USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 672 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 30 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 HIS : no HD1:sc= 0.605 K(o=0.61,f=-2.5!) USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0.0435 USER MOD Set 2.2: B 33 HIS : +bothHN:sc= 0.15 K(o=0.19,f=-5.1!) USER MOD Set 3.1: A 33 HIS : no HE2:sc= -0.866 K(o=-0.82,f=-2.1) USER MOD Set 3.2: B 29 TYR OH : rot -67:sc= 0.0417 USER MOD Set 3.3: B 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.155 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 166:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= -0.0889 (180deg=-0.337) USER MOD Single : A 39 GLN : amide:sc= 0.873 K(o=0.87,f=-0.42) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 65:sc= 0.212 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -129:sc= 0.0753 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 23:sc= 0.985 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 ASN :FLIP amide:sc= 0 F(o=-0.6!,f=0) USER MOD Single : B 36 LYS NZ :NH3+ -166:sc= -0.0552 (180deg=-0.273) USER MOD Single : B 39 GLN : amide:sc= 0.758 K(o=0.76,f=-0.19) USER MOD Single : B 42 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-3.2!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.754 -19.380 0.543 1.00 0.00 N ATOM 2 CA GLY A 1 -32.797 -18.658 1.273 1.00 0.00 C ATOM 3 C GLY A 1 -32.367 -17.214 1.346 1.00 0.00 C ATOM 4 O GLY A 1 -32.285 -16.586 0.296 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.013 -20.385 0.470 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.656 -18.978 -0.411 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.850 -19.292 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.757 -18.749 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.925 -19.073 2.273 1.00 0.00 H new ATOM 8 N SER A 2 -32.117 -16.676 2.542 1.00 0.00 N ATOM 9 CA SER A 2 -31.682 -15.292 2.670 1.00 0.00 C ATOM 10 C SER A 2 -30.245 -15.172 2.149 1.00 0.00 C ATOM 11 O SER A 2 -29.442 -16.113 2.278 1.00 0.00 O ATOM 12 CB SER A 2 -31.809 -14.825 4.123 1.00 0.00 C ATOM 13 OG SER A 2 -31.878 -13.417 4.155 1.00 0.00 O ATOM 0 H SER A 2 -32.209 -17.176 3.426 1.00 0.00 H new ATOM 0 HA SER A 2 -32.320 -14.641 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.701 -15.255 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.955 -15.172 4.705 1.00 0.00 H new ATOM 0 HG SER A 2 -31.961 -13.115 5.083 1.00 0.00 H new ATOM 19 N SER A 3 -29.936 -14.022 1.554 1.00 0.00 N ATOM 20 CA SER A 3 -28.653 -13.662 0.973 1.00 0.00 C ATOM 21 C SER A 3 -28.451 -12.153 1.100 1.00 0.00 C ATOM 22 O SER A 3 -29.373 -11.416 1.468 1.00 0.00 O ATOM 23 CB SER A 3 -28.634 -14.076 -0.509 1.00 0.00 C ATOM 24 OG SER A 3 -28.836 -15.469 -0.657 1.00 0.00 O ATOM 0 H SER A 3 -30.621 -13.272 1.461 1.00 0.00 H new ATOM 0 HA SER A 3 -27.847 -14.176 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.410 -13.534 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.680 -13.795 -0.955 1.00 0.00 H new ATOM 0 HG SER A 3 -28.821 -15.702 -1.609 1.00 0.00 H new ATOM 30 N GLY A 4 -27.241 -11.699 0.786 1.00 0.00 N ATOM 31 CA GLY A 4 -26.856 -10.304 0.827 1.00 0.00 C ATOM 32 C GLY A 4 -26.225 -9.902 -0.491 1.00 0.00 C ATOM 33 O GLY A 4 -25.896 -10.758 -1.324 1.00 0.00 O ATOM 0 H GLY A 4 -26.484 -12.315 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.729 -9.683 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.153 -10.136 1.643 1.00 0.00 H new ATOM 37 N SER A 5 -26.057 -8.600 -0.695 1.00 0.00 N ATOM 38 CA SER A 5 -25.466 -8.058 -1.903 1.00 0.00 C ATOM 39 C SER A 5 -24.990 -6.622 -1.669 1.00 0.00 C ATOM 40 O SER A 5 -25.156 -6.067 -0.578 1.00 0.00 O ATOM 41 CB SER A 5 -26.494 -8.144 -3.045 1.00 0.00 C ATOM 42 OG SER A 5 -27.670 -7.394 -2.777 1.00 0.00 O ATOM 0 H SER A 5 -26.331 -7.889 -0.017 1.00 0.00 H new ATOM 0 HA SER A 5 -24.589 -8.641 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.039 -7.782 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.762 -9.187 -3.210 1.00 0.00 H new ATOM 0 HG SER A 5 -28.291 -7.478 -3.531 1.00 0.00 H new ATOM 48 N SER A 6 -24.397 -6.031 -2.702 1.00 0.00 N ATOM 49 CA SER A 6 -23.888 -4.676 -2.738 1.00 0.00 C ATOM 50 C SER A 6 -23.668 -4.325 -4.213 1.00 0.00 C ATOM 51 O SER A 6 -24.245 -4.976 -5.095 1.00 0.00 O ATOM 52 CB SER A 6 -22.593 -4.589 -1.929 1.00 0.00 C ATOM 53 OG SER A 6 -22.344 -3.233 -1.639 1.00 0.00 O ATOM 0 H SER A 6 -24.254 -6.520 -3.586 1.00 0.00 H new ATOM 0 HA SER A 6 -24.585 -3.967 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.681 -5.165 -1.