PRO A 528 9.309 1.862 4.462 1.00 0.00 C ATOM 226 CG PRO A 528 8.559 0.585 4.599 1.00 0.00 C ATOM 227 CD PRO A 528 9.143 -0.113 5.788 1.00 0.00 C ATOM 0 HA PRO A 528 10.762 2.623 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 528 8.683 2.639 4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 528 10.173 1.742 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 528 7.494 0.771 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 528 8.659 -0.024 3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 528 8.403 -0.734 6.292 1.00 0.00 H new ATOM 0 HD3 PRO A 528 9.968 -0.767 5.505 1.00 0.00 H new ATOM 235 N LEU A 529 7.737 2.990 7.029 1.00 0.00 N ATOM 236 CA LEU A 529 6.820 3.966 7.612 1.00 0.00 C ATOM 237 C LEU A 529 7.471 4.653 8.809 1.00 0.00 C ATOM 238 O LEU A 529 7.114 5.775 9.171 1.00 0.00 O ATOM 239 CB LEU A 529 5.514 3.296 8.060 1.00 0.00 C ATOM 240 CG LEU A 529 4.793 2.458 6.999 1.00 0.00 C ATOM 241 CD1 LEU A 529 3.482 1.912 7.548 1.00 0.00 C ATOM 242 CD2 LEU A 529 4.537 3.279 5.751 1.00 0.00 C ATOM 0 H LEU A 529 7.430 2.021 7.114 1.00 0.00 H new ATOM 0 HA LEU A 529 6.590 4.706 6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 529 5.732 2.656 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 529 4.832 4.071 8.408 1.00 0.00 H new ATOM 0 HG LEU A 529 5.436 1.619 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 529 2.985 1.320 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 529 3.684 1.285 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 529 2.837 2.740 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 529 4.024 2.665 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 529 3.916 4.139 6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 529 5.486 3.624 5.342 1.00 0.00 H new ATOM 254 N GLN A 530 8.434 3.968 9.411 1.00 0.00 N ATOM 255 CA GLN A 530 9.114 4.467 10.598 1.00 0.00 C ATOM 256 C GLN A 530 10.249 5.409 10.211 1.00 0.00 C ATOM 257 O GLN A 530 10.739 6.183 11.034 1.00 0.00 O ATOM 258 CB GLN A 530 9.675 3.296 11.409 1.00 0.00 C ATOM 259 CG GLN A 530 8.717 2.120 11.518 1.00 0.00 C ATOM 260 CD GLN A 530 9.295 0.951 12.280 1.00 0.00 C ATOM 261 OE1 GLN A 530 10.108 1.117 13.188 1.00 0.00 O ATOM 262 NE2 GLN A 530 8.879 -0.245 11.907 1.00 0.00 N ATOM 0 H GLN A 530 8.764 3.057 9.093 1.00 0.00 H new ATOM 0 HA GLN A 530 8.392 5.016 11.203 1.00 0.00 H new ATOM 0 HB2 GLN A 530 10.603 2.957 10.949 1.00 0.00 H new ATOM 0 HB3 GLN A 530 9.925 3.645 12.411 1.00 0.00 H new ATOM 0 HG2 GLN A 530 7.802 2.449 12.010 1.00 0.00 H new ATOM 0 HG3 GLN A 530 8.440 1.791 10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 530 8.203 -0.336 11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 530 9.233 -1.078 12.377 1.00 0.00 H new ATOM 271 N HIS A 531 10.666 5.342 8.952 1.00 0.00 N ATOM 272 CA HIS A 531 11.792 6.139 8.482 1.00 0.00 C ATOM 273 C HIS A 531 11.330 7.367 7.706 1.00 0.00 C ATOM 274 O HIS A 531 12.071 8.339 7.581 1.00 0.00 O ATOM 275 CB HIS A 531 12.738 5.287 7.630 1.00 0.00 C ATOM 276 CG HIS A 531 13.555 4.330 8.443 1.00 0.00 C ATOM 277 ND1 HIS A 531 14.744 4.712 9.017 1.00 0.00 N ATOM 278 CD2 HIS A 531 13.303 3.039 8.766 1.00 0.00 C ATOM 279 CE1 HIS A 531 15.183 3.653 9.677 1.00 0.00 C ATOM 280 NE2 HIS A 531 14.343 2.615 9.554 1.00 0.00 N ATOM 0 H HIS A 531 10.243 4.746 8.241 1.00 0.00 H new ATOM 0 HA HIS A 531 12.334 6.491 9.360 1.00 0.00 H new ATOM 0 HB2 HIS A 531 12.155 4.728 6.898 1.00 0.00 H new ATOM 0 HB3 HIS A 531 13.406 5.943 7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 531 12.447 2.455 8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 531 16.102 3.628 10.244 1.00 0.00 H new ATOM 0 HE2 HIS A 531 14.456 1.689 9.967 1.00 0.00 H new ATOM 288 N GLY A 532 10.113 7.330 7.185 1.00 0.00 N ATOM 289 CA GLY A 532 9.583 8.497 6.506 1.00 0.00 C ATOM 290 C GLY A 532 8.615 8.146 5.400 1.00 0.00 C ATOM 291 O GLY A 532 7.763 8.956 5.034 1.00 0.00 O ATOM 0 H GLY A 532 9.488 6.524 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 532 9.081 9.136 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 532 10.408 9.075 6.090 1.00 0.00 H new ATOM 295 N TRP A 533 8.756 6.946 4.852 1.00 0.00 N ATOM 296 CA TRP A 533 7.849 6.464 3.818 1.00 0.00 C ATOM 297 C TRP A 533 6.434 6.341 4.362 1.00 0.00 C ATOM 298 O TRP A 533 6.233 6.217 5.572 1.00 0.00 O ATOM 299 CB TRP A 533 8.296 5.096 3.315 1.00 0.00 C ATOM 300 CG TRP A 533 9.629 5.093 2.640 1.00 0.00 C ATOM 301 CD1 TRP A 533 10.856 5.156 3.236 1.00 0.00 C ATOM 302 CD2 TRP A 533 9.868 4.996 1.236 1.00 0.00 C ATOM 303 NE1 TRP A 533 11.841 5.123 2.283 1.00 0.00 N ATOM 304 CE2 TRP A 533 11.261 5.019 1.047 1.00 0.00 C ATOM 305 CE3 TRP A 533 9.036 4.895 0.118 1.00 0.00 C ATOM 306 CZ2 TRP A 533 11.840 4.943 -0.215 1.00 0.00 C ATOM 307 CZ3 TRP A 533 9.612 4.817 -1.133 1.00 0.00 C ATOM 308 CH2 TRP A 533 11.002 4.841 -1.291 1.00 0.00 C ATOM 0 H TRP A 533 9.492 6.287 5.107 1.00 0.00 H new ATOM 0 HA TRP A 533 7.865 7.183 2.999 1.00 0.00 H new ATOM 0 HB2 TRP A 533 8.327 4.405 4.157 1.00 0.00 H new ATOM 0 HB3 TRP A 533 7.549 4.716 2.618 1.00 0.00 H new ATOM 0 HD1 TRP A 533 11.025 5.222 4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 533 12.844 5.169 2.465 1.00 0.00 H new ATOM 0 HE3 TRP A 533 7.962 4.878 0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 12.912 4.964 -0.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 8.980 4.736 -2.005 1.00 0.00 H new ATOM 0 HH2 TRP A 533 11.422 4.778 -2.284 1.00 0.00 H new ATOM 319 N ARG A 534 5.457 6.374 3.470 1.00 0.00 N ATOM 320 CA ARG A 534 4.066 6.149 3.835 1.00 0.00 C ATOM 321 C ARG A 534 3.495 5.073 2.927 1.00 0.00 C ATOM 322 O ARG A 534 4.033 4.833 1.843 1.00 0.00 O ATOM 323 CB ARG A 534 3.238 7.436 3.701 1.00 0.00 C ATOM 324 CG ARG A 534 3.170 8.277 4.968 1.00 0.00 C ATOM 325 CD ARG A 534 4.537 8.785 5.390 1.00 0.00 C ATOM 326 NE ARG A 534 4.493 9.485 6.672 1.00 0.00 N ATOM 327 CZ ARG A 534 5.169 9.102 7.758 1.00 0.00 C ATOM 328 NH1 ARG A 534 5.892 7.986 7.743 1.00 0.00 N ATOM 329 NH2 ARG A 534 5.108 9.830 8.866 1.00 0.00 N ATOM 0 H ARG A 534 5.604 6.556 2.477 1.00 0.00 H new ATOM 0 HA ARG A 534 4.021 5.833 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 534 3.660 8.043 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 534 2.224 7.171 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 534 2.503 9.124 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 534 2.740 7.683 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 534 5.229 7.946 5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 534 4.926 9.456 4.624 1.00 0.00 H new ATOM 0 HE ARG A 534 3.909 10.319 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 534 5.933 7.416 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 534 6.406 7.700 8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 534 4.545 10.681 8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 534 5.624 9.539 9.697 1.00 0.00 H new ATOM 343 N ARG A 535 2.417 4.432 3.350 1.00 0.00 N ATOM 344 CA ARG A 535 1.800 3.418 2.516 1.00 0.00 C ATOM 345 C ARG A 535 0.293 3.412 2.711 1.00 0.00 C ATOM 346 O ARG A 535 -0.208 3.139 3.804 1.00 0.00 O ATOM 347 CB ARG A 535 2.372 2.049 2.878 1.00 0.00 C ATOM 348 CG ARG A 535 1.967 0.937 1.931 1.00 0.00 C ATOM 349 CD ARG A 535 1.357 -0.230 2.681 1.00 0.00 C ATOM 350 NE ARG A 535 1.523 -1.498 1.972 1.00 0.00 N ATOM 351 CZ ARG A 535 0.686 -2.528 2.080 1.00 0.00 C ATOM 352 NH1 ARG A 535 -0.397 -2.425 2.839 1.00 0.00 N ATOM 353 NH2 ARG A 535 0.925 -3.649 1.415 1.00 0.00 N ATOM 0 H ARG A 535 1.960 4.592 4.248 1.00 0.00 H new ATOM 0 HA ARG A 535 2.013 3.642 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 535 3.460 2.116 2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 535 2.050 1.788 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 535 1.251 1.319 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 535 2.839 0.597 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 535 1.817 -0.305 3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 535 0.295 -0.042 2.839 1.00 0.00 H new ATOM 0 HE ARG A 535 2.330 -1.600 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 535 -0.588 -1.557 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 535 -1.038 -3.214 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 535 1.750 -3.723 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 535 0.284 -4.438 1.498 1.00 0.00 H new ATOM 367 N GLU A 536 -0.415 3.681 1.637 1.00 0.00 N ATOM 368 CA GLU A 536 -1.861 3.767 1.675 1.00 0.00 C ATOM 369 C GLU A 536 -2.459 2.722 0.752 1.00 0.00 C ATOM 370 O GLU A 536 -1.919 2.459 -0.314 1.00 0.00 O ATOM 371 CB GLU A 536 -2.315 5.161 1.246 1.00 0.00 C ATOM 372 CG GLU A 536 -1.886 6.256 2.205 1.00 0.00 C ATOM 373 CD GLU A 536 -2.413 7.619 1.809 1.00 0.00 C ATOM 374 OE1 GLU A 536 -2.523 7.895 0.596 1.00 0.00 O ATOM 375 OE2 GLU A 536 -2.704 8.436 2.709 1.00 0.00 O ATOM 0 H GLU A 536 -0.009 3.846 0.716 1.00 0.00 H new ATOM 0 HA GLU A 536 -2.202 3.584 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 536 -1.913 5.377 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 536 -3.401 5.170 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -2.237 6.013 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -0.797 6.290 2.247 1.00 0.00 H new ATOM 382 N VAL A 537 -3.552 2.113 1.160 1.00 0.00 N ATOM 383 CA VAL A 537 -4.193 1.105 0.331 1.00 0.00 C ATOM 384 C VAL A 537 -5.583 1.563 -0.068 1.00 0.00 C ATOM 385 O VAL A 537 -6.426 1.852 0.780 1.00 0.00 O ATOM 386 CB VAL A 537 -4.280 -0.262 1.045 1.00 0.00 C ATOM 387 CG1 VAL A 537 -4.904 -1.313 0.135 1.00 0.00 C ATOM 388 CG2 VAL A 537 -2.905 -0.714 1.506 1.00 0.00 C ATOM 0 H VAL A 537 -4.014 2.293 2.051 1.00 0.00 H new ATOM 0 HA VAL A 537 -3.577 0.977 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 537 -4.919 -0.144 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 537 -4.954 -2.266 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 537 -5.910 -1.000 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 537 -4.295 -1.425 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 537 -2.988 -1.679 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 537 -2.245 -0.808 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 537 -2.494 0.020 2.199 1.00 0.00 H new ATOM 398 N ARG A 538 -5.806 1.632 -1.363 1.00 0.00 N ATOM 399 CA ARG A 538 -7.069 2.106 -1.899 1.00 0.00 C ATOM 400 C ARG A 538 -7.885 0.932 -2.417 1.00 0.00 C ATOM 401 O ARG A 538 -7.433 0.198 -3.294 1.00 0.00 O ATOM 402 CB ARG A 538 -6.815 3.113 -3.023 1.00 0.00 C ATOM 403 CG ARG A 538 -5.881 4.240 -2.618 1.00 0.00 C ATOM 404 CD ARG A 538 -5.578 5.171 -3.777 1.00 0.00 C ATOM 405 NE ARG A 538 -4.535 6.134 -3.432 1.00 0.00 N ATOM 406 CZ ARG A 538 -4.141 7.128 -4.224 1.00 0.00 C ATOM 407 NH1 ARG A 538 -4.732 7.325 -5.396 1.00 0.00 N ATOM 408 NH2 ARG A 538 -3.154 7.929 -3.840 1.00 0.00 N ATOM 0 H ARG A 538 -5.123 1.364 -2.072 1.00 0.00 H new ATOM 0 HA ARG A 538 -7.630 2.601 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -6.392 2.591 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -7.767 3.536 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -6.331 4.809 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -4.950 3.820 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -5.263 4.587 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -6.485 5.703 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 538 -4.079 6.038 -2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -5.492 6.713 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -4.426 8.088 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -2.699 7.782 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -2.851 8.691 -4.446 1.00 0.00 H new ATOM 422 N ILE A 539 -9.074 0.744 -1.864 1.00 0.00 N ATOM 423 CA ILE A 539 -9.931 -0.349 -2.284 1.00 0.00 C ATOM 424 C ILE A 539 -11.199 0.179 -2.950 1.00 0.00 C ATOM 425 O ILE A 539 -11.946 0.970 -2.370 1.00 0.00 O ATOM 426 CB ILE A 539 -10.306 -1.236 -1.085 1.00 0.00 C ATOM 427 CG1 ILE A 539 -9.040 -1.628 -0.318 1.00 0.00 C ATOM 428 CG2 ILE A 539 -11.057 -2.474 -1.553 1.00 0.00 C ATOM 429 CD1 ILE A 539 -9.297 -2.482 0.900 1.00 0.00 C ATOM 0 H ILE A 539 -9.464 1.332 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 539 -9.377 -0.947 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 539 -10.962 -0.676 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 539 -8.372 -2.166 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 539 -8.520 -0.721 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 539 -11.315 -3.090 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 539 -11.968 -2.173 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 539 -10.427 -3.046 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 539 -8.350 -2.716 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 539 -9.938 -1.940 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 539 -9.788 -3.407 0.599 1.00 0.00 H new ATOM 441 N LYS A 540 -11.420 -0.268 -4.174 1.00 0.00 N ATOM 442 CA LYS A 540 -12.573 0.160 -4.952 1.00 0.00 C ATOM 443 C LYS A 540 -13.343 -1.021 -5.528 1.00 0.00 C ATOM 444 O LYS A 540 -12.767 -2.058 -5.867 1.00 0.00 O ATOM 445 CB LYS A 540 -12.130 1.104 -6.073 1.00 0.00 C ATOM 446 CG LYS A 540 -11.092 0.503 -7.012 1.00 0.00 C ATOM 447 CD LYS A 540 -10.523 1.542 -7.963 1.00 0.00 C ATOM 448 CE LYS A 540 -11.597 2.145 -8.848 1.00 0.00 C ATOM 449 NZ LYS A 540 -12.172 1.153 -9.795 1.00 0.00 N ATOM 0 H LYS A 540 -10.812 -0.932 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 540 -13.247 0.690 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 540 -13.004 1.398 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 540 -11.722 2.012 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 540 -10.284 0.064 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 540 -11.546 -0.305 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 540 -10.038 2.332 -7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 540 -9.755 1.083 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 540 -12.393 2.551 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 540 -11.176 2.978 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 -12.826 1.633 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 -11.406 0.709 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 -12.686 0.423 -9.263 1.00 0.00 H new ATOM 463 N LYS A 541 -14.653 -0.855 -5.626 1.00 0.00 N ATOM 464 CA LYS A 541 -15.481 -1.877 -6.242 1.00 0.00 C ATOM 465 C LYS A 541 -15.383 -1.748 -7.755 1.00 0.00 C ATOM 466 O LYS A 541 -15.543 -0.659 -8.304 1.00 0.00 O ATOM 467 CB LYS A 541 -16.942 -1.735 -5.799 1.00 0.00 C ATOM 468 CG LYS A 541 -17.900 -2.673 -6.524 1.00 0.00 C ATOM 469 CD LYS A 541 -17.660 -4.127 -6.150 1.00 0.00 C ATOM 470 CE LYS A 541 -18.527 -5.064 -6.973 1.00 0.00 C ATOM 471 NZ LYS A 541 -18.533 -6.448 -6.434 1.00 0.00 N ATOM 0 H LYS A 541 -15.159 -0.035 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 541 -15.126 -2.859 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -17.007 -1.923 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -17.263 -0.706 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -18.927 -2.401 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -17.783 -2.551 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -16.609 -4.374 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -17.871 -4.271 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -19.548 -4.682 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -18.167 -5.079 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -18.151 -7.100 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -17.945 -6.490 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -19.507 -6.725 -6.198 1.00 0.00 H new ATOM 485 N GLY A 542 -15.098 -2.847 -8.422 1.00 0.00 N ATOM 486 CA GLY A 542 -14.976 -2.822 -9.861 1.00 0.00 C ATOM 487 C GLY A 542 -16.219 -3.345 -10.540 1.00 0.00 C ATOM 488 O GLY A 542 -17.109 -3.894 -9.884 1.00 0.00 O ATOM 0 H GLY A 542 -14.948 -3.760 -7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 542 -14.784 -1.801 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -14.117 -3.422 -10.163 1.00 0.00 H new ATOM 492 N SER A 543 -16.293 -3.165 -11.851 1.00 0.00 N ATOM 493 CA SER A 543 -17.402 -3.688 -12.634 1.00 0.00 C ATOM 494 C SER A 543 -17.400 -5.215 -12.606 1.00 0.00 C ATOM 495 O SER A 543 -18.437 -5.856 -12.799 1.00 0.00 O ATOM 496 CB SER A 543 -17.305 -3.191 -14.078 1.00 0.00 C ATOM 497 OG SER A 543 -17.345 -1.774 -14.135 1.00 0.00 O ATOM 0 H SER A 543 -15.595 -2.659 -12.396 1.00 0.00 H new ATOM 0 HA SER A 543 -18.335 -3.332 -12.197 1.00 0.00 H new ATOM 0 HB2 SER A 543 -16.379 -3.550 -14.528 1.00 0.00 H new ATOM 0 HB3 SER A 543 -18.126 -3.605 -14.664 1.00 0.00 H new ATOM 0 HG SER A 543 -17.280 -1.482 -15.068 1.00 0.00 H new ATOM 503 N HIS A 544 -16.230 -5.789 -12.351 1.00 0.00 N ATOM 504 CA HIS A 544 -16.080 -7.234 -12.325 1.00 0.00 C ATOM 505 C HIS A 544 -15.901 -7.740 -10.899 1.00 0.00 C ATOM 506 O HIS A 544 -16.700 -8.537 -10.413 1.00 0.00 O ATOM 507 CB HIS A 544 -14.885 -7.668 -13.181 1.00 0.00 C ATOM 508 CG HIS A 544 -14.948 -7.187 -14.599 1.00 0.00 C ATOM 509 ND1 HIS A 544 -15.759 -7.791 -15.530 1.00 0.00 N ATOM 510 CD2 HIS A 544 -14.291 -6.159 -15.186 1.00 0.00 C ATOM 511 CE1 HIS A 544 -15.579 -7.117 -16.654 1.00 0.00 C ATOM 512 NE2 HIS A 544 -14.698 -6.122 -16.493 1.00 0.00 N ATOM 0 H HIS A 544 -15.372 -5.272 -12.159 1.00 0.00 H new ATOM 0 HA HIS A 544 -16.990 -7.669 -12.737 1.00 0.00 H new ATOM 0 HB2 HIS A 544 -13.968 -7.298 -12.722 1.00 0.00 H new ATOM 0 HB3 HIS A 544 -14.825 -8.756 -13.179 1.00 0.00 H new ATOM 0 HD2 HIS A 544 -13.582 -5.495 -14.714 1.00 0.00 H new ATOM 0 HE1 HIS A 544 -16.080 -7.341 -17.584 1.00 0.00 H new ATOM 0 HE2 HIS A 544 -14.389 -5.463 -17.207 1.00 0.00 H new ATOM 520 N ARG A 545 -14.860 -7.267 -10.221 1.00 0.00 N ATOM 521 CA ARG A 545 -14.531 -7.769 -8.891 1.00 0.00 C ATOM 522 C ARG A 545 -14.206 -6.645 -7.924 1.00 0.00 C ATOM 523 O ARG A 545 -14.232 -5.464 -8.268 1.00 0.00 O ATOM 524 CB ARG A 545 -13.314 -8.698 -8.952 1.00 0.00 C ATOM 525 CG ARG A 545 -13.464 -9.901 -9.862 1.00 0.00 C ATOM 526 CD ARG A 545 -12.191 -10.733 -9.864 1.00 0.00 C ATOM 527 NE ARG A 545 -12.240 -11.825 -10.832 1.00 0.00 N ATOM 528 CZ ARG A 545 -11.416 -12.873 -10.817 1.00 0.00 C ATOM 529 NH1 ARG A 545 -10.502 -12.998 -9.858 1.00 0.00 N ATOM 530 NH2 ARG A 545 -11.516 -13.804 -11.758 1.00 0.00 N ATOM 0 H ARG A 545 -14.233 -6.541 -10.568 1.00 0.00 H new ATOM 0 HA ARG A 545 -15.411 -8.307 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 545 -12.451 -8.119 -9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 545 -13.095 -9.050 -7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 545 -14.304 -10.512 -9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 545 -13.691 -9.571 -10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 545 -11.340 -10.090 -10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 545 -12.026 -11.142 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 545 -12.948 -11.784 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 545 -10.428 -12.289 -9.128 1.00 0.00 H new ATOM 0 HH12 ARG A 545 -9.875 -13.802 -9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 545 -12.222 -13.716 -12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 545 -10.887 -14.607 -11.750 1.00 0.00 H new ATOM 544 N TRP A 546 -13.902 -7.051 -6.708 1.00 0.00 N ATOM 545 CA TRP A 546 -13.379 -6.134 -5.712 1.00 0.00 C ATOM 546 C TRP A 546 -11.874 -6.040 -5.861 1.00 0.00 C ATOM 547 O TRP A 546 -11.175 -7.051 -5.821 1.00 0.00 O ATOM 548 CB TRP A 546 -13.736 -6.586 -4.301 1.00 0.00 C ATOM 549 CG TRP A 546 -15.080 -6.113 -3.870 1.00 0.00 C ATOM 550 CD1 TRP A 546 -16.267 -6.754 -4.042 1.00 0.00 C ATOM 551 CD2 TRP A 546 -15.374 -4.880 -3.206 1.00 0.00 C ATOM 552 NE1 TRP A 546 -17.287 -5.996 -3.519 1.00 0.00 N ATOM 553 CE2 TRP A 546 -16.763 -4.841 -3.000 1.00 0.00 C ATOM 554 CE3 TRP A 546 -14.595 -3.806 -2.764 1.00 0.00 C ATOM 555 CZ2 TRP A 546 -17.392 -3.769 -2.374 1.00 0.00 C ATOM 556 CZ3 TRP A 546 -15.220 -2.742 -2.142 1.00 0.00 C ATOM 557 CH2 TRP A 546 -16.607 -2.731 -1.952 1.00 0.00 C ATOM 0 H TRP A 546 -14.008 -8.012 -6.384 1.00 0.00 H new ATOM 0 HA TRP A 546 -13.830 -5.154 -5.872 1.00 0.00 H new ATOM 0 HB2 TRP A 546 -13.706 -7.675 -4.254 1.00 0.00 H new ATOM 0 HB3 TRP A 546 -12.984 -6.216 -3.604 1.00 0.00 H new ATOM 0 HD1 TRP A 546 -16.390 -7.715 -4.519 1.00 0.00 H new ATOM 0 HE1 TRP A 546 -18.274 -6.252 -3.517 1.00 0.00 H new ATOM 0 HE3 TRP A 546 -13.524 -3.808 -2.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 -18.462 -3.757 -2.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 -14.629 -1.906 -1.797 1.00 0.00 H new ATOM 0 HH2 TRP A 546 -17.067 -1.885 -1.462 1.00 0.00 H new ATOM 568 N GLN A 547 -11.371 -4.834 -6.040 1.00 0.00 N ATOM 569 CA GLN A 547 -9.947 -4.652 -6.220 1.00 0.00 C ATOM 570 C GLN A 547 -9.380 -3.610 -5.277 1.00 0.00 C ATOM 571 O GLN A 547 -10.046 -2.652 -4.889 1.00 0.00 O ATOM 572 CB GLN A 547 -9.634 -4.278 -7.668 1.00 0.00 C ATOM 573 CG GLN A 547 -10.351 -3.030 -8.136 1.00 0.00 C ATOM 574 CD GLN A 547 -10.110 -2.738 -9.601 1.00 0.00 C ATOM 575 OE1 GLN A 547 -10.836 -3.219 -10.472 1.00 0.00 O ATOM 576 NE2 GLN A 547 -9.093 -1.944 -9.883 1.00 0.00 N ATOM 0 H GLN A 547 -11.921 -3.975 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 547 -9.469 -5.603 -5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 547 -8.559 -4.131 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 547 -9.907 -5.110 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -11.421 -3.143 -7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -10.020 -2.180 -7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -8.517 -1.567 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -8.884 -1.708 -10.853 1.00 0.00 H new ATOM 585 N GLY A 548 -8.139 -3.832 -4.924 1.00 0.00 N ATOM 586 CA GLY A 548 -7.421 -2.926 -4.065 1.00 0.00 C ATOM 587 C GLY A 548 -6.028 -2.687 -4.581 1.00 0.00 C ATOM 588 O GLY A 548 -5.458 -3.546 -5.259 1.00 0.00 O ATOM 0 H GLY A 548 -7.599 -4.644 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -7.957 -1.979 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -7.374 -3.336 -3.056 1.00 0.00 H new ATOM 592 N GLU A 549 -5.481 -1.528 -4.283 1.00 0.00 N ATOM 593 CA GLU A 549 -4.136 -1.205 -4.710 1.00 0.00 C ATOM 594 C GLU A 549 -3.377 -0.521 -3.589 1.00 0.00 C ATOM 595 O GLU A 549 -3.950 0.196 -2.768 1.00 0.00 O ATOM 596 CB GLU A 549 -4.157 -0.321 -5.957 1.00 0.00 C ATOM 597 CG GLU A 549 -4.618 1.094 -5.683 1.00 0.00 C ATOM 598 CD GLU A 549 -4.913 1.868 -6.949 1.00 0.00 C ATOM 599 OE1 GLU A 549 -3.957 2.343 -7.595 1.00 0.00 O ATOM 600 OE2 GLU A 549 -6.097 1.997 -7.309 1.00 0.00 O ATOM 0 H GLU A 549 -5.946 -0.795 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 549 -3.626 -2.135 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 549 -3.157 -0.292 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 549 -4.813 -0.771 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 549 -5.514 1.066 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 549 -3.851 1.618 -5.112 1.00 0.00 H new ATOM 607 N THR A 550 -2.093 -0.760 -3.568 1.00 0.00 N ATOM 608 CA THR A 550 -1.242 -0.229 -2.528 1.00 0.00 C ATOM 609 C THR A 550 -0.373 0.901 -3.060 1.00 0.00 C ATOM 610 O THR A 550 0.299 0.757 -4.079 1.00 0.00 O ATOM 611 CB THR A 550 -0.354 -1.324 -1.935 1.00 0.00 C ATOM 612 OG1 THR A 550 -1.162 -2.318 -1.288 1.00 0.00 O ATOM 613 CG2 THR A 550 0.629 -0.732 -0.950 1.00 0.00 C ATOM 0 H THR A 550 -1.606 -1.324 -4.265 1.00 0.00 H new ATOM 0 HA THR A 550 -1.889 0.163 -1.744 1.00 0.00 H new ATOM 0 HB THR A 550 0.205 -1.794 -2.744 1.00 0.00 H new ATOM 0 HG1 THR A 550 -1.163 -3.138 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 550 1.253 -1.525 -0.538 1.00 0.00 H new ATOM 0 HG22 THR A 550 1.259 -0.002 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 550 0.085 -0.242 -0.143 1.00 0.00 H new ATOM 621 N TRP A 551 -0.449 2.040 -2.405 1.00 0.00 N ATOM 622 CA TRP A 551 0.318 3.194 -2.812 1.00 0.00 C ATOM 623 C TRP A 551 1.436 3.479 -1.814 1.00 0.00 C ATOM 624 O TRP A 551 1.315 3.222 -0.615 1.00 0.00 O ATOM 625 CB TRP A 551 -0.575 4.424 -2.948 1.00 0.00 C ATOM 626 CG TRP A 551 -1.252 4.515 -4.276 1.00 0.00 C ATOM 627 CD1 TRP A 551 -2.153 3.638 -4.792 1.00 0.00 C ATOM 628 CD2 TRP A 551 -1.077 5.540 -5.258 1.00 0.00 C ATOM 629 NE1 TRP A 551 -2.552 4.051 -6.040 1.00 0.00 N ATOM 630 CE2 TRP A 551 -1.907 5.218 -6.347 1.00 0.00 C ATOM 631 CE3 TRP A 551 -0.299 6.700 -5.321 1.00 0.00 C ATOM 632 CZ2 TRP A 551 -1.981 6.014 -7.486 1.00 0.00 C ATOM 633 CZ3 TRP A 551 -0.374 7.489 -6.452 1.00 0.00 C ATOM 634 CH2 TRP A 551 -1.210 7.144 -7.520 1.00 0.00 C ATOM 0 H TRP A 551 -1.037 2.190 -1.585 1.00 0.00 H new ATOM 0 HA TRP A 551 0.758 2.972 -3.784 1.00 0.00 H new ATOM 0 HB2 TRP A 551 -1.331 4.405 -2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.025 5.320 -2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 551 -2.504 2.746 -4.294 1.00 0.00 H new ATOM 0 HE1 TRP A 551 -3.220 3.567 -6.640 1.00 0.00 H new ATOM 0 HE3 TRP A 551 0.348 6.974 -4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 -2.623 5.750 -8.