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.763 -5.015 -2.493 1.00 0.00 H new ATOM 0 HG SER A 6 -21.517 -3.156 -1.118 1.00 0.00 H new ATOM 59 N GLY A 7 -22.903 -3.267 -4.476 1.00 0.00 N ATOM 60 CA GLY A 7 -22.565 -2.811 -5.811 1.00 0.00 C ATOM 61 C GLY A 7 -21.296 -3.527 -6.270 1.00 0.00 C ATOM 62 O GLY A 7 -20.716 -4.328 -5.527 1.00 0.00 O ATOM 0 H GLY A 7 -22.493 -2.691 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.385 -3.018 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.411 -1.732 -5.813 1.00 0.00 H new ATOM 66 N PRO A 8 -20.852 -3.302 -7.515 1.00 0.00 N ATOM 67 CA PRO A 8 -19.659 -3.946 -8.043 1.00 0.00 C ATOM 68 C PRO A 8 -18.382 -3.369 -7.440 1.00 0.00 C ATOM 69 O PRO A 8 -17.448 -4.131 -7.187 1.00 0.00 O ATOM 70 CB PRO A 8 -19.724 -3.722 -9.551 1.00 0.00 C ATOM 71 CG PRO A 8 -20.504 -2.415 -9.696 1.00 0.00 C ATOM 72 CD PRO A 8 -21.441 -2.394 -8.487 1.00 0.00 C ATOM 0 HA PRO A 8 -19.631 -5.006 -7.791 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.728 -3.643 -9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -20.228 -4.546 -10.056 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.837 -1.553 -9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -21.062 -2.387 -10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -21.530 -1.387 -8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -22.445 -2.715 -8.764 1.00 0.00 H new ATOM 80 N LEU A 9 -18.333 -2.050 -7.238 1.00 0.00 N ATOM 81 CA LEU A 9 -17.235 -1.267 -6.688 1.00 0.00 C ATOM 82 C LEU A 9 -17.833 -0.077 -5.938 1.00 0.00 C ATOM 83 O LEU A 9 -18.838 0.476 -6.392 1.00 0.00 O ATOM 84 CB LEU A 9 -16.362 -0.724 -7.838 1.00 0.00 C ATOM 85 CG LEU A 9 -15.667 -1.797 -8.693 1.00 0.00 C ATOM 86 CD1 LEU A 9 -14.970 -1.173 -9.904 1.00 0.00 C ATOM 87 CD2 LEU A 9 -14.611 -2.569 -7.903 1.00 0.00 C ATOM 0 H LEU A 9 -19.129 -1.458 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.629 -1.887 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.986 -0.111 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.600 -0.068 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.455 -2.478 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.488 -1.956 -10.489 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.706 -0.659 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.219 -0.459 -9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.148 -3.315 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.849 -1.878 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.082 -3.065 -7.054 1.00 0.00 H new ATOM 99 N GLU A 10 -17.210 0.342 -4.837 1.00 0.00 N ATOM 100 CA GLU A 10 -17.628 1.476 -4.011 1.00 0.00 C ATOM 101 C GLU A 10 -16.470 2.490 -3.951 1.00 0.00 C ATOM 102 O GLU A 10 -15.343 2.180 -4.347 1.00 0.00 O ATOM 103 CB GLU A 10 -18.123 1.027 -2.621 1.00 0.00 C ATOM 104 CG GLU A 10 -19.605 0.610 -2.598 1.00 0.00 C ATOM 105 CD GLU A 10 -19.914 -0.707 -3.316 1.00 0.00 C ATOM 106 OE1 GLU A 10 -19.385 -1.758 -2.888 1.00 0.00 O ATOM 107 OE2 GLU A 10 -20.728 -0.689 -4.273 1.00 0.00 O ATOM 0 H GLU A 10 -16.370 -0.115 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.490 1.966 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.514 0.190 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.972 1.840 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.928 0.526 -1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.198 1.403 -3.053 1.00 0.00 H new ATOM 114 N ARG A 11 -16.727 3.699 -3.441 1.00 0.00 N ATOM 115 CA ARG A 11 -15.749 4.799 -3.341 1.00 0.00 C ATOM 116 C ARG A 11 -15.927 5.648 -2.074 1.00 0.00 C ATOM 117 O ARG A 11 -15.538 6.816 -2.042 1.00 0.00 O ATOM 118 CB ARG A 11 -15.873 5.649 -4.630 1.00 0.00 C ATOM 119 CG ARG A 11 -17.282 6.244 -4.849 1.00 0.00 C ATOM 120 CD ARG A 11 -17.497 6.796 -6.267 1.00 0.00 C ATOM 121 NE ARG A 11 -18.857 6.489 -6.741 1.00 0.00 N ATOM 122 CZ ARG A 11 -19.237 5.815 -7.838 1.00 0.00 C ATOM 123 NH1 ARG A 11 -18.370 5.424 -8.768 1.00 0.00 N ATOM 124 NH2 ARG A 11 -20.517 5.522 -8.004 1.00 0.00 N ATOM 0 H ARG A 11 -17.645 3.951 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.745 4.383 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.147 6.461 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.612 5.031 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.028 5.475 