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 0.222 8.387 -6.513 1.00 0.00 H new ATOM 0 HH2 TRP A 551 -1.247 7.783 -8.390 1.00 0.00 H new ATOM 645 N TYR A 552 2.514 4.009 -2.350 1.00 0.00 N ATOM 646 CA TYR A 552 3.660 4.418 -1.549 1.00 0.00 C ATOM 647 C TYR A 552 4.087 5.820 -1.935 1.00 0.00 C ATOM 648 O TYR A 552 3.877 6.252 -3.068 1.00 0.00 O ATOM 649 CB TYR A 552 4.844 3.459 -1.737 1.00 0.00 C ATOM 650 CG TYR A 552 4.840 2.230 -0.843 1.00 0.00 C ATOM 651 CD1 TYR A 552 4.106 1.098 -1.172 1.00 0.00 C ATOM 652 CD2 TYR A 552 5.614 2.189 0.310 1.00 0.00 C ATOM 653 CE1 TYR A 552 4.143 -0.034 -0.383 1.00 0.00 C ATOM 654 CE2 TYR A 552 5.648 1.061 1.109 1.00 0.00 C ATOM 655 CZ TYR A 552 4.912 -0.047 0.756 1.00 0.00 C ATOM 656 OH TYR A 552 4.954 -1.178 1.540 1.00 0.00 O ATOM 0 H TYR A 552 2.626 4.171 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 552 3.359 4.396 -0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 552 4.861 3.131 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 552 5.767 4.011 -1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 552 3.495 1.103 -2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 552 6.199 3.053 0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 552 3.570 -0.906 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 552 6.249 1.050 2.006 1.00 0.00 H new ATOM 0 HH TYR A 552 5.616 -1.058 2.252 1.00 0.00 H new ATOM 666 N TYR A 553 4.678 6.539 -1.000 1.00 0.00 N ATOM 667 CA TYR A 553 5.117 7.897 -1.257 1.00 0.00 C ATOM 668 C TYR A 553 6.517 8.105 -0.706 1.00 0.00 C ATOM 669 O TYR A 553 6.792 7.768 0.449 1.00 0.00 O ATOM 670 CB TYR A 553 4.143 8.893 -0.615 1.00 0.00 C ATOM 671 CG TYR A 553 2.687 8.594 -0.910 1.00 0.00 C ATOM 672 CD1 TYR A 553 2.060 9.111 -2.037 1.00 0.00 C ATOM 673 CD2 TYR A 553 1.943 7.779 -0.065 1.00 0.00 C ATOM 674 CE1 TYR A 553 0.735 8.828 -2.311 1.00 0.00 C ATOM 675 CE2 TYR A 553 0.620 7.492 -0.332 1.00 0.00 C ATOM 676 CZ TYR A 553 0.019 8.017 -1.455 1.00 0.00 C ATOM 677 OH TYR A 553 -1.306 7.737 -1.712 1.00 0.00 O ATOM 0 H TYR A 553 4.865 6.205 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 553 5.135 8.066 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 553 4.294 8.891 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 553 4.378 9.897 -0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 553 2.618 9.745 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 553 2.409 7.363 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.263 9.240 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 553 0.057 6.858 0.337 1.00 0.00 H new ATOM 0 HH TYR A 553 -1.842 7.935 -0.916 1.00 0.00 H new ATOM 687 N GLY A 554 7.398 8.635 -1.543 1.00 0.00 N ATOM 688 CA GLY A 554 8.757 8.902 -1.123 1.00 0.00 C ATOM 689 C GLY A 554 8.824 9.963 -0.043 1.00 0.00 C ATOM 690 O GLY A 554 8.159 10.996 -0.143 1.00 0.00 O ATOM 0 H GLY A 554 7.193 8.886 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 554 9.209 7.981 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 554 9.345 9.223 -1.983 1.00 0.00 H new ATOM 694 N PRO A 555 9.634 9.737 1.002 1.00 0.00 N ATOM 695 CA PRO A 555 9.757 10.664 2.133 1.00 0.00 C ATOM 696 C PRO A 555 10.559 11.909 1.777 1.00 0.00 C ATOM 697 O PRO A 555 10.659 12.845 2.567 1.00 0.00 O ATOM 698 CB PRO A 555 10.503 9.841 3.181 1.00 0.00 C ATOM 699 CG PRO A 555 11.308 8.867 2.393 1.00 0.00 C ATOM 700 CD PRO A 555 10.495 8.551 1.167 1.00 0.00 C ATOM 0 HA PRO A 555 8.786 11.032 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 555 11.140 10.472 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 555 9.811 9.332 3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 555 12.275 9.290 2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 555 11.506 7.965 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 555 11.130 8.393 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 555 9.906 7.644 1.300 1.00 0.00 H new ATOM 708 N CYS A 556 11.133 11.905 0.588 1.00 0.00 N ATOM 709 CA CYS A 556 11.968 13.001 0.139 1.00 0.00 C ATOM 710 C CYS A 556 11.790 13.251 -1.354 1.00 0.00 C ATOM 711 O CYS A 556 12.508 14.060 -1.944 1.00 0.00 O ATOM 712 CB CYS A 556 13.437 12.716 0.467 1.00 0.00 C ATOM 713 SG CYS A 556 14.032 11.108 -0.103 1.00 0.00 S ATOM 0 H CYS A 556 11.034 11.148 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 556 11.660 13.903 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 556 14.054 13.497 0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 556 13.574 12.778 1.547 1.00 0.00 H new ATOM 0 HG CYS A 556 13.041 10.431 -0.604 1.00 0.00 H new ATOM 719 N GLY A 557 10.828 12.568 -1.972 1.00 0.00 N ATOM 720 CA GLY A 557 10.752 12.582 -3.417 1.00 0.00 C ATOM 721 C GLY A 557 9.364 12.287 -3.953 1.00 0.00 C ATOM 722 O GLY A 557 8.357 12.615 -3.324 1.00 0.00 O ATOM 0 H GLY A 557 10.111 12.014 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 557 11.073 13.558 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 557 11.451 11.847 -3.817 1.00 0.00 H new ATOM 726 N LYS A 558 9.332 11.649 -5.116 1.00 0.00 N ATOM 727 CA LYS A 558 8.076 11.355 -5.804 1.00 0.00 C ATOM 728 C LYS A 558 7.351 10.183 -5.143 1.00 0.00 C ATOM 729 O LYS A 558 7.805 9.649 -4.131 1.00 0.00 O ATOM 730 CB LYS A 558 8.305 11.065 -7.299 1.00 0.00 C ATOM 731 CG LYS A 558 8.956 9.720 -7.613 1.00 0.00 C ATOM 732 CD LYS A 558 10.449 9.724 -7.339 1.00 0.00 C ATOM 733 CE LYS A 558 11.173 8.713 -8.216 1.00 0.00 C ATOM 734 NZ LYS A 558 10.502 7.385 -8.222 1.00 0.00 N ATOM 0 H LYS A 558 10.165 11.323 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 558 7.448 12.242 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 558 7.345 11.113 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 558 8.928 11.857 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 558 8.482 8.941 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 558 8.782 9.470 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 558 10.852 10.721 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 558 10.629 9.493 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 558 11.228 9.094 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 558 12.198 8.598 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 11.220 6.634 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 9.939 7.277 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 9.878 7.315 -9.051 1.00 0.00 H new ATOM 748 N ARG A 559 6.232 9.777 -5.724 1.00 0.00 N ATOM 749 CA ARG A 559 5.453 8.681 -5.174 1.00 0.00 C ATOM 750 C ARG A 559 5.380 7.530 -6.161 1.00 0.00 C ATOM 751 O ARG A 559 5.320 7.735 -7.375 1.00 0.00 O ATOM 752 CB ARG A 559 4.041 9.129 -4.776 1.00 0.00 C ATOM 753 CG ARG A 559 3.088 9.398 -5.937 1.00 0.00 C ATOM 754 CD ARG A 559 3.439 10.672 -6.692 1.00 0.00 C ATOM 755 NE ARG A 559 3.640 11.806 -5.793 1.00 0.00 N ATOM 756 CZ ARG A 559 3.973 13.029 -6.196 1.00 0.00 C ATOM 757 NH1 ARG A 559 4.120 13.289 -7.489 1.00 0.00 N ATOM 758 NH2 ARG A 559 4.149 13.993 -5.302 1.00 0.00 N ATOM 0 H ARG A 559 5.845 10.189 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 559 5.961 8.343 -4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 559 3.602 8.363 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 559 4.121 10.036 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 559 3.110 8.553 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 559 2.069 9.473 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 559 4.344 10.509 -7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 559 2.642 10.906 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 559 3.517 11.650 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 559 3.978 12.550 -8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 559 4.375 14.228 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 559 4.029 13.795 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 559 4.404 14.932 -5.608 1.00 0.00 H new ATOM 772 N MET A 560 5.417 6.327 -5.626 1.00 0.00 N ATOM 773 CA MET A 560 5.386 5.134 -6.444 1.00 0.00 C ATOM 774 C MET A 560 4.347 4.156 -5.927 1.00 0.00 C ATOM 775 O MET A 560 4.098 4.075 -4.731 1.00 0.00 O ATOM 776 CB MET A 560 6.764 4.460 -6.487 1.00 0.00 C ATOM 777 CG MET A 560 7.879 5.342 -7.044 1.00 0.00 C ATOM 778 SD MET A 560 8.490 6.571 -5.870 1.00 0.00 S ATOM 779 CE MET A 560 8.844 5.540 -4.450 1.00 0.00 C ATOM 0 H MET A 560 5.469 6.150 -4.623 1.00 0.00 H new ATOM 0 HA MET A 560 5.115 5.433 -7.457 1.00 0.00 H new ATOM 0 HB2 MET A 560 7.034 4.147 -5.478 1.00 0.00 H new ATOM 0 HB3 MET A 560 6.695 3.557 -7.093 1.00 0.00 H new ATOM 0 HG2 MET A 560 8.709 4.708 -7.357 1.00 0.00 H new ATOM 0 HG3 MET A 560 7.514 5.854 -7.935 1.00 0.00 H new ATOM 0 HE1 MET A 560 9.525 6.065 -3.780 1.00 0.00 H new ATOM 0 HE2 MET A 560 7.917 5.316 -3.923 1.00 0.00 H new ATOM 0 HE3 MET A 560 9.306 4.610 -4.782 1.00 0.00 H new ATOM 789 N LYS A 561 3.751 3.409 -6.832 1.00 0.00 N ATOM 790 CA LYS A 561 2.785 2.398 -6.453 1.00 0.00 C ATOM 791 C LYS A 561 2.966 1.153 -7.317 1.00 0.00 C ATOM 792 O LYS A 561 2.126 0.252 -7.340 1.00 0.00 O ATOM 793 CB LYS A 561 1.357 2.946 -6.515 1.00 0.00 C ATOM 794 CG LYS A 561 0.953 3.572 -7.844 1.00 0.00 C ATOM 795 CD LYS A 561 0.423 2.543 -8.826 1.00 0.00 C ATOM 796 CE LYS A 561 -0.869 1.905 -8.339 1.00 0.00 C ATOM 797 NZ LYS A 561 -1.411 0.931 -9.321 1.00 0.00 N ATOM 0 H LYS A 561 3.918 3.482 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 561 2.961 2.111 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 561 0.665 2.135 -6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 561 1.239 3.693 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 561 0.190 4.331 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 561 1.813 4.079 -8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 561 0.251 3.018 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 561 1.174 1.769 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -0.689 1.401 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -1.610 2.682 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -1.845 0.133 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -2.128 1.397 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -0.640 0.580 -9.924 1.00 0.00 H new ATOM 811 N GLN A 562 4.092 1.120 -8.012 1.00 0.00 N ATOM 812 CA GLN A 562 4.495 -0.038 -8.786 1.00 0.00 C ATOM 813 C GLN A 562 5.832 -0.543 -8.272 1.00 0.00 C ATOM 814 O GLN A 562 6.682 0.249 -7.860 1.00 0.00 O ATOM 815 CB GLN A 562 4.615 0.318 -10.268 1.00 0.00 C ATOM 816 CG GLN A 562 3.341 0.874 -10.878 1.00 0.00 C ATOM 817 CD GLN A 562 2.200 -0.130 -10.908 1.00 0.00 C ATOM 818 OE1 GLN A 562 1.030 0.241 -10.807 1.00 0.00 O ATOM 819 NE2 GLN A 562 2.522 -1.402 -11.070 1.00 0.00 N ATOM 0 H GLN A 562 4.751 1.897 -8.054 1.00 0.00 H new ATOM 0 HA GLN A 562 3.738 -0.815 -8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 562 5.413 1.050 -10.391 1.00 0.00 H new ATOM 0 HB3 GLN A 562 4.911 -0.573 -10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 562 3.029 1.752 -10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 562 3.549 1.208 -11.895 1.00 0.00 H new ATOM 0 HE21 GLN A 562 3.502 -1.674 -11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 562 1.791 -2.112 -11.115 1.00 0.00 H new ATOM 828 N PHE A 563 6.011 -1.852 -8.303 1.00 0.00 N ATOM 829 CA PHE A 563 7.255 -2.476 -7.872 1.00 0.00 C ATOM 830 C PHE A 563 8.459 -1.929 -8.655 1.00 0.00 C ATOM 831 O PHE A 563 9.448 -1.515 -8.048 1.00 0.00 O ATOM 832 CB PHE A 563 7.157 -3.999 -8.021 1.00 0.00 C ATOM 833 CG PHE A 563 8.333 -4.749 -7.463 1.00 0.00 C ATOM 