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.447 7.044 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.339 7.875 -6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.763 6.364 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.616 6.837 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.378 5.635 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.697 4.914 -9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.201 5.808 -7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.820 5.010 -8.833 1.00 0.00 H new ATOM 138 N GLU A 12 -16.574 5.099 -1.051 1.00 0.00 N ATOM 139 CA GLU A 12 -16.861 5.780 0.211 1.00 0.00 C ATOM 140 C GLU A 12 -15.669 5.756 1.185 1.00 0.00 C ATOM 141 O GLU A 12 -14.582 5.271 0.854 1.00 0.00 O ATOM 142 CB GLU A 12 -18.134 5.155 0.813 1.00 0.00 C ATOM 143 CG GLU A 12 -19.310 5.196 -0.187 1.00 0.00 C ATOM 144 CD GLU A 12 -20.624 4.628 0.348 1.00 0.00 C ATOM 145 OE1 GLU A 12 -20.706 4.189 1.521 1.00 0.00 O ATOM 146 OE2 GLU A 12 -21.589 4.555 -0.444 1.00 0.00 O ATOM 0 H GLU A 12 -16.924 4.141 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.033 6.839 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -17.934 4.122 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.409 5.690 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.474 6.230 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.028 4.641 -1.082 1.00 0.00 H new ATOM 153 N GLY A 13 -15.859 6.305 2.389 1.00 0.00 N ATOM 154 CA GLY A 13 -14.854 6.365 3.444 1.00 0.00 C ATOM 155 C GLY A 13 -14.511 4.941 3.870 1.00 0.00 C ATOM 156 O GLY A 13 -15.406 4.180 4.241 1.00 0.00 O ATOM 0 H GLY A 13 -16.745 6.732 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.961 6.879 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.231 6.934 4.294 1.00 0.00 H new ATOM 160 N LEU A 14 -13.232 4.578 3.778 1.00 0.00 N ATOM 161 CA LEU A 14 -12.739 3.250 4.122 1.00 0.00 C ATOM 162 C LEU A 14 -12.920 2.887 5.595 1.00 0.00 C ATOM 163 O LEU A 14 -12.978 3.777 6.445 1.00 0.00 O ATOM 164 CB LEU A 14 -11.237 3.178 3.807 1.00 0.00 C ATOM 165 CG LEU A 14 -10.924 3.057 2.313 1.00 0.00 C ATOM 166 CD1 LEU A 14 -9.414 3.136 2.155 1.00 0.00 C ATOM 167 CD2 LEU A 14 -11.376 1.724 1.717 1.00 0.00 C ATOM 0 H LEU A 14 -12.499 5.211 3.457 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.325 2.545 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.750 4.070 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.806 2.324 4.329 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.455 3.855 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.154 3.053 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.057 4.090 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.947 2.322 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.127 1.697 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.870 0.906 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.454 1.617 1.840 1.00 0.00 H new ATOM 179 N PRO A 15 -12.935 1.579 5.908 1.00 0.00 N ATOM 180 CA PRO A 15 -13.071 1.096 7.272 1.00 0.00 C ATOM 181 C PRO A 15 -11.784 1.345 8.073 1.00 0.00 C ATOM 182 O PRO A 15 -10.713 1.538 7.484 1.00 0.00 O ATOM 183 CB PRO A 15 -13.377 -0.395 7.149 1.00 0.00 C ATOM 184 CG PRO A 15 -12.731 -0.777 5.824 1.00 0.00 C ATOM 185 CD PRO A 15 -12.882 0.465 4.972 1.00 0.00 C ATOM 0 HA PRO A 15 -13.862 1.618 7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.957 -0.962 7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -14.450 -0.586 7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.683 -1.047 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.227 -1.635 5.371 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.044 0.572 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.788 0.418 4.367 1.00 0.00 H new ATOM 193 N PRO A 16 -11.852 1.278 9.413 1.00 0.00 N ATOM 194 CA PRO A 16 -10.697 1.502 10.262 1.00 0.00 C ATOM 195 C PRO A 16 -9.732 0.345 10.057 1.00 0.00 C ATOM 196 O PRO A 16 -10.114 -0.815 10.236 1.00 0.00 O ATOM 197 CB PRO A 16 -11.225 1.600 11.694 1.00 0.00 C ATOM 198 CG PRO A 16 -12.551 0.845 11.647 1.00 0.00 C ATOM 199 CD PRO A 16 -13.040 1.037 10.215 1.00 0.00 C ATOM 0 HA PRO A 16 -10.152 2.417 10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.534 1.150 12.407 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.366 2.637 11.998 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.417 -0.210 11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.263 1.246 