834 CD1 PHE A 563 8.895 -4.386 -6.249 1.00 0.00 C ATOM 835 CD2 PHE A 563 8.866 -5.830 -8.146 1.00 0.00 C ATOM 836 CE1 PHE A 563 9.965 -5.086 -5.730 1.00 0.00 C ATOM 837 CE2 PHE A 563 9.939 -6.531 -7.633 1.00 0.00 C ATOM 838 CZ PHE A 563 10.489 -6.159 -6.424 1.00 0.00 C ATOM 0 H PHE A 563 5.303 -2.512 -8.626 1.00 0.00 H new ATOM 0 HA PHE A 563 7.411 -2.233 -6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 563 6.251 -4.344 -7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 563 7.053 -4.243 -9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 563 8.491 -3.546 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 563 8.437 -6.128 -9.091 1.00 0.00 H new ATOM 0 HE1 PHE A 563 10.392 -4.795 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 563 10.347 -7.370 -8.178 1.00 0.00 H new ATOM 0 HZ PHE A 563 11.328 -6.706 -6.021 1.00 0.00 H new ATOM 848 N PRO A 564 8.391 -1.884 -10.008 1.00 0.00 N ATOM 849 CA PRO A 564 9.498 -1.376 -10.832 1.00 0.00 C ATOM 850 C PRO A 564 9.778 0.106 -10.590 1.00 0.00 C ATOM 851 O PRO A 564 10.841 0.610 -10.943 1.00 0.00 O ATOM 852 CB PRO A 564 9.018 -1.600 -12.269 1.00 0.00 C ATOM 853 CG PRO A 564 7.536 -1.677 -12.166 1.00 0.00 C ATOM 854 CD PRO A 564 7.257 -2.323 -10.845 1.00 0.00 C ATOM 0 HA PRO A 564 10.434 -1.883 -10.599 1.00 0.00 H new ATOM 0 HB2 PRO A 564 9.327 -0.783 -12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 564 9.434 -2.517 -12.687 1.00 0.00 H new ATOM 0 HG2 PRO A 564 7.087 -0.685 -12.220 1.00 0.00 H new ATOM 0 HG3 PRO A 564 7.116 -2.262 -12.985 1.00 0.00 H new ATOM 0 HD2 PRO A 564 6.302 -1.998 -10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 564 7.215 -3.409 -10.929 1.00 0.00 H new ATOM 862 N GLU A 565 8.836 0.794 -9.953 1.00 0.00 N ATOM 863 CA GLU A 565 8.995 2.206 -9.624 1.00 0.00 C ATOM 864 C GLU A 565 9.715 2.386 -8.291 1.00 0.00 C ATOM 865 O GLU A 565 10.343 3.416 -8.042 1.00 0.00 O ATOM 866 CB GLU A 565 7.631 2.895 -9.592 1.00 0.00 C ATOM 867 CG GLU A 565 6.935 2.930 -10.944 1.00 0.00 C ATOM 868 CD GLU A 565 7.698 3.735 -11.972 1.00 0.00 C ATOM 869 OE1 GLU A 565 7.683 4.979 -11.892 1.00 0.00 O ATOM 870 OE2 GLU A 565 8.308 3.132 -12.877 1.00 0.00 O ATOM 0 H GLU A 565 7.948 0.393 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 565 9.608 2.668 -10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 565 6.990 2.381 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 565 7.757 3.916 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 565 6.807 1.911 -11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 565 5.938 3.353 -10.824 1.00 0.00 H new ATOM 877 N VAL A 566 9.597 1.400 -7.424 1.00 0.00 N ATOM 878 CA VAL A 566 10.265 1.461 -6.135 1.00 0.00 C ATOM 879 C VAL A 566 11.750 1.119 -6.276 1.00 0.00 C ATOM 880 O VAL A 566 12.607 1.803 -5.713 1.00 0.00 O ATOM 881 CB VAL A 566 9.582 0.548 -5.090 1.00 0.00 C ATOM 882 CG1 VAL A 566 10.462 0.375 -3.860 1.00 0.00 C ATOM 883 CG2 VAL A 566 8.226 1.130 -4.695 1.00 0.00 C ATOM 0 H VAL A 566 9.051 0.554 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 566 10.182 2.485 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 566 9.431 -0.434 -5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 566 9.959 -0.271 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 566 11.410 -0.076 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 566 10.648 1.348 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 566 7.752 0.481 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 566 8.367 2.122 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 566 7.590 1.203 -5.577 1.00 0.00 H new ATOM 893 N ILE A 567 12.048 0.080 -7.058 1.00 0.00 N ATOM 894 CA ILE A 567 13.433 -0.370 -7.265 1.00 0.00 C ATOM 895 C ILE A 567 14.302 0.751 -7.828 1.00 0.00 C ATOM 896 O ILE A 567 15.485 0.866 -7.499 1.00 0.00 O ATOM 897 CB ILE A 567 13.510 -1.575 -8.227 1.00 0.00 C ATOM 898 CG1 ILE A 567 12.386 -2.564 -7.940 1.00 0.00 C ATOM 899 CG2 ILE A 567 14.859 -2.272 -8.099 1.00 0.00 C ATOM 900 CD1 ILE A 567 12.350 -3.036 -6.508 1.00 0.00 C ATOM 0 H ILE A 567 11.350 -0.469 -7.561 1.00 0.00 H new ATOM 0 HA ILE A 567 13.804 -0.669 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 567 13.398 -1.204 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 567 11.432 -2.098 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 567 12.496 -3.427 -8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 567 14.897 -3.119 -8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 567 15.656 -1.570 -8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 567 14.990 -2.626 -7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 567 11.526 -3.737 -6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 567 13.290 -3.531 -6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 567 12.208 -2.181 -5.847 1.00 0.00 H new ATOM 912 N LYS A 568 13.694 1.600 -8.640 1.00 0.00 N ATOM 913 CA LYS A 568 14.432 2.701 -9.239 1.00 0.00 C ATOM 914 C LYS A 568 14.720 3.792 -8.219 1.00 0.00 C ATOM 915 O LYS A 568 15.797 4.373 -8.223 1.00 0.00 O ATOM 916 CB LYS A 568 13.710 3.263 -10.460 1.00 0.00 C ATOM 917 CG LYS A 568 12.276 3.658 -10.195 1.00 0.00 C ATOM 918 CD LYS A 568 11.581 4.137 -11.456 1.00 0.00 C ATOM 919 CE LYS A 568 11.598 3.077 -12.543 1.00 0.00 C ATOM 920 NZ LYS A 568 10.785 3.472 -13.719 1.00 0.00 N ATOM 0 H LYS A 568 12.708 1.551 -8.897 1.00 0.00 H new ATOM 0 HA LYS A 568 15.388 2.304 -9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 568 14.255 4.134 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 568 13.730 2.519 -11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 568 11.735 2.806 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 568 12.249 4.447 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 568 10.550 4.404 -11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.070 5.040 -11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 568 12.626 2.897 -12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 568 11.219 2.138 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.879 2.752 -14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 9.787 3.553 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.119 4.388 -14.080 1.00 0.00 H new ATOM 934 N TYR A 569 13.771 4.045 -7.323 1.00 0.00 N ATOM 935 CA TYR A 569 13.906 5.096 -6.322 1.00 0.00 C ATOM 936 C TYR A 569 15.091 4.799 -5.416 1.00 0.00 C ATOM 937 O TYR A 569 15.875 5.688 -5.082 1.00 0.00 O ATOM 938 CB TYR A 569 12.619 5.185 -5.496 1.00 0.00 C ATOM 939 CG TYR A 569 12.556 6.356 -4.536 1.00 0.00 C ATOM 940 CD1 TYR A 569 13.207 6.319 -3.308 1.00 0.00 C ATOM 941 CD2 TYR A 569 11.822 7.489 -4.852 1.00 0.00 C ATOM 942 CE1 TYR A 569 13.129 7.382 -2.426 1.00 0.00 C ATOM 943 CE2 TYR A 569 11.734 8.553 -3.976 1.00 0.00 C ATOM 944 CZ TYR A 569 12.387 8.496 -2.766 1.00 0.00 C ATOM 945 OH TYR A 569 12.288 9.554 -1.893 1.00 0.00 O ATOM 0 H TYR A 569 12.892 3.530 -7.271 1.00 0.00 H new ATOM 0 HA TYR A 569 14.077 6.050 -6.820 1.00 0.00 H new ATOM 0 HB2 TYR A 569 11.771 5.247 -6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 569 12.505 4.262 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 569 13.783 5.446 -3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 569 11.309 7.540 -5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 569 13.645 7.341 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 569 11.155 9.426 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 569 12.170 10.385 -2.398 1.00 0.00 H new ATOM 955 N LEU A 570 15.213 3.535 -5.042 1.00 0.00 N ATOM 956 CA LEU A 570 16.282 3.089 -4.162 1.00 0.00 C ATOM 957 C LEU A 570 17.634 3.217 -4.858 1.00 0.00 C ATOM 958 O LEU A 570 18.644 3.505 -4.225 1.00 0.00 O ATOM 959 CB LEU A 570 16.037 1.635 -3.755 1.00 0.00 C ATOM 960 CG LEU A 570 14.603 1.317 -3.322 1.00 0.00 C ATOM 961 CD1 LEU A 570 14.478 -0.140 -2.921 1.00 0.00 C ATOM 962 CD2 LEU A 570 14.168 2.224 -2.184 1.00 0.00 C ATOM 0 H LEU A 570 14.578 2.793 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 570 16.292 3.717 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 570 16.299 0.990 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 570 16.712 1.384 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 570 13.944 1.498 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 570 13.452 -0.347 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 570 14.740 -0.774 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 570 15.152 -0.348 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 570 13.146 1.979 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 570 14.832 2.081 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 570 14.214 3.263 -2.509 1.00 0.00 H new ATOM 974 N SER A 571 17.640 2.992 -6.167 1.00 0.00 N ATOM 975 CA SER A 571 18.851 3.118 -6.966 1.00 0.00 C ATOM 976 C SER A 571 19.231 4.589 -7.160 1.00 0.00 C ATOM 977 O SER A 571 20.410 4.948 -7.146 1.00 0.00 O ATOM 978 CB SER A 571 18.651 2.434 -8.323 1.00 0.00 C ATOM 979 OG SER A 571 19.829 2.483 -9.111 1.00 0.00 O ATOM 0 H SER A 571 16.814 2.720 -6.699 1.00 0.00 H new ATOM 0 HA SER A 571 19.668 2.629 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 571 18.359 1.395 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 571 17.834 2.918 -8.858 1.00 0.00 H new ATOM 0 HG SER A 571 19.668 2.037 -9.969 1.00 0.00 H new ATOM 985 N ARG A 572 18.220 5.434 -7.337 1.00 0.00 N ATOM 986 CA ARG A 572 18.429 6.855 -7.608 1.00 0.00 C ATOM 987 C ARG A 572 18.883 7.605 -6.359 1.00 0.00 C ATOM 988 O ARG A 572 19.626 8.583 -6.446 1.00 0.00 O ATOM 989 CB ARG A 572 17.139 7.477 -8.152 1.00 0.00 C ATOM 990 CG ARG A 572 16.695 6.876 -9.476 1.00 0.00 C ATOM 991 CD ARG A 572 15.288 7.306 -9.856 1.00 0.00 C ATOM 992 NE ARG A 572 15.170 8.754 -10.012 1.00 0.00 N ATOM 993 CZ ARG A 572 14.436 9.345 -10.955 1.00 0.00 C ATOM 994 NH1 ARG A 572 13.782 8.615 -11.852 1.00 0.00 N ATOM 995 NH2 ARG A 572 14.363 10.668 -11.003 1.00 0.00 N ATOM 0 H ARG A 572 17.239 5.157 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 572 19.219 6.941 -8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 572 16.344 7.349 -7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 572 17.286 8.550 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 572 17.390 7.176 -10.261 1.00 0.00 H new ATOM 0 HG3 ARG A 572 16.736 5.789 -9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 572 15.001 6.819 -10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 572 14.589 6.968 -9.091 1.00 0.00 H new ATOM 0 HE ARG A 572 15.680 9.349 -9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 572 13.840 7.597 -11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 572 13.222 9.072 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 572 14.868 11.232 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 572 13.802 11.122 -11.724 1.00 0.00 H new ATOM 1009 N ASN A 573 18.446 7.138 -5.202 1.00 0.00 N ATOM 1010 CA ASN A 573 18.740 7.814 -3.944 1.00 0.00 C ATOM 1011 C ASN A 573 19.605 6.931 -3.060 1.00 0.00 C ATOM 1012 O ASN A 573 19.918 5.799 -3.421 1.00 0.00 O ATOM 1013 CB ASN A 573 17.440 8.163 -3.214 1.00 0.00 C ATOM 1014 CG ASN A 573 16.565 9.119 -4.001 1.00 0.00 C ATOM 1015 OD1 ASN A 573 16.650 10.335 -3.836 1.00 0.00 O ATOM 1016 ND2 ASN A 573 15.723 8.577 -4.871 1.00 0.00 N ATOM 0 H ASN A 573 17.885 6.292 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 573 19.282 8.734 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 573 16.883 7.247 -3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 573 17.679 8.607 -2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 573 15.116 9.174 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 573 15.683 7.563 -4.978 1.00 0.00 H new ATOM 1023 N VAL A 574 20.004 7.450 -1.911 1.00 0.00 N ATOM 1024 CA VAL A 574 20.743 6.655 -0.944 1.00 0.00 C ATOM 1025 C VAL A 574 19.794 6.174 0.144 1.00 0.00 C ATOM 1026 O VAL A 574 19.236 6.980 0.890 1.00 0.00 O ATOM 1027 CB VAL A 574 21.892 7.463 -0.303 1.00 0.00 C ATOM 1028 CG1 VAL A 574 22.654 6.617 0.707 1.00 0.00 C ATOM 1029 CG2 VAL A 574 22.835 7.995 -1.372 1.00 0.00 C ATOM 0 H VAL A 574 19.830 8.414 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 574 21.180 5.805 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 574 21.455 8.311 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 574 23.458 7.209 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 574 21.975 6.290 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 574 23.076 5.745 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 574 23.638 8.561 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.260 7.161 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 574 22.284 8.644 -2.052 1.00 0.00 H new ATOM 1039 N VAL A 575 19.624 4.862 0.237 1.00 0.00 N ATOM 1040 CA VAL A 575 18.672 4.271 1.171 1.00 0.00 C ATOM 1041 C VAL A 575 19.218 2.951 1.703 1.00 0.00 C ATOM 1042 O VAL A 575 19.284 1.964 0.972 1.00 0.00 O ATOM 1043 CB VAL A 575 17.295 4.011 0.505 1.00 0.00 C ATOM 1044 CG1 VAL A 575 16.308 3.445 1.507 1.00 0.00 C ATOM 1045 CG2 VAL A 575 16.725 5.275 -0.120 1.00 0.00 C ATOM 0 H VAL A 575 20.136 4.182 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 575 18.533 4.982 1.986 1.00 0.00 H new ATOM 0 HB VAL A 575 17.456 3.281 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 575 15.350 3.271 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 575 16.690 2.503 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 575 16.173 4.153 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 575 15.760 5.052 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 575 16.595 6.035 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 575 17.410 5.645 -0.883 1.00 0.00 H new ATOM 1055 N HIS A 576 19.618 2.942 2.968 1.00 0.00 N ATOM 1056 CA HIS A 576 20.196 1.751 3.585 1.00 0.00 C ATOM 1057 C HIS A 576 19.210 1.102 4.559 1.00 0.00 C ATOM 1058 O HIS A 576 19.242 -0.111 4.771 1.00 0.00 O ATOM 1059 CB HIS A 576 21.504 2.120 4.308 1.00 0.00 C ATOM 1060 CG HIS A 576 22.202 0.967 4.973 1.00 0.00 C ATOM 1061 ND1 HIS A 576 23.166 0.235 4.321 1.00 0.00 N ATOM 1062 CD2 HIS A 576 22.049 0.475 6.227 1.00 0.00 C ATOM 1063 CE1 HIS A 576 23.573 -0.679 5.186 1.00 0.00 C ATOM 1064 NE2 HIS A 576 22.925 -0.573 6.354 1.00 0.00 N ATOM 0 H HIS A 576 19.553 3.748 3.590 1.00 0.00 H new ATOM 0 HA HIS A 576 20.414 1.027 2.800 1.00 0.00 H new ATOM 0 HB2 HIS A 576 22.186 2.573 3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 576 21.286 2.878 5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 576 21.368 0.839 6.982 1.00 0.00 H new ATOM 0 HE1 HIS A 576 24.332 -1.418 4.977 1.00 0.00 H new ATOM 0 HE2 HIS A 576 23.058 -1.159 7.179 1.00 0.00 H new ATOM 1072 N SER A 577 18.324 1.907 5.131 1.00 0.00 N ATOM 1073 CA SER A 577 17.400 1.421 6.150 1.00 0.00 C ATOM 1074 C SER A 577 16.365 0.467 5.561 1.00 0.00 C ATOM 1075 O SER A 577 16.071 -0.581 6.137 1.00 0.00 O ATOM 1076 CB SER A 577 16.694 2.601 6.811 1.00 0.00 C ATOM 1077 OG SER A 577 17.629 3.549 7.297 1.00 0.00 O ATOM 0 H SER A 577 18.225 2.897 4.908 1.00 0.00 H new ATOM 0 HA SER A 577 17.979 0.872 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 577 16.027 3.078 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 577 16.074 2.243 7.633 1.00 0.00 H new ATOM 0 HG SER A 577 17.151 4.296 7.714 1.00 0.00 H new ATOM 1083 N VAL A 578 15.821 0.833 4.413 1.00 0.00 N ATOM 1084 CA VAL A 578 14.799 0.017 3.777 1.00 0.00 C ATOM 1085 C VAL A 578 15.199 -0.438 2.381 1.00 0.00 C ATOM 1086 O VAL A 578 15.790 0.313 1.606 1.00 0.00 O ATOM 1087 CB VAL A 578 13.431 0.739 3.738 1.00 0.00 C ATOM 1088 CG1 VAL A 578 12.788 0.708 5.113 1.00 0.00 C ATOM 1089 CG2 VAL A 578 13.571 2.181 3.265 1.00 0.00 C ATOM 0 H VAL A 578 16.067 1.683 3.905 1.00 0.00 H new ATOM 0 HA VAL A 578 14.699 -0.875 4.395 1.00 0.00 H new ATOM 0 HB VAL A 578 12.797 0.212 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 578 11.826 1.218 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 578 12.638 -0.327 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 578 13.438 1.210 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 578 12.590 2.656 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 578 14.227 2.725 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 578 13.996 2.195 2.261 1.00 0.00 H new ATOM 1099 N ARG A 579 14.888 -1.692 2.084 1.00 0.00 N ATOM 1100 CA ARG A 579 15.140 -2.270 0.777 1.00 0.00 C ATOM 1101 C ARG A 579 13.807 -2.548 0.103 1.00 0.00 C ATOM 1102 O ARG A 579 12.760 -2.419 0.732 1.00 0.00 O ATOM 1103 CB ARG A 579 15.935 -3.580 0.885 1.00 0.00 C ATOM 1104 CG ARG A 579 17.171 -3.496 1.767 1.00 0.00 C ATOM 1105 CD ARG A 579 18.082 -2.366 1.333 1.00 0.00 C ATOM 1106 NE ARG A 579 19.367 -2.387 2.024 1.00 0.00 N ATOM 1107 CZ ARG A 579 20.380 -1.579 1.720 1.00 0.00 C ATOM 1108 NH1 ARG A 579 20.256 -0.701 0.733 1.00 0.00 N ATOM 1109 NH2 ARG A 579 21.515 -1.646 2.404 1.00 0.00 N ATOM 0 H ARG A 579 14.453 -2.336 2.745 1.00 0.00 H new ATOM 0 HA ARG A 579 15.731 -1.564 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 579 15.278 -4.358 1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 579 16.238 -3.890 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 579 16.871 -3.346 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 579 17.714 -4.440 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 579 18.250 -2.432 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 579 17.588 -1.413 1.521 1.00 0.00 H new ATOM 0 HE ARG A 579 19.496 -3.058 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 579 19.384 -0.645 0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 579 21.033 -0.082 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 579 21.613 -2.318 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 579 22.290 -1.026 2.169 1.00 0.00 H new ATOM 1123 N ARG A 580 13.849 -2.939 -1.162 1.00 0.00 N ATOM 1124 CA ARG A 580 12.645 -3.230 -1.941 1.00 0.00 C ATOM 1125 C ARG A 580 11.707 -4.206 -1.222 1.00 0.00 C ATOM 1126 O ARG A 580 10.491 -4.113 -1.368 1.00 0.00 O ATOM 1127 CB ARG A 580 13.007 -3.783 -3.323 1.00 0.00 C ATOM 1128 CG ARG A 580 13.820 -5.067 -3.301 1.00 0.00 C ATOM 1129 CD ARG A 580 15.314 -4.795 -3.331 1.00 0.00 C ATOM 1130 NE ARG A 580 16.099 -6.024 -3.252 1.00 0.00 N ATOM 1131 CZ ARG A 580 17.387 -6.065 -2.909 1.00 0.00 C ATOM 1132 NH1 ARG A 580 18.051 -4.941 -2.661 1.00 0.00 N ATOM 1133 NH2 ARG A 580 18.012 -7.230 -2.828 1.00 0.00 N ATOM 0 H ARG A 580 14.718 -3.065 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 580 12.116 -2.284 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 580 12.087 -3.961 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 580 13.568 -3.023 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 580 13.573 -5.637 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 580 13.547 -5.684 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 580 15.567 -4.263 -4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 580 15.580 -4.142 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 580 15.634 -6.905 -3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 580 17.576 -4.041 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 580 19.036 -4.978 -2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 580 17.508 -8.094 -3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 580 18.997 -7.263 -2.566 1.00 0.00 H new ATOM 1147 N GLU A 581 12.267 -5.146 -0.458 1.00 0.00 N ATOM 1148 CA GLU A 581 11.481 -6.121 0.302 1.00 0.00 C ATOM 1149 C GLU A 581 10.558 -5.477 1.339 1.00 0.00 C ATOM 1150 O GLU A 581 9.507 -6.030 1.661 1.00 0.00 O ATOM 1151 CB GLU A 581 12.424 -7.104 0.994 1.00 0.00 C ATOM 1152 CG GLU A 581 13.338 -6.450 2.017 1.00 0.00 C ATOM 1153 CD GLU A 581 14.419 -7.381 2.509 1.00 0.00 C ATOM 1154 OE1 GLU A 581 15.476 -7.467 1.853 1.00 0.00 O ATOM 1155 OE2 GLU A 581 14.221 -8.032 3.555 1.00 0.00 O ATOM 0 H GLU A 581 13.275 -5.253 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 581 10.839 -6.638 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 581 11.833 -7.876 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 581 13.033 -7.602 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 581 13.798 -5.566 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 581 12.743 -6.109 2.865 1.00 0.00 H new ATOM 1162 N HIS A 582 10.946 -4.318 1.853 1.00 0.00 N ATOM 1163 CA HIS A 582 10.169 -3.630 2.883 1.00 0.00 C ATOM 1164 C HIS A 582 8.911 -3.012 2.286 1.00 0.00 C ATOM 1165 O HIS A 582 8.011 -2.573 2.999 1.00 0.00 O ATOM 1166 CB HIS A 582 11.012 -2.557 3.568 1.00 0.00 C ATOM 1167 CG HIS A 582 12.124 -3.109 4.406 1.00 0.00 C ATOM 1168 ND1 HIS A 582 13.435 -2.997 4.020 1.00 0.00 N ATOM 1169 CD2 HIS A 582 12.070 -3.749 5.600 1.00 0.00 C ATOM 1170 CE1 HIS A 582 14.147 -3.562 4.976 1.00 0.00 C ATOM 1171 NE2 HIS A 582 13.362 -4.035 5.955 1.00 0.00 N ATOM 0 H HIS A 582 11.797 -3.830 1.574 1.00 0.00 H new ATOM 0 HA HIS A 582 9.872 -4.366 3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 582 11.434 -1.899 2.808 1.00 0.00 H new ATOM 0 HB3 HIS A 582 10.365 -1.945 4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 582 11.180 -3.987 6.163 1.00 0.00 H new ATOM 0 HE1 HIS A 582 15.225 -3.634 4.971 1.00 0.00 H new ATOM 0 HE2 HIS A 582 13.668 -4.515 6.801 1.00 0.00 H new ATOM 1179 N PHE A 583 8.869 -2.990 0.969 1.00 0.00 N ATOM 1180 CA PHE A 583 7.767 -2.391 0.246 1.00 0.00 C ATOM 1181 C PHE A 583 6.925 -3.489 -0.381 1.00 0.00 C ATOM 1182 O PHE A 583 7.433 -4.317 -1.139 1.00 0.00 O ATOM 1183 CB PHE A 583 8.285 -1.432 -0.827 1.00 0.00 C ATOM 1184 CG PHE A 583 9.254 -0.412 -0.299 1.00 0.00 C ATOM 1185 CD1 PHE A 583 8.818 0.649 0.469 1.00 0.00 C ATOM 1186 CD2 PHE A 583 10.602 -0.522 -0.574 1.00 0.00 C ATOM 1187 CE1 PHE A 583 9.711 1.582 0.955 1.00 0.00 C ATOM 1188 CE2 PHE A 583 11.503 0.407 -0.094 1.00 0.00 C ATOM 1189 CZ PHE A 583 11.057 1.461 0.672 1.00 0.00 C ATOM 0 H PHE A 583 9.595 -3.386 0.372 1.00 0.00 H new ATOM 0 HA PHE A 583 7.152 -1.817 0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 583 8.769 -2.008 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 583 7.439 -0.917 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 583 7.766 0.750 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 583 10.957 -1.347 -1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 583 9.357 2.406 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 583 12.555 0.308 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 583 11.758 2.191 1.050 1.00 0.00 H new ATOM 1199 N SER A 584 5.644 -3.505 -0.069 1.00 0.00 N ATOM 1200 CA SER A 584 4.767 -4.556 -0.542 1.00 0.00 C ATOM 1201 C SER A 584 3.474 -3.937 -1.037 1.00 0.00 C ATOM 1202 O SER A 584 2.901 -3.071 -0.373 1.00 0.00 O ATOM 1203 CB SER A 584 4.487 -5.565 0.574 1.00 0.00 C ATOM 1204 OG SER A 584 3.907 -4.930 1.700 1.00 0.00 O ATOM 0 H SER A 584 5.188 -2.801 0.511 1.00 0.00 H new ATOM 0 HA SER A 584 5.250 -5.089 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 584 3.818 -6.343 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 584 5.415 -6.055 0.867 1.00 0.00 H new ATOM 0 HG SER A 584 3.450 -5.598 2.253 1.00 0.00 H new ATOM 1210 N PHE A 585 3.020 -4.363 -2.197 1.00 0.00 N ATOM 1211 CA PHE A 585 1.829 -3.787 -2.784 1.00 0.00 C ATOM 1212 C PHE A 585 0.632 -4.705 -2.620 1.00 0.00 C ATOM 1213 O PHE A 585 -0.475 -4.380 -3.052 1.00 0.00 O ATOM 1214 CB PHE A 585 2.072 -3.448 -4.248 1.00 0.00 C ATOM 1215 CG PHE A 585 3.008 -2.292 -4.420 1.00 0.00 C ATOM 1216 CD1 PHE A 585 2.599 -1.022 -4.073 1.00 0.00 C ATOM 1217 CD2 PHE A 585 4.291 -2.468 -4.908 1.00 0.00 C ATOM 1218 CE1 PHE A 585 3.440 0.055 -4.208 1.00 0.00 C ATOM 1219 CE2 PHE A 585 5.143 -1.388 -5.046 1.00 0.00 C ATOM 1220 CZ PHE A 585 4.712 -0.122 -4.694 1.00 0.00 C ATOM 0 H PHE A 585 3.455 -5.102 -2.749 1.00 0.00 H new ATOM 0 HA PHE A 585 1.600 -2.863 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 585 2.480 -4.321 -4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 585 1.121 -3.216 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 585 1.601 -0.872 -3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 585 4.629 -3.456 -5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 585 3.101 1.042 -3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 585 6.143 -1.533 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 585 5.374 0.725 -4.801 1.00 0.00 H new ATOM 1230 N SER A 586 0.861 -5.850 -1.997 1.00 0.00 N ATOM 1231 CA SER A 586 -0.218 -6.754 -1.637 1.00 0.00 C ATOM 1232 C SER A 586 -1.194 -6.073 -0.672 