12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.575 0.154 9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.732 1.876 10.149 1.00 0.00 H new ATOM 207 N GLY A 17 -8.492 0.643 9.684 1.00 0.00 N ATOM 208 CA GLY A 17 -7.450 -0.347 9.442 1.00 0.00 C ATOM 209 C GLY A 17 -7.047 -0.411 7.973 1.00 0.00 C ATOM 210 O GLY A 17 -5.989 -0.963 7.678 1.00 0.00 O ATOM 0 H GLY A 17 -8.177 1.602 9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.576 -0.107 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.801 -1.328 9.764 1.00 0.00 H new ATOM 214 N TRP A 18 -7.872 0.114 7.064 1.00 0.00 N ATOM 215 CA TRP A 18 -7.594 0.157 5.634 1.00 0.00 C ATOM 216 C TRP A 18 -7.113 1.564 5.300 1.00 0.00 C ATOM 217 O TRP A 18 -7.330 2.498 6.077 1.00 0.00 O ATOM 218 CB TRP A 18 -8.863 -0.160 4.837 1.00 0.00 C ATOM 219 CG TRP A 18 -9.068 -1.613 4.588 1.00 0.00 C ATOM 220 CD1 TRP A 18 -9.659 -2.483 5.433 1.00 0.00 C ATOM 221 CD2 TRP A 18 -8.687 -2.378 3.407 1.00 0.00 C ATOM 222 NE1 TRP A 18 -9.654 -3.737 4.859 1.00 0.00 N ATOM 223 CE2 TRP A 18 -9.062 -3.734 3.613 1.00 0.00 C ATOM 224 CE3 TRP A 18 -8.096 -2.050 2.166 1.00 0.00 C ATOM 225 CZ2 TRP A 18 -8.847 -4.720 2.637 1.00 0.00 C ATOM 226 CZ3 TRP A 18 -7.903 -3.019 1.164 1.00 0.00 C ATOM 227 CH2 TRP A 18 -8.290 -4.353 1.399 1.00 0.00 C ATOM 0 H TRP A 18 -8.770 0.529 7.311 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.837 -0.582 5.374 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.726 0.232 5.375 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.820 0.361 3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.069 -2.237 6.401 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -10.042 -4.569 5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -7.785 -1.032 1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.107 -5.749 2.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -7.460 -2.741 0.219 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.159 -5.096 0.626 1.00 0.00 H new ATOM 238 N GLU A 19 -6.499 1.733 4.126 1.00 0.00 N ATOM 239 CA GLU A 19 -6.015 3.039 3.705 1.00 0.00 C ATOM 240 C GLU A 19 -6.186 3.251 2.205 1.00 0.00 C ATOM 241 O GLU A 19 -6.159 2.295 1.422 1.00 0.00 O ATOM 242 CB GLU A 19 -4.534 3.171 4.095 1.00 0.00 C ATOM 243 CG GLU A 19 -4.002 4.611 4.058 1.00 0.00 C ATOM 244 CD GLU A 19 -4.915 5.593 4.805 1.00 0.00 C ATOM 245 OE1 GLU A 19 -5.854 6.122 4.166 1.00 0.00 O ATOM 246 OE2 GLU A 19 -4.763 5.757 6.036 1.00 0.00 O ATOM 0 H GLU A 19 -6.328 0.982 3.457 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.606 3.805 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.397 2.770 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.936 2.557 3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.006 4.638 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.900 4.931 3.021 1.00 0.00 H new ATOM 253 N ARG A 20 -6.350 4.512 1.803 1.00 0.00 N ATOM 254 CA ARG A 20 -6.505 4.940 0.421 1.00 0.00 C ATOM 255 C ARG A 20 -5.250 5.740 0.102 1.00 0.00 C ATOM 256 O ARG A 20 -4.959 6.727 0.772 1.00 0.00 O ATOM 257 CB ARG A 20 -7.786 5.792 0.263 1.00 0.00 C ATOM 258 CG ARG A 20 -8.025 6.311 -1.165 1.00 0.00 C ATOM 259 CD ARG A 20 -9.325 7.104 -1.260 1.00 0.00 C ATOM 260 NE ARG A 20 -9.436 7.889 -2.492 1.00 0.00 N ATOM 261 CZ ARG A 20 -8.936 9.119 -2.680 1.00 0.00 C ATOM 262 NH1 ARG A 20 -8.294 9.780 -1.723 1.00 0.00 N ATOM 263 NH2 ARG A 20 -9.080 9.704 -3.856 1.00 0.00 N ATOM 0 H ARG A 20 -6.379 5.291 2.461 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.615 4.100 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.646 5.196 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.729 6.643 0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.190 6.942 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.059 5.470 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.168 6.415 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.398 7.774 -0.403 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.936 7.464 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.167 9.353 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.928 10.714 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.568 9.220 -4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.704 10.639 -4.010 1.00 0.00 H new ATOM 277 N VAL A 21 -4.511 5.301 -0.904 1.00 0.00 N ATOM 278 CA VAL A 21 -3.294 5.957 -1.374 1.00 0.00 C ATOM 279 C VAL A 21 -3.632 6.653 -2.696 1.00 0.00 C ATOM 280 O VAL A 21 -4.432 6.115 -3.468 1.00 0.00 O ATOM 281 CB VAL A 21 -2.195 4.890 -1.519 1.00 0.00 C ATOM 282 CG1 VAL A 21 -0.950 5.364 -2.281 1.00 0.00 C ATOM 283 CG2 VAL A 21 -1.767 4.445 -0.120 1.00 0.00 C ATOM 0 H VAL A 21 -4.743 4.459 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.922 6.710 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.625 4.078 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.226 4.551 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.234 5.667 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.504 6.211 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.987 3.688 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.383 5.302 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.625 4.027 0.407 1.00 0.00 H new ATOM 293 N GLU A 22 -3.011 7.802 -2.974 1.00 0.00 N ATOM 294 CA GLU A 22 -3.189 8.603 -4.182 1.00 0.00 C ATOM 295 C GLU A 22 -1.786 8.944 -4.702 1.00 0.00 C ATOM 296 O GLU A 22 -1.041 9.689 -4.064 1.00 0.00 O ATOM 297 CB GLU A 22 -4.087 9.827 -3.909 1.00 0.00 C ATOM 298 CG GLU A 22 -3.569 10.807 -2.838 1.00 0.00 C ATOM 299 CD GLU A 22 -4.589 11.900 -2.532 1.00 0.00 C ATOM 300 OE1 GLU A 22 -4.891 12.723 -3.428 1.00 0.00 O ATOM 301 OE2 GLU A 22 -5.105 11.939 -1.392 1.00 0.00 O ATOM 0 H GLU A 22 -2.338 8.217 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.720 8.056 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.219 10.374 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.072 9.472 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.338 10.259 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.640 11.262 -3.180 1.00 0.00 H new ATOM 308 N SER A 23 -1.403 8.391 -5.848 1.00 0.00 N ATOM 309 CA SER A 23 -0.096 8.566 -6.478 1.00 0.00 C ATOM 310 C SER A 23 -0.233 8.974 -7.942 1.00 0.00 C ATOM 311 O SER A 23 -1.339 8.977 -8.492 1.00 0.00 O ATOM 312 CB SER A 23 0.671 7.239 -6.384 1.00 0.00 C ATOM 313 OG SER A 23 0.503 6.613 -5.128 1.00 0.00 O ATOM 0 H SER A 23 -2.020 7.783 -6.387 1.00 0.00 H new ATOM 0 HA SER A 23 0.441 9.360 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.329 6.567 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.731 7.421 -6.558 1.00 0.00 H new ATOM 0 HG SER A 23 1.006 5.772 -5.112 1.00 0.00 H new ATOM 319 N SER A 24 0.895 9.268 -8.587 1.00 0.00 N ATOM 320 CA SER A 24 0.942 9.668 -9.988 1.00 0.00 C ATOM 321 C SER A 24 1.497 8.564 -10.885 1.00 0.00 C ATOM 322 O SER A 24 1.224 8.574 -12.082 1.00 0.00 O ATOM 323 CB SER A 24 1.843 10.897 -10.132 1.00 0.00 C ATOM 324 OG SER A 24 1.477 11.919 -9.220 1.00 0.00 O ATOM 0 H SER A 24 1.813 9.234 -8.143 1.00 0.00 H new ATOM 0 HA SER A 24 -0.080 9.884 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.881 10.611 -9.962 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.780 11.278 -11.151 1.00 0.00 H new ATOM 0 HG SER A 24 2.072 12.689 -9.336 1.00 0.00 H new ATOM 330 N GLU A 25 2.262 7.615 -10.337 1.00 0.00 N ATOM 331 CA GLU A 25 2.849 6.541 -11.136 1.00 0.00 C ATOM 332 C GLU A 25 1.880 5.367 -11.287 1.00 0.00 C ATOM 333 O GLU A 25 2.113 4.480 -12.105 1.00 0.00 O ATOM 334 CB GLU A 25 4.138 6.037 -10.452 1.00 0.00 C ATOM 335 CG GLU A 25 5.196 5.496 -11.423 1.00 0.00 C ATOM 336 CD GLU A 25 5.835 6.586 -12.285 1.00 0.00 C ATOM 337 OE1 GLU A 25 5.809 7.779 -11.897 1.00 0.00 O ATOM 338 OE2 GLU A 25 6.378 6.252 -13.364 1.00 0.00 O ATOM 0 H GLU A 25 2.488 7.571 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 25 3.071 6.940 -12.126 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.573 6.854 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.876 5.251 -9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.975 4.987 -10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.737 4.751 -12.072 1.00 0.00 H new ATOM 345 N PHE A 26 0.804 5.349 -10.493 1.00 0.00 N ATOM 346 CA PHE A 26 -0.192 4.292 -10.492 1.00 0.00 C ATOM 347 C PHE A 26 -1.582 4.900 -10.481 1.00 0.00 C ATOM 348 O PHE A 26 -2.317 4.716 -11.455 1.00 0.00 O ATOM 349 CB PHE A 26 0.043 3.348 -9.304 1.00 0.00 C ATOM 350 CG PHE A 26 1.504 3.031 -9.061 1.00 0.00 C ATOM 351 CD1 PHE A 26 2.192 2.156 -9.922 1.00 0.00 C ATOM 352 CD2 PHE A 26 2.200 3.703 -8.039 1.00 0.00 C ATOM 353 CE1 PHE A 26 3.569 1.945 -9.754 1.00 0.00 C ATOM 354 CE2 PHE A 26 3.581 3.509 -7.896 1.00 0.00 C ATOM 355 CZ PHE A 26 4.264 2.624 -8.742 1.00 0.00 C ATOM 0 H PHE A 26 0.604 6.090 -9.821 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.102 3.695 -11.399 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.377 3.798 -8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.498 2.418 -9.477 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.660 1.647 -10.712 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.673 4.365 -7.368 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.094 1.260 -10.404 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.122 4.044 -7.130 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.325 2.465 -8.615 1.00 0.00 H new ATOM 365 N GLY A 27 -1.941 5.631 -9.421 1.00 0.00 N ATOM 366 CA GLY A 27 -3.244 6.264 -9.305 1.00 0.00 C ATOM 367 C GLY A 27 -3.844 6.120 -7.911 1.00 0.00 C ATOM 368 O GLY A 27 -3.321 6.719 -6.977 1.00 0.00 O ATOM 0 H GLY A 27 -1.330 5.796 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.153 7.322 -9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.923 5.825 -10.036 1.00 0.00 H new ATOM 372 N THR A 28 -4.896 5.317 -7.745 1.00 0.00 N ATOM 373 CA THR A 28 -5.570 5.108 -6.459 1.00 0.00 C ATOM 374 C THR A 28 -5.749 3.602 -6.220 1.00 0.00 C ATOM 375 O THR A 28 -6.444 2.925 -6.983 1.00 0.00 O ATOM 376 CB THR A 28 -6.905 5.900 -6.424 1.00 0.00 C ATOM 377 OG1 THR A 28 -6.693 7.257 -6.757 1.00 0.00 O ATOM 378 CG2 THR A 28 -7.661 5.958 -5.082 1.00 0.00 C ATOM 0 H THR A 28 -5.311 4.785 -8.510 1.00 0.00 H new ATOM 0 HA THR A 28 -4.963 5.493 -5.639 1.00 0.00 H new ATOM 0 HB THR A 28 -7.508 5.334 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.547 7.738 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.573 6.542 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.917 4.947 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.028 6.426 -4.328 1.00 0.00 H new ATOM 386 N TYR A 29 -5.039 3.055 -5.226 1.00 0.00 N ATOM 387 CA TYR A 29 -5.095 1.648 -4.813 1.00 0.00 C ATOM 388 C TYR A 29 -5.193 1.600 -3.287 1.00 0.00 C ATOM 389 O TYR A 29 -4.650 2.463 -2.587 1.00 0.00 O ATOM 390 CB TYR A 29 -3.924 0.820 -5.349 1.00 0.00 C ATOM 391 CG TYR A 29 -2.569 1.157 -4.755 1.00 0.00 C ATOM 392 CD1 TYR A 29 -2.152 0.536 -3.564 1.00 0.00 C ATOM 393 CD2 TYR A 29 -1.743 2.117 -5.365 1.00 0.00 C ATOM 394 CE1 TYR A 29 -0.931 0.899 -2.975 1.00 0.00 C ATOM 395 CE2 TYR A 29 -0.513 2.476 -4.781 1.00 0.00 C ATOM 396 CZ TYR A 29 -0.106 1.871 -3.574 1.00 0.00 C ATOM 397 OH TYR A 29 1.059 2.222 -2.970 1.00 0.00 O ATOM 0 H TYR A 29 -4.385 3.601 -4.666 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.979 1.185 -5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.131 -0.234 -5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.872 0.951 -6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.771 -0.220 -3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.054 2.583 -6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.621 0.429 -2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.117 3.213 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 29 1.617 2.723 -3.601 1.00 0.00 H new ATOM 407 N TYR A 30 -5.907 0.616 -2.760 1.00 0.00 N ATOM 408 CA TYR A 30 -6.148 0.434 -1.340 1.00 0.00 C ATOM 409 C TYR A 30 -5.223 -0.623 -0.756 1.00 0.00 C ATOM 410 O TYR A 30 -4.965 -1.622 -1.427 1.00 0.00 O ATOM 411 CB TYR A 30 -7.608 0.000 -1.165 1.00 0.00 C ATOM 412 CG TYR A 30 -8.612 0.857 -1.915 1.00 0.00 C ATOM 413 CD1 TYR A 30 -8.843 2.178 -1.503 1.00 0.00 C ATOM 414 CD2 TYR A 30 -9.299 0.345 -3.031 1.00 0.00 C ATOM 415 CE1 TYR A 30 -9.820 2.960 -2.138 1.00 0.00 C ATOM 416 CE2 TYR A 30 -10.264 1.128 -3.691 1.00 0.00 C ATOM 417 CZ TYR A 30 -10.545 2.431 -3.227 1.00 0.00 C ATOM 418 OH TYR A 30 -11.506 3.168 -3.842 1.00 0.00 O ATOM 0 H TYR A 30 -6.350 -0.103 -3.332 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.953 1.368 -0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.710 -1.033 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -7.855 0.018 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.265 2.596 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.085 -0.653 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.017 3.965 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.788 0.733 -4.549 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.901 2.647 -4.572 1.00 0.00 H new ATOM 428 N VAL A 31 -4.823 -0.457 0.505 1.00 0.00 N ATOM 429 CA VAL A 31 -3.943 -1.387 1.223 1.00 0.00 C ATOM 430 C VAL A 31 -4.646 -1.916 2.480 1.00 0.00 C ATOM 431 O VAL A 31 -5.327 -1.166 3.181 1.00 0.00 O ATOM 432 CB VAL A 31 -2.582 -0.715 1.524 1.00 0.00 C ATOM 433 CG1 VAL A 31 -1.638 -1.575 2.385 1.00 0.00 C ATOM 434 CG2 VAL A 31 -1.835 -0.407 0.219 1.00 0.00 C ATOM 0 H VAL A 31 -5.106 0.344 1.070 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.730 -2.252 0.595 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.833 0.189 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.706 -1.036 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.112 -1.787 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.428 -2.512 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.880 0.065 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.659 -1.334 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.435 0.267 -0.393 1.00 0.00 H new ATOM 444 N ASP A 32 -4.483 -3.222 2.728 1.00 0.00 N ATOM 445 CA ASP A 32 -5.028 -3.981 3.857 1.00 0.00 C ATOM 446 C ASP A 32 -3.901 -4.268 4.813 1.00 0.00 C ATOM 447 O ASP A 32 -3.008 -5.044 4.485 1.00 0.00 O ATOM 448 CB ASP A 32 -5.575 -5.347 3.403 1.00 0.00 C ATOM 449 CG ASP A 32 -6.161 -6.142 4.579 1.00 0.00 C ATOM 450 OD1 ASP A 32 -7.154 -5.705 5.202 1.00 0.00 O ATOM 451 OD2 ASP A 32 -5.610 -7.215 4.901 1.00 0.00 O ATOM 0 H ASP A 32 -3.932 -3.812 2.105 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.829 -3.395 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.344 -5.198 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.776 -5.923 2.937 1.00 0.00 H new ATOM 456 N HIS A 33 -3.918 -3.641 5.978 1.00 0.00 N ATOM 457 CA HIS A 33 -2.886 -3.833 6.977 1.00 0.00 C ATOM 458 C HIS A 33 -3.017 -5.169 7.726 1.00 0.00 C ATOM 459 O HIS A 33 -2.023 -5.638 8.283 1.00 0.00 O ATOM 460 CB HIS A 33 -2.863 -2.596 7.872 1.00 0.00 C ATOM 461 CG HIS A 33 -2.137 -1.409 7.274 1.00 0.00 C ATOM 462 ND1 HIS A 33 -0.752 -1.209 7.308 1.00 0.00 N ATOM 463 CD2 HIS A 33 -2.727 -0.296 6.745 1.00 0.00 C ATOM 464 CE1 HIS A 33 -0.566 0.058 6.906 1.00 0.00 C ATOM 465 NE2 HIS A 33 -1.719 0.599 6.489 1.00 0.00 N ATOM 0 H HIS A 33 -4.649 -2.985 6.255 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.911 -3.925 6.498 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.889 -2.305 8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.391 -2.856 8.820 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.036 -1.883 7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.782 -0.149 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.384 0.572 6.917 1.00 0.00 H new ATOM 473 N THR A 34 -4.168 -5.852 7.711 1.00 0.00 N ATOM 474 CA THR A 34 -4.332 -7.142 8.393 1.00 0.00 C ATOM 475 C THR A 34 -3.574 -8.268 7.674 1.00 0.00 C ATOM 476 O THR A 34 -3.110 -9.215 8.316 1.00 0.00 O ATOM 477 CB THR A 34 -5.833 -7.504 8.440 1.00 0.00 C ATOM 478 OG1 THR A 34 -6.543 -6.546 9.192 1.00 0.00 O ATOM 479 CG2 THR A 34 -6.154 -8.865 9.072 1.00 0.00 C ATOM 0 H THR A 34 -5.007 -5.529 7.229 1.00 0.00 H new ATOM 0 HA THR A 34 -3.923 -7.043 9.399 1.00 0.00 H new ATOM 0 HB THR A 34 -6.130 -7.535 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.493 -6.785 9.213 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.232 -9.027 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.661 -9.655 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.798 -8.881 10.102 1.00 0.00 H new ATOM 487 N ASN A 35 -3.398 -8.166 6.356 1.00 0.00 N ATOM 488 CA ASN A 35 -2.752 -9.180 5.525 1.00 0.00 C ATOM 489 C ASN A 35 -1.616 -8.616 4.700 1.00 0.00 C ATOM 490 O ASN A 35 -0.888 -9.384 4.074 1.00 0.00 O ATOM 491 CB ASN A 35 -3.777 -9.809 4.567 1.00 0.00 C ATOM 492 CG ASN A 35 -4.875 -10.569 5.285 1.00 0.00 C ATOM 493 OD1 ASN A 35 -4.700 -11.737 5.621 1.00 0.00 O ATOM 494 ND2 ASN A 35 -6.018 -9.933 5.480 1.00 0.00 N ATOM 0 H ASN A 35 -3.710 -7.354 5.824 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.345 -9.927 6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.225 -9.024 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.261 -10.485 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.799 -10.414 5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.118 -8.962 5.184 1.00 0.00 H new ATOM 501 N LYS A 36 -1.453 -7.296 4.703 1.00 0.00 N ATOM 502 CA LYS A 36 -0.431 -6.551 3.990 1.00 0.00 C ATOM 503 C LYS A 36 -0.552 -6.840 2.508 1.00 0.00 C ATOM 504 O LYS A 36 0.370 -7.387 1.894 1.00 0.00 O ATOM 505 CB LYS A 36 0.924 -6.813 4.655 1.00 0.00 C ATOM 506 CG LYS A 36 0.820 -6.447 6.149 1.00 0.00 C ATOM 507 CD LYS A 36 1.824 -5.410 6.593 1.00 0.00 C ATOM 508 CE LYS A 36 3.274 -5.919 6.530 1.00 0.00 C ATOM 509 NZ LYS A 36 3.455 -7.219 7.216 