1.00 0.00 C ATOM 1233 O SER A 586 -0.827 -5.729 0.456 1.00 0.00 O ATOM 1234 CB SER A 586 0.366 -8.005 -0.984 1.00 0.00 C ATOM 1235 OG SER A 586 1.394 -8.559 -1.784 1.00 0.00 O ATOM 0 H SER A 586 1.790 -6.176 -1.729 1.00 0.00 H new ATOM 0 HA SER A 586 -0.762 -7.030 -2.540 1.00 0.00 H new ATOM 0 HB2 SER A 586 0.761 -7.756 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 586 -0.422 -8.743 -0.834 1.00 0.00 H new ATOM 0 HG SER A 586 1.755 -9.358 -1.346 1.00 0.00 H new ATOM 1241 N PRO A 587 -2.456 -5.872 -1.099 1.00 0.00 N ATOM 1242 CA PRO A 587 -3.486 -5.243 -0.266 1.00 0.00 C ATOM 1243 C PRO A 587 -4.004 -6.186 0.814 1.00 0.00 C ATOM 1244 O PRO A 587 -4.992 -5.899 1.485 1.00 0.00 O ATOM 1245 CB PRO A 587 -4.591 -4.918 -1.266 1.00 0.00 C ATOM 1246 CG PRO A 587 -4.461 -5.977 -2.301 1.00 0.00 C ATOM 1247 CD PRO A 587 -2.982 -6.228 -2.435 1.00 0.00 C ATOM 0 HA PRO A 587 -3.109 -4.373 0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -5.574 -4.938 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -4.463 -3.924 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -4.988 -6.884 -2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -4.892 -5.655 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -2.771 -7.267 -2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -2.539 -5.614 -3.219 1.00 0.00 H new ATOM 1255 N ARG A 588 -3.322 -7.311 0.982 1.00 0.00 N ATOM 1256 CA ARG A 588 -3.646 -8.274 2.016 1.00 0.00 C ATOM 1257 C ARG A 588 -2.752 -8.034 3.223 1.00 0.00 C ATOM 1258 O ARG A 588 -2.846 -8.726 4.234 1.00 0.00 O ATOM 1259 CB ARG A 588 -3.455 -9.699 1.491 1.00 0.00 C ATOM 1260 CG ARG A 588 -4.369 -10.047 0.326 1.00 0.00 C ATOM 1261 CD ARG A 588 -4.081 -11.435 -0.219 1.00 0.00 C ATOM 1262 NE ARG A 588 -4.178 -12.468 0.811 1.00 0.00 N ATOM 1263 CZ ARG A 588 -4.242 -13.773 0.550 1.00 0.00 C ATOM 1264 NH1 ARG A 588 -4.264 -14.204 -0.706 1.00 0.00 N ATOM 1265 NH2 ARG A 588 -4.285 -14.648 1.544 1.00 0.00 N ATOM 0 H ARG A 588 -2.527 -7.579 0.402 1.00 0.00 H new ATOM 0 HA ARG A 588 -4.689 -8.153 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 588 -2.418 -9.826 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 588 -3.632 -10.403 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 588 -5.408 -9.992 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 588 -4.243 -9.311 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 588 -4.782 -11.660 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 588 -3.082 -11.452 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 588 -4.198 -12.172 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 588 -4.232 -13.535 -1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 588 -4.313 -15.204 -0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 588 -4.269 -14.323 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 588 -4.334 -15.647 1.343 1.00 0.00 H new ATOM 1279 N MET A 589 -1.879 -7.045 3.092 1.00 0.00 N ATOM 1280 CA MET A 589 -0.970 -6.677 4.166 1.00 0.00 C ATOM 1281 C MET A 589 -1.502 -5.466 4.925 1.00 0.00 C ATOM 1282 O MET A 589 -1.429 -4.338 4.435 1.00 0.00 O ATOM 1283 CB MET A 589 0.423 -6.371 3.610 1.00 0.00 C ATOM 1284 CG MET A 589 1.484 -6.259 4.683 1.00 0.00 C ATOM 1285 SD MET A 589 1.717 -7.790 5.603 1.00 0.00 S ATOM 1286 CE MET A 589 2.442 -8.832 4.339 1.00 0.00 C ATOM 0 H MET A 589 -1.782 -6.481 2.248 1.00 0.00 H new ATOM 0 HA MET A 589 -0.897 -7.520 4.853 1.00 0.00 H new ATOM 0 HB2 MET A 589 0.707 -7.155 2.908 1.00 0.00 H new ATOM 0 HB3 MET A 589 0.385 -5.438 3.047 1.00 0.00 H new ATOM 0 HG2 MET A 589 2.429 -5.970 4.223 1.00 0.00 H new ATOM 0 HG3 MET A 589 1.210 -5.463 5.376 1.00 0.00 H new ATOM 0 HE1 MET A 589 2.886 -9.712 4.804 1.00 0.00 H new ATOM 0 HE2 MET A 589 1.669 -9.144 3.637 1.00 0.00 H new ATOM 0 HE3 MET A 589 3.213 -8.275 3.806 1.00 0.00 H new ATOM 1296 N PRO A 590 -2.048 -5.684 6.129 1.00 0.00 N ATOM 1297 CA PRO A 590 -2.620 -4.615 6.947 1.00 0.00 C ATOM 1298 C PRO A 590 -1.554 -3.841 7.713 1.00 0.00 C ATOM 1299 O PRO A 590 -1.369 -4.034 8.914 1.00 0.00 O ATOM 1300 CB PRO A 590 -3.529 -5.375 7.908 1.00 0.00 C ATOM 1301 CG PRO A 590 -2.860 -6.695 8.090 1.00 0.00 C ATOM 1302 CD PRO A 590 -2.155 -6.998 6.792 1.00 0.00 C ATOM 0 HA PRO A 590 -3.136 -3.863 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -3.632 -4.848 8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -4.532 -5.492 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -2.152 -6.660 8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -3.589 -7.470 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -1.173 -7.439 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -2.721 -7.706 6.186 1.00 0.00 H new ATOM 1310 N VAL A 591 -0.820 -2.993 7.007 1.00 0.00 N ATOM 1311 CA VAL A 591 0.259 -2.253 7.635 1.00 0.00 C ATOM 1312 C VAL A 591 -0.040 -0.767 7.809 1.00 0.00 C ATOM 1313 O VAL A 591 -0.206 -0.318 8.942 1.00 0.00 O ATOM 1314 CB VAL A 591 1.586 -2.468 6.893 1.00 0.00 C ATOM 1315 CG1 VAL A 591 2.666 -1.562 7.446 1.00 0.00 C ATOM 1316 CG2 VAL A 591 1.995 -3.917 7.031 1.00 0.00 C ATOM 0 H VAL A 591 -0.951 -2.803 6.013 1.00 0.00 H new ATOM 0 HA VAL A 591 0.353 -2.660 8.642 1.00 0.00 H new ATOM 0 HB VAL A 591 1.452 -2.221 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 591 3.596 -1.733 6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 591 2.363 -0.521 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 591 2.817 -1.779 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 591 2.937 -4.081 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 591 2.119 -4.161 8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 591 1.224 -4.555 6.599 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.110 0.018 6.733 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.270 1.446 6.902 1.00 0.00 C ATOM 1328 C GLY A 592 -1.718 1.859 6.953 1.00 0.00 C ATOM 1329 O GLY A 592 -2.401 1.634 7.951 1.00 0.00 O ATOM 0 H GLY A 592 -0.059 -0.306 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.227 1.758 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.224 1.964 6.080 1.00 0.00 H new ATOM 1333 N ASP A 593 -2.197 2.444 5.873 1.00 0.00 N ATOM 1334 CA ASP A 593 -3.542 2.960 5.840 1.00 0.00 C ATOM 1335 C ASP A 593 -4.376 2.238 4.798 1.00 0.00 C ATOM 1336 O ASP A 593 -3.900 1.901 3.723 1.00 0.00 O ATOM 1337 CB ASP A 593 -3.534 4.464 5.567 1.00 0.00 C ATOM 1338 CG ASP A 593 -2.920 5.261 6.702 1.00 0.00 C ATOM 1339 OD1 ASP A 593 -1.680 5.415 6.729 1.00 0.00 O ATOM 1340 OD2 ASP A 593 -3.675 5.736 7.576 1.00 0.00 O ATOM 0 H ASP A 593 -1.671 2.572 5.009 1.00 0.00 H new ATOM 0 HA ASP A 593 -3.993 2.786 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.979 4.660 4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.556 4.804 5.401 1.00 0.00 H new ATOM 1345 N PHE A 594 -5.610 1.987 5.163 1.00 0.00 N ATOM 1346 CA PHE A 594 -6.576 1.346 4.273 1.00 0.00 C ATOM 1347 C PHE A 594 -7.795 2.225 4.058 1.00 0.00 C ATOM 1348 O PHE A 594 -8.359 2.763 5.010 1.00 0.00 O ATOM 1349 CB PHE A 594 -7.001 -0.014 4.823 1.00 0.00 C ATOM 1350 CG PHE A 594 -6.060 -1.134 4.475 1.00 0.00 C ATOM 1351 CD1 PHE A 594 -4.777 -1.176 4.997 1.00 0.00 C ATOM 1352 CD2 PHE A 594 -6.467 -2.150 3.625 1.00 0.00 C ATOM 1353 CE1 PHE A 594 -3.919 -2.210 4.678 1.00 0.00 C ATOM 1354 CE2 PHE A 594 -5.613 -3.187 3.302 1.00 0.00 C ATOM 1355 CZ PHE A 594 -4.338 -3.216 3.829 1.00 0.00 C ATOM 0 H PHE A 594 -5.983 2.218 6.084 1.00 0.00 H new ATOM 0 HA PHE A 594 -6.087 1.198 3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 594 -7.084 0.054 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 594 -7.993 -0.255 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 594 -4.444 -0.391 5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 594 -7.464 -2.131 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 594 -2.922 -2.232 5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 594 -5.943 -3.973 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 594 -3.668 -4.025 3.578 1.00 0.00 H new ATOM 1365 N PHE A 595 -8.189 2.382 2.799 1.00 0.00 N ATOM 1366 CA PHE A 595 -9.351 3.182 2.452 1.00 0.00 C ATOM 1367 C PHE A 595 -10.267 2.409 1.514 1.00 0.00 C ATOM 1368 O PHE A 595 -9.824 1.527 0.779 1.00 0.00 O ATOM 1369 CB PHE A 595 -8.918 4.486 1.767 1.00 0.00 C ATOM 1370 CG PHE A 595 -7.789 5.188 2.465 1.00 0.00 C ATOM 1371 CD1 PHE A 595 -6.477 4.821 2.213 1.00 0.00 C ATOM 1372 CD2 PHE A 595 -8.033 6.200 3.378 1.00 0.00 C ATOM 1373 CE1 PHE A 595 -5.435 5.444 2.857 1.00 0.00 C ATOM 1374 CE2 PHE A 595 -6.987 6.831 4.025 1.00 0.00 C ATOM 1375 CZ PHE A 595 -5.686 6.448 3.761 1.00 0.00 C ATOM 0 H PHE A 595 -7.715 1.962 1.999 1.00 0.00 H new ATOM 0 HA PHE A 595 -9.887 3.416 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 595 -8.619 4.266 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 595 -9.774 5.159 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 595 -6.271 4.035 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 595 -9.050 6.499 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 595 -4.418 5.144 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 595 -7.186 7.621 4.734 1.00 0.00 H new ATOM 0 HZ PHE A 595 -4.866 6.938 4.265 1.00 0.00 H new ATOM 1385 N GLU A 596 -11.536 2.758 1.543 1.00 0.00 N ATOM 1386 CA GLU A 596 -12.517 2.158 0.657 1.00 0.00 C ATOM 1387 C GLU A 596 -13.417 3.249 0.093 1.00 0.00 C ATOM 1388 O GLU A 596 -13.933 4.080 0.845 1.00 0.00 O ATOM 1389 CB GLU A 596 -13.351 1.122 1.418 1.00 0.00 C ATOM 1390 CG GLU A 596 -14.438 0.469 0.578 1.00 0.00 C ATOM 1391 CD GLU A 596 -15.340 -0.436 1.390 1.00 0.00 C ATOM 1392 OE1 GLU A 596 -16.129 0.081 2.207 1.00 0.00 O ATOM 1393 OE2 GLU A 596 -15.273 -1.672 1.218 1.00 0.00 O ATOM 0 H GLU A 596 -11.917 3.461 2.176 1.00 0.00 H new ATOM 0 HA GLU A 596 -12.006 1.653 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 596 -12.688 0.347 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 596 -13.812 1.603 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 596 -15.040 1.244 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 596 -13.975 -0.109 -0.222 1.00 0.00 H new ATOM 1400 N GLU A 597 -13.594 3.270 -1.221 1.00 0.00 N ATOM 1401 CA GLU A 597 -14.412 4.285 -1.862 1.00 0.00 C ATOM 1402 C GLU A 597 -15.885 3.998 -1.612 1.00 0.00 C ATOM 1403 O GLU A 597 -16.378 2.904 -1.892 1.00 0.00 O ATOM 1404 CB GLU A 597 -14.128 4.338 -3.367 1.00 0.00 C ATOM 1405 CG GLU A 597 -15.155 5.142 -4.151 1.00 0.00 C ATOM 1406 CD GLU A 597 -14.775 5.344 -5.603 1.00 0.00 C ATOM 1407 OE1 GLU A 597 -14.929 4.397 -6.402 1.00 0.00 O ATOM 1408 OE2 GLU A 597 -14.341 6.459 -5.957 1.00 0.00 O ATOM 0 H GLU A 597 -13.181 2.594 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 597 -14.162 5.256 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 597 -13.140 4.771 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 597 -14.098 3.321 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 597 -16.118 4.634 -4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 597 -15.283 6.115 -3.677 1.00 0.00 H new ATOM 1415 N ARG A 598 -16.579 4.989 -1.084 1.00 0.00 N ATOM 1416 CA ARG A 598 -17.967 4.841 -0.701 1.00 0.00 C ATOM 1417 C ARG A 598 -18.776 6.017 -1.222 1.00 0.00 C ATOM 1418 O ARG A 598 -18.221 7.082 -1.510 1.00 0.00 O ATOM 1419 CB ARG A 598 -18.068 4.760 0.826 1.00 0.00 C ATOM 1420 CG ARG A 598 -19.480 4.578 1.350 1.00 0.00 C ATOM 1421 CD ARG A 598 -19.525 4.580 2.867 1.00 0.00 C ATOM 1422 NE ARG A 598 -20.836 4.177 3.368 1.00 0.00 N ATOM 1423 CZ ARG A 598 -21.224 4.304 4.635 1.00 0.00 C ATOM 1424 NH1 ARG A 598 -20.433 4.891 5.526 1.00 0.00 N ATOM 1425 NH2 ARG A 598 -22.415 3.861 5.008 1.00 0.00 N ATOM 0 H ARG A 598 -16.195 5.918 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 598 -18.368 3.925 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 598 -17.454 3.930 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 598 -17.648 5.670 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 598 -20.115 5.377 0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 598 -19.888 3.639 0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 598 -18.763 3.903 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 598 -19.284 5.577 3.237 1.00 0.00 H new ATOM 0 HE ARG A 598 -21.497 3.772 2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 598 -19.521 5.248 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 598 -20.738 4.985 6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 598 -23.033 3.423 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 598 -22.714 3.957 5.978 1.00 0.00 H new ATOM 1439 N ASP A 599 -20.079 5.832 -1.342 1.00 0.00 N ATOM 1440 CA ASP A 599 -20.957 6.913 -1.741 1.00 0.00 C ATOM 1441 C ASP A 599 -21.615 7.553 -0.536 1.00 0.00 C ATOM 1442 O ASP A 599 -22.034 6.880 0.407 1.00 0.00 O ATOM 1443 CB ASP A 599 -22.023 6.417 -2.719 1.00 0.00 C ATOM 1444 CG ASP A 599 -23.072 5.543 -2.063 1.00 0.00 C ATOM 1445 OD1 ASP A 599 -22.791 4.354 -1.803 1.00 0.00 O ATOM 1446 OD2 ASP A 599 -24.191 6.041 -1.817 1.00 0.00 O ATOM 0 H ASP A 599 -20.550 4.944 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 599 -20.347 7.665 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 599 -22.511 7.275 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 599 -21.540 5.856 -3.519 1.00 0.00 H new ATOM 1451 N THR A 600 -21.666 8.865 -0.570 1.00 0.00 N ATOM 1452 CA THR A 600 -22.277 9.649 0.482 1.00 0.00 C ATOM 1453 C THR A 600 -23.255 10.630 -0.138 1.00 0.00 C ATOM 1454 O THR A 600 -23.222 10.849 -1.351 1.00 0.00 O ATOM 1455 CB THR A 600 -21.202 10.422 1.268 1.00 0.00 C ATOM 1456 OG1 THR A 600 -20.735 11.523 0.490 1.00 0.00 O ATOM 1457 CG2 THR A 600 -20.030 9.519 1.587 1.00 0.00 C ATOM 0 H THR A 600 -21.283 9.423 -1.333 1.00 0.00 H new ATOM 0 HA THR A 600 -22.800 8.983 1.168 1.00 0.00 H new ATOM 0 HB THR A 600 -21.645 10.781 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 600 -20.143 11.195 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 600 -19.279 10.080 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 600 -20.373 8.677 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 600 -19.593 9.148 0.660 1.00 0.00 H new ATOM 1465 N PRO A 601 -24.143 11.223 0.665 1.00 0.00 N ATOM 1466 CA PRO A 601 -25.089 12.228 0.182 1.00 0.00 C ATOM 1467 C PRO A 601 -24.389 13.485 -0.343 1.00 0.00 C ATOM 1468 O PRO A 601 -25.013 14.329 -0.988 1.00 0.00 O ATOM 1469 CB PRO A 601 -25.945 12.543 1.414 1.00 0.00 C ATOM 1470 CG PRO A 601 -25.122 12.116 2.578 1.00 0.00 C ATOM 1471 CD PRO A 601 -24.320 10.944 2.099 1.00 0.00 C ATOM 0 HA PRO A 601 -25.673 11.865 -0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 601 -26.182 13.605 1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 601 -26.893 12.006 1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 601 -24.472 12.923 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 601 -25.753 11.840 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 601 -23.363 10.872 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 601 -24.844 10.003 2.265 1.00 0.00 H new ATOM 1479 N GLU A 602 -23.087 13.602 -0.079 1.00 0.00 N ATOM 1480 CA GLU A 602 -22.311 14.721 -0.594 1.00 0.00 C ATOM 1481 C GLU A 602 -21.511 14.296 -1.826 1.00 0.00 C ATOM 1482 O GLU A 602 -21.014 15.135 -2.578 1.00 0.00 O ATOM 1483 CB GLU A 602 -21.381 15.276 0.491 1.00 0.00 C ATOM 1484 CG GLU A 602 -20.179 14.402 0.792 1.00 0.00 C ATOM 1485 CD GLU A 602 -19.279 14.999 1.849 1.00 0.00 C ATOM 1486 OE1 GLU A 602 -18.376 15.782 1.491 1.00 0.00 O ATOM 1487 OE2 GLU A 602 -19.465 14.682 3.043 1.00 0.00 O ATOM 0 H GLU A 602 -22.555 12.939 0.484 1.00 0.00 H new ATOM 0 HA GLU A 602 -23.000 15.512 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 602 -21.031 16.261 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 602 -21.954 15.414 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 602 -20.521 13.421 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 602 -19.607 14.249 -0.123 1.00 0.00 H new ATOM 1494 N GLY A 603 -21.398 12.989 -2.025 1.00 0.00 N ATOM 1495 CA GLY A 603 -20.676 12.491 -3.170 1.00 0.00 C ATOM 1496 C GLY A 603 -19.790 11.311 -2.860 1.00 0.00 C ATOM 1497 O GLY A 603 -19.905 10.685 -1.808 1.00 0.00 O ATOM 0 H GLY A 603 -21.792 12.272 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 603 -21.390 12.205 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 603 -20.065 13.295 -3.581 1.00 0.00 H new ATOM 1501 N LEU A 604 -18.915 11.008 -3.794 1.00 0.00 N ATOM 1502 CA LEU A 604 -17.962 9.927 -3.640 1.00 0.00 C ATOM 1503 C LEU A 604 -16.727 10.412 -2.912 1.00 0.00 C ATOM 1504 O LEU A 604 -16.043 11.336 -3.355 1.00 0.00 O ATOM 1505 CB LEU A 604 -17.580 9.341 -4.998 1.00 0.00 C ATOM 1506 CG LEU A 604 -18.660 8.480 -5.646 1.00 0.00 C ATOM 1507 CD1 LEU A 604 -18.313 8.184 -7.096 1.00 0.00 C ATOM 1508 CD2 LEU A 604 -18.840 7.184 -4.872 1.00 0.00 C ATOM 0 H LEU A 604 -18.843 11.504 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 604 -18.432 9.141 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 604 -17.331 10.159 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 604 -16.678 8.740 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 604 -19.598 9.034 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 604 -19.096 7.569 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 604 -18.230 9.120 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 604 -17.363 7.651 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 604 -19.614 6.581 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 604 -17.901 6.630 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 604 -19.134 7.410 -3.847 1.00 0.00 H new ATOM 1520 N GLN A 605 -16.461 9.778 -1.794 1.00 0.00 N ATOM 1521 CA GLN A 605 -15.320 10.126 -0.971 1.00 0.00 C ATOM 1522 C GLN A 605 -14.643 8.840 -0.528 1.00 0.00 C ATOM 1523 O GLN A 605 -15.298 7.798 -0.416 1.00 0.00 O ATOM 1524 CB GLN A 605 -15.751 10.955 0.229 1.00 0.00 C ATOM 1525 CG GLN A 605 -16.519 10.162 1.267 1.00 0.00 C ATOM 1526 CD GLN A 605 -17.237 11.045 2.258 1.00 0.00 C ATOM 1527 OE1 GLN A 605 -17.328 10.723 3.442 1.00 0.00 O ATOM 1528 NE2 GLN A 605 -17.806 12.135 1.770 1.00 0.00 N ATOM 0 H GLN A 605 -17.024 9.010 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 605 -14.620 10.733 -1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 605 -14.868 11.390 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 605 -16.370 11.783 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 605 -17.244 9.521 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 605 -15.830 9.508 1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 605 -17.705 12.364 0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 605 -18.346 12.746 2.383 1.00 0.00 H new ATOM 1537 N TRP A 606 -13.342 8.884 -0.303 1.00 0.00 N ATOM 1538 CA TRP A 606 -12.615 7.695 0.094 1.00 0.00 C ATOM 1539 C TRP A 606 -12.660 7.570 1.606 1.00 0.00 C ATOM 1540 O TRP A 606 -12.048 8.367 2.321 1.00 0.00 O ATOM 1541 CB TRP A 606 -11.165 7.758 -0.391 1.00 0.00 C ATOM 1542 CG TRP A 606 -10.999 7.328 -1.814 1.00 0.00 C ATOM 1543 CD1 TRP A 606 -11.041 8.112 -2.929 1.00 0.00 C ATOM 1544 CD2 TRP A 606 -10.767 5.995 -2.268 1.00 0.00 C ATOM 1545 NE1 TRP A 606 -10.851 7.340 -4.052 1.00 0.00 N ATOM 1546 CE2 TRP A 606 -10.680 6.036 -3.670 1.00 0.00 C ATOM 1547 CE3 TRP A 606 -10.625 4.771 -1.619 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 -10.457 4.891 -4.434 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 -10.406 3.642 -2.374 1.00 0.00 C ATOM 1550 CH2 TRP A 606 -10.323 3.704 -3.767 1.00 0.00 C ATOM 0 H TRP A 606 -12.772 9.725 -0.388 1.00 0.00 H new ATOM 0 HA TRP A 606 -13.082 6.821 -0.360 1.00 0.00 H new ATOM 0 HB2 TRP A 606 -10.796 8.778 -0.281 1.00 0.00 H new ATOM 0 HB3 TRP A 606 -10.548 7.126 0.247 1.00 0.00 H new ATOM 0 HD1 TRP A 606 -11.200 9.180 -2.930 1.00 0.00 H new ATOM 0 HE1 TRP A 606 -10.839 7.683 -5.013 1.00 0.00 H new ATOM 0 HE3 TRP A 606 -10.686 4.709 -0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 -10.393 4.939 -5.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 -10.296 2.688 -1.880 1.00 0.00 H new ATOM 0 HH2 TRP A 606 -10.150 2.798 -4.328 1.00 0.00 H new ATOM 1561 N VAL A 607 -13.386 6.575 2.093 1.00 0.00 N ATOM 1562 CA VAL A 607 -13.562 6.400 3.523 1.00 0.00 C ATOM 1563 C VAL A 607 -12.509 5.460 4.081 1.00 0.00 C ATOM 1564 O VAL A 607 -12.313 4.353 3.584 1.00 0.00 O ATOM 1565 CB VAL A 607 -14.966 5.838 3.847 1.00 0.00 C ATOM 1566 CG1 VAL A 607 -15.183 5.755 5.350 1.00 0.00 C ATOM 1567 CG2 VAL A 607 -16.053 6.681 3.191 1.00 0.00 C ATOM 0 H VAL A 607 -13.861 5.879 1.519 1.00 0.00 H new ATOM 0 HA VAL A 607 -13.456 7.381 3.987 1.00 0.00 H new ATOM 0 HB VAL A 607 -15.027 4.829 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 607 -16.177 5.357 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 607 -14.433 5.098 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 607 -15.095 6.750 5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 607 -17.031 6.266 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 607 -15.992 7.705 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 607 -15.915 6.676 2.110 1.00 0.00 H new ATOM 1577 N GLN A 608 -11.829 5.931 5.106 1.00 0.00 N ATOM 1578 CA GLN A 608 -10.740 5.203 5.723 1.00 0.00 C ATOM 1579 C GLN A 608 -11.288 4.056 6.562 1.00 0.00 C ATOM 1580 O GLN A 608 -12.247 4.223 7.320 1.00 0.00 O ATOM 1581 CB GLN A 608 -9.912 6.147 6.587 1.00 0.00 C ATOM 1582 CG GLN A 608 -8.633 5.526 7.114 1.00 0.00 C ATOM 1583 CD GLN A 608 -7.729 6.545 7.765 1.00 0.00 C ATOM 1584 OE1 GLN A 608 -8.192 7.529 8.348 1.00 0.00 O ATOM 1585 NE2 GLN A 608 -6.433 6.334 7.650 1.00 0.00 N ATOM 0 H GLN A 608 -12.018 6.836 5.537 1.00 0.00 H new ATOM 0 HA GLN A 608 -10.100 4.788 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -9.662 7.034 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -10.518 6.480 7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -8.880 4.748 7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -8.101 5.043 6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -6.092 5.507 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -5.771 6.998 8.051 1.00 0.00 H new ATOM 1594 N LEU A 609 -10.673 2.896 6.420 1.00 0.00 N ATOM 1595 CA LEU A 609 -11.102 1.698 7.119 1.00 0.00 C ATOM 1596 C LEU A 609 -10.276 1.557 8.382 1.00 0.00 C ATOM 1597 O LEU A 609 -9.087 1.879 8.371 1.00 0.00 O ATOM 1598 CB LEU A 609 -10.868 0.469 6.236 1.00 0.00 C ATOM 1599 CG LEU A 609 -11.567 0.483 4.879 1.00 0.00 C ATOM 1600 CD1 LEU A 609 -10.954 -0.563 3.961 1.00 0.00 C ATOM 1601 CD2 LEU A 609 -13.054 0.227 5.051 1.00 0.00 C ATOM 0 H LEU A 609 -9.862 2.758 5.817 1.00 0.00 H new ATOM 0 HA LEU A 609 -12.163 1.773 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -9.796 0.363 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -11.195 -0.415 6.783 1.00 0.00 H new ATOM 0 HG LEU A 609 -11.433 1.466 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 609 -11.461 -0.543 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -9.895 -0.347 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -11.065 -1.550 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -13.541 0.240 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -13.204 -0.746 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -13.486 1.003 5.682 1.00 0.00 H new ATOM 1613 N SER A 610 -10.864 1.093 9.472 1.00 0.00 N ATOM 1614 CA SER A 610 -10.123 0.816 10.678 1.00 0.00 C ATOM 1615 C SER A 610 -9.465 -0.543 10.540 1.00 0.00 C ATOM 1616 O SER A 610 -9.804 -1.298 9.626 1.00 0.00 O ATOM 1617 CB SER A 610 -11.068 0.849 11.878 1.00 0.00 C ATOM 1618 OG SER A 610 -11.885 2.009 11.843 1.00 0.00 O ATOM 0 H SER A 610 -11.863 0.901 9.540 1.00 0.00 H new ATOM 0 HA SER A 610 -9.352 1.570 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 610 -11.695 -0.043 11.878 1.00 0.00 H new ATOM 0 HB3 SER A 610 -10.490 0.833 12.802 1.00 0.00 H new ATOM 0 HG SER A 610 -12.484 2.011 12.619 1.00 0.00 H new ATOM 1624 N ALA A 611 -8.535 -0.856 11.427 1.00 0.00 N ATOM 1625 CA ALA A 611 -7.800 -2.106 11.361 1.00 0.00 C ATOM 1626 C ALA A 611 -8.741 -3.304 11.294 1.00 0.00 C ATOM 1627 O ALA A 611 -8.431 -4.304 10.654 1.00 0.00 O ATOM 1628 CB ALA A 611 -6.868 -2.228 12.555 1.00 0.00 C ATOM 0 H ALA A 611 -8.270 -0.255 12.207 1.00 0.00 H new ATOM 0 HA ALA A 611 -7.207 -2.100 10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 611 -6.322 -3.169 12.495 1.00 0.00 H new ATOM 0 HB2 ALA A 611 -6.162 -1.398 12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 611 -7.451 -2.205 13.476 1.00 0.00 H new ATOM 1634 N GLU A 612 -9.883 -3.201 11.966 1.00 0.00 N ATOM 1635 CA GLU A 612 -10.849 -4.296 12.002 1.00 0.00 C ATOM 1636 C GLU A 612 -11.649 -4.387 10.696 1.00 0.00 C ATOM 1637 O GLU A 612 -12.141 -5.456 10.337 1.00 0.00 O ATOM 1638 CB GLU A 612 -11.804 -4.136 13.185 1.00 0.00 C ATOM 1639 CG GLU A 612 -11.124 -4.267 14.536 1.00 0.00 C ATOM 1640 CD GLU A 612 -12.103 -4.189 15.686 1.00 0.00 C ATOM 1641 OE1 GLU A 612 -12.410 -3.070 16.138 1.00 0.00 O ATOM 1642 OE2 GLU A 612 -12.573 -5.250 16.146 1.00 0.00 O ATOM 0 H GLU A 612 -10.163 -2.373 12.492 1.00 0.00 H new ATOM 0 HA GLU A 612 -10.285 -5.221 12.121 1.00 0.00 H new ATOM 0 HB2 GLU A 612 -12.286 -3.160 13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 612 -12.592 -4.886 13.110 1.00 0.00 H new ATOM 0 HG2 GLU A 612 -10.591 -5.217 14.580 1.00 0.00 H new ATOM 0 HG3 GLU A 612 -10.379 -3.478 14.643 1.00 0.00 H new ATOM 1649 N GLU A 613 -11.774 -3.270 9.984 1.00 0.00 N ATOM 1650 CA GLU A 613 -12.490 -3.250 8.711 1.00 0.00 C ATOM 1651 C GLU A 613 -11.593 -3.758 7.594 1.00 0.00 C ATOM 1652 O GLU A 613 -12.066 -4.311 6.597 1.00 0.00 O ATOM 1653 CB GLU A 613 -12.958 -1.833 8.377 1.00 0.00 C ATOM 1654 CG GLU A 613 -14.036 -1.300 9.304 1.00 0.00 C ATOM 1655 CD GLU A 613 -15.342 -2.054 9.167 1.00 0.00 C ATOM 1656 OE1 GLU A 613 -15.525 -3.067 9.869 1.00 0.00 O ATOM 1657 OE2 GLU A 613 -16.193 -1.638 8.353 1.00 0.00 O ATOM 0 H GLU A 613 -11.390 -2.368 10.266 1.00 0.00 H new ATOM 0 HA GLU A 613 -13.360 -3.900 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -12.100 -1.161 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -13.334 -1.818 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -13.689 -1.365 10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -14.205 -0.245 9.091 1.00 0.00 H new ATOM 1664 N ILE A 614 -10.296 -3.548 7.779 1.00 0.00 N ATOM 1665 CA ILE A 614 -9.276 -3.947 6.812 1.00 0.00 C ATOM 1666 C ILE A 614 -9.436 -5.399 6.324 1.00 0.00 C ATOM 1667 O ILE A 614 -9.618 -5.622 5.127 1.00 0.00 O ATOM 1668 CB ILE A 614 -7.864 -3.759 7.411 1.00 0.00 C ATOM 1669 CG1 ILE A 614 -7.528 -2.272 7.540 1.00 0.00 C ATOM 1670 CG2 ILE A 614 -6.821 -4.490 6.586 1.00 0.00 C ATOM 1671 CD1 ILE A 614 -6.147 -2.006 8.102 1.00 0.00 C ATOM 0 H ILE A 614 -9.917 -3.093 8.610 1.00 0.00 H new ATOM 0 HA ILE A 614 -9.408 -3.299 5.946 1.00 0.00 H new ATOM 0 HB ILE A 614 -7.856 -4.194 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 614 -7.607 -1.804 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 614 -8.269 -1.795 8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 614 -5.836 -4.341 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 614 -7.053 -5.555 6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 614 -6.823 -4.100 5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 614 -5.980 -0.931 8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 614 -6.069 -2.443 9.097 1.00 0.00 H new ATOM 0 HD13 ILE A 614 -5.397 -2.452 7.450 1.00 0.00 H new ATOM 1683 N PRO A 615 -9.408 -6.403 7.228 1.00 0.00 N ATOM 1684 CA PRO A 615 -9.471 -7.816 6.834 1.00 0.00 C ATOM 1685 C PRO A 615 -10.776 -8.165 6.139 1.00 0.00 C ATOM 1686 O PRO A 615 -10.812 -9.041 5.278 1.00 0.00 O ATOM 1687 CB PRO A 615 -9.349 -8.574 8.159 1.00 0.00 C ATOM 1688 CG PRO A 615 -9.747 -7.588 9.196 1.00 0.00 C ATOM 1689 CD PRO A 615 -9.298 -6.259 8.685 1.00 0.00 C ATOM 0 HA PRO A 615 -8.690 -8.068 6.117 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -9.998 -9.450 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -8.331 -8.929 8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -10.825 -7.602 9.356 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -9.280 -7.817 10.154 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.927 -5.451 9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.276 -6.035 8.991 1.00 0.00 H new ATOM 1697 N SER A 616 -11.837 -7.448 6.487 1.00 0.00 N ATOM 1698 CA SER A 616 -13.143 -7.681 5.894 1.00 0.00 C ATOM 1699 C SER A 616 -13.101 -7.322 4.412 1.00 0.00 C ATOM 1700 O SER A 616 -13.668 -8.017 3.569 1.00 0.00 O ATOM 1701 CB SER A 616 -14.198 -6.845 6.624 1.00 0.00 C ATOM 1702 OG SER A 616 -15.506 -7.116 6.148 1.00 0.00 O ATOM 0 H SER A 616 -11.816 -6.699 7.179 1.00 0.00 H new ATOM 0 HA SER A 616 -13.408 -8.734 5.991 1.00 0.00 H new ATOM 0 HB2 SER A 616 -14.150 -7.052 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 616 -13.976 -5.786 6.494 1.00 0.00 H new ATOM 0 HG SER A 616 -16.153 -6.566 6.637 1.00 0.00 H new ATOM 1708 N ARG A 617 -12.400 -6.239 4.105 1.00 0.00 N ATOM 1709 CA ARG A 617 -12.204 -5.815 2.727 1.00 0.00 C ATOM 1710 C ARG A 617 -11.233 -6.741 2.004 1.00 0.00 C ATOM 1711 O ARG A 617 -11.431 -7.072 0.833 1.00 0.00 O ATOM 1712 CB ARG A 617 -11.709 -4.372 2.676 1.00 0.00 C ATOM 1713 CG ARG A 617 -12.828 -3.344 2.625 1.00 0.00 C ATOM 1714 CD ARG A 617 -13.771 -3.460 3.813 1.00 0.00 C ATOM 1715 NE ARG A 617 -14.845 -2.477 3.738 1.00 0.00 N ATOM 1716 CZ ARG A 617 -15.592 -2.097 4.770 1.00 0.00 C ATOM 1717 NH1 ARG A 617 -15.440 -2.675 5.957 1.00 0.00 N ATOM 1718 NH2 ARG A 617 -16.494 -1.139 4.605 1.00 0.00 N ATOM 0 H ARG A 617 -11.956 -5.636 4.797 1.00 0.00 H new ATOM 0 HA ARG A 617 -13.165 -5.869 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 617 -11.089 -4.179 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 617 -11.072 -4.246 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 617 -12.398 -2.343 2.601 1.00 0.00 H new ATOM 0 HG3 ARG A 617 -13.393 -3.470 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 617 -14.196 -4.463 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 617 -13.212 -3.320 4.738 1.00 0.00 H new ATOM 0 HE ARG A 617 -15.037 -2.051 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 617 -14.748 -3.414 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 617 -16.016 -2.380 6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 617 -16.610 -0.700 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 617 -17.071 -0.841 5.391 1.00 0.00 H new ATOM 1732 N ILE A 618 -10.189 -7.158 2.714 1.00 0.00 N ATOM 1733 CA ILE A 618 -9.194 -8.069 2.162 1.00 0.00 C ATOM 1734 C ILE A 618 -9.843 -9.365 1.678 1.00 0.00 C ATOM 1735 O ILE A 618 -9.467 -9.908 0.645 1.00 0.00 O ATOM 1736 CB ILE A 618 -8.096 -8.406 3.193 1.00 0.00 C ATOM 1737 CG1 ILE A 618 -7.327 -7.144 3.591 1.00 0.00 C ATOM 1738 CG2 ILE A 618 -7.146 -9.454 2.635 1.00 0.00 C ATOM 1739 CD1 ILE A 618 -6.222 -7.395 4.596 1.00 0.00 C ATOM 0 H ILE A 618 -10.010 -6.877 3.678 1.00 0.00 H new ATOM 0 HA ILE A 618 -8.735 -7.557 1.316 1.00 0.00 H new ATOM 0 HB ILE A 618 -8.574 -8.813 4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 618 -6.897 -6.694 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 618 -8.027 -6.419 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 618 -6.378 -9.680 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 618 -7.702 -10.362 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 618 -6.676 -9.073 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 618 -5.722 -6.455 4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 618 -6.647 -7.816 5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 618 -5.500 -8.095 4.176 1.00 0.00 H new ATOM 1751 N GLN A 619 -10.828 -9.843 2.422 1.00 0.00 N ATOM 1752 CA GLN A 619 -11.520 -11.079 2.077 1.00 0.00 C ATOM 1753 C GLN A 619 -12.252 -10.966 0.746 1.00 0.00 C ATOM 1754 O GLN A 619 -12.359 -11.944 0.006 1.00 0.00 O ATOM 1755 CB GLN A 619 -12.474 -11.487 3.190 1.00 0.00 C ATOM 1756 CG GLN A 619 -11.750 -11.824 4.477 1.00 0.00 C ATOM 1757 CD GLN A 619 -10.758 -12.956 4.310 1.00 0.00 C ATOM 1758 OE1 GLN A 619 -11.098 -14.129 4.451 1.00 0.00 O ATOM 1759 NE2 GLN A 619 -9.515 -12.607 4.026 1.00 0.00 N ATOM 0 H GLN A 619 -11.169 -9.393 3.272 1.00 0.00 H new ATOM 0 HA GLN A 619 -10.766 -11.858 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 619 -13.180 -10.677 3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 619 -13.056 -12.350 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 619 -11.227 -10.938 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 619 -12.480 -12.096 5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 619 -9.274 -11.622 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 619 -8.797 -13.323 3.916 1.00 0.00 H new ATOM 1768 N ALA A 620 -12.770 -9.790 0.435 1.00 0.00 N ATOM 1769 CA ALA A 620 -13.445 -9.590 -0.837 1.00 0.00 C ATOM 1770 C ALA A 620 -12.438 -9.499 -1.980 1.00 0.00 C ATOM 1771 O ALA A 620 -12.601 -10.138 -3.017 1.00 0.00 O ATOM 1772 CB ALA A 620 -14.303 -8.336 -0.784 1.00 0.00 C ATOM 0 H ALA A 620 -12.737 -8.968 1.037 1.00 0.00 H new ATOM 0 HA ALA A 620 -14.089 -10.450 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 620 -14.803 -8.197 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 620 -15.049 -8.439 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 620 -13.672 -7.472 -0.575 1.00 0.00 H new ATOM 1778 N ILE A 621 -11.378 -8.731 -1.767 1.00 0.00 N ATOM 1779 CA ILE A 621 -10.370 -8.527 -2.802 1.00 0.00 C ATOM 1780 C ILE A 621 -9.433 -9.726 -2.910 1.00 0.00 C ATOM 1781 O ILE A 621 -8.572 -9.777 -3.790 1.00 0.00 O ATOM 1782 CB ILE A 621 -9.532 -7.256 -2.546 1.00 0.00 C ATOM 1783 CG1 ILE A 621 -8.856 -7.321 -1.176 1.00 0.00 C ATOM 1784 CG2 ILE A 621 -10.404 -6.015 -2.648 1.00 0.00 C ATOM 1785 CD1 ILE A 621 -7.955 -6.141 -0.888 1.00 0.00 C ATOM 0 H ILE A 621 -11.193 -8.241 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 621 -10.913 -8.408 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 621 -8.756 -7.199 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 621 -9.623 -7.378 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 621 -8.271 -8.238 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 621 -9.797 -5.128 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 621 -10.839 -5.957 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 621 -11.201 -6.069 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 621 -7.510 -6.256 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 621 -7.165 -6.095 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 621 -8.539 -5.221 -0.919 1.00 0.00 H new ATOM 1797 N THR A 622 -9.604 -10.692 -2.016 1.00 0.00 N ATOM 1798 CA THR A 622 -8.739 -11.858 -1.983 1.00 0.00 C ATOM 1799 C THR A 622 -9.061 -12.812 -3.139 1.00 0.00 C ATOM 1800 O THR A 622 -8.236 -13.650 -3.512 1.00 0.00 O ATOM 1801 CB THR A 622 -8.842 -12.614 -0.627 1.00 0.00 C ATOM 1802 OG1 THR A 622 -7.606 -13.282 -0.345 1.00 0.00 O ATOM 1803 CG2 THR A 622 -9.964 -13.645 -0.641 1.00 0.00 C ATOM 0 H THR A 622 -10.335 -10.688 -1.305 1.00 0.00 H new ATOM 0 HA THR A 622 -7.716 -11.500 -2.094 1.00 0.00 H new ATOM 0 HB THR A 622 -9.059 -11.874 0.143 1.00 0.00 H new ATOM 0 HG1 THR A 622 -7.677 -13.755 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 622 -10.004 -14.152 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 622 -10.915 -13.146 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 622 -9.777 -14.376 -1.428 1.00 0.00 H new ATOM 1811 N GLY A 623 -10.253 -12.664 -3.717 1.00 0.00 N ATOM 1812 CA GLY A 623 -10.678 -13.570 -4.764 1.00 0.00 C ATOM 1813 C GLY A 623 -11.525 -12.897 -5.825 1.00 0.00 C ATOM 1814 O GLY A 623 -11.024 -12.537 -6.892 1.00 0.00 O ATOM 0 H GLY A 623 -10.926 -11.936 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 623 -9.799 -14.010 -5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 623 -11.245 -14.388 -4.320 1.00 0.00 H new ATOM 1818 N SER A 624 -12.807 -12.730 -5.539 1.00 0.00 N ATOM 1819 CA SER A 624 -13.736 -12.180 -6.509 1.00 0.00 C ATOM 1820 C SER A 624 -14.466 -10.958 -5.956 1.00 0.00 C ATOM 1821 O SER A 624 -15.564 -11.126 -5.384 1.00 0.00 O ATOM 1822 CB SER A 624 -14.730 -13.267 -6.914 1.00 0.00 C ATOM 1823 OG SER A 624 -15.260 -13.922 -5.771 1.00 0.00 O ATOM 1824 OXT SER A 624 -13.940 -9.835 -6.097 1.00 0.00 O ATOM 0 H SER A 624 -13.227 -12.969 -4.640 1.00 0.00 H new ATOM 0 HA SER A 624 -13.177 -11.848 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 624 -15.541 -12.826 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 624 -14.237 -13.994 -7.559 1.00 0.00 H new ATOM 0 HG SER A 624 -15.580 -13.253 -5.130 1.00 0.00 H new TER 1830 SER A 624