1.00 0.00 N ATOM 0 H LYS A 36 -2.071 -6.685 5.237 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.555 -5.470 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.205 -7.860 4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.702 -6.220 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.185 -6.078 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.956 -7.349 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.727 -4.525 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.595 -5.103 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.575 -6.019 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.934 -5.179 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.470 -7.425 7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.025 -7.175 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.997 -7.971 6.662 1.00 0.00 H new ATOM 523 N ARG A 37 -1.724 -6.511 1.952 1.00 0.00 N ATOM 524 CA ARG A 37 -2.057 -6.708 0.542 1.00 0.00 C ATOM 525 C ARG A 37 -2.482 -5.377 -0.056 1.00 0.00 C ATOM 526 O ARG A 37 -2.641 -4.402 0.684 1.00 0.00 O ATOM 527 CB ARG A 37 -3.156 -7.777 0.396 1.00 0.00 C ATOM 528 CG ARG A 37 -2.819 -9.116 1.064 1.00 0.00 C ATOM 529 CD ARG A 37 -1.685 -9.877 0.365 1.00 0.00 C ATOM 530 NE ARG A 37 -2.219 -10.816 -0.629 1.00 0.00 N ATOM 531 CZ ARG A 37 -2.819 -11.981 -0.355 1.00 0.00 C ATOM 532 NH1 ARG A 37 -2.811 -12.500 0.870 1.00 0.00 N ATOM 533 NH2 ARG A 37 -3.462 -12.620 -1.323 1.00 0.00 N ATOM 0 H ARG A 37 -2.484 -6.090 2.486 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.184 -7.069 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.082 -7.392 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.343 -7.949 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.540 -8.936 2.102 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.712 -9.741 1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.013 -9.170 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.096 -10.420 1.104 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.125 -10.559 -1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.339 -12.008 1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.276 -13.390 1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.495 -12.223 -2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.924 -13.509 -1.129 1.00 0.00 H new ATOM 547 N ALA A 38 -2.605 -5.304 -1.380 1.00 0.00 N ATOM 548 CA ALA A 38 -3.015 -4.107 -2.102 1.00 0.00 C ATOM 549 C ALA A 38 -4.086 -4.511 -3.123 1.00 0.00 C ATOM 550 O ALA A 38 -4.018 -5.607 -3.687 1.00 0.00 O ATOM 551 CB ALA A 38 -1.828 -3.461 -2.814 1.00 0.00 C ATOM 0 H ALA A 38 -2.417 -6.097 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.413 -3.375 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.163 -2.570 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.071 -3.183 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.402 -4.168 -3.526 1.00 0.00 H new ATOM 557 N GLN A 39 -5.045 -3.637 -3.430 1.00 0.00 N ATOM 558 CA GLN A 39 -6.103 -3.910 -4.399 1.00 0.00 C ATOM 559 C GLN A 39 -6.651 -2.613 -4.990 1.00 0.00 C ATOM 560 O GLN A 39 -6.432 -1.528 -4.460 1.00 0.00 O ATOM 561 CB GLN A 39 -7.209 -4.769 -3.768 1.00 0.00 C ATOM 562 CG GLN A 39 -7.953 -4.099 -2.603 1.00 0.00 C ATOM 563 CD GLN A 39 -8.911 -5.081 -1.929 1.00 0.00 C ATOM 564 OE1 GLN A 39 -8.559 -6.231 -1.664 1.00 0.00 O ATOM 565 NE2 GLN A 39 -10.134 -4.680 -1.654 1.00 0.00 N ATOM 0 H GLN A 39 -5.108 -2.711 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.678 -4.482 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.932 -5.032 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.769 -5.701 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.234 -3.728 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.509 -3.236 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.420 -3.726 -1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.796 -5.323 -1.219 1.00 0.00 H new ATOM 574 N TYR A 40 -7.437 -2.731 -6.059 1.00 0.00 N ATOM 575 CA TYR A 40 -8.033 -1.598 -6.766 1.00 0.00 C ATOM 576 C TYR A 40 -9.547 -1.480 -6.538 1.00 0.00 C ATOM 577 O TYR A 40 -10.218 -0.750 -7.269 1.00 0.00 O ATOM 578 CB TYR A 40 -7.713 -1.741 -8.261 1.00 0.00 C ATOM 579 CG TYR A 40 -6.238 -1.893 -8.588 1.00 0.00 C ATOM 580 CD1 TYR A 40 -5.405 -0.759 -8.571 1.00 0.00 C ATOM 581 CD2 TYR A 40 -5.698 -3.157 -8.912 1.00 0.00 C ATOM 582 CE1 TYR A 40 -4.042 -0.885 -8.880 1.00 0.00 C ATOM 583 CE2 TYR A 40 -4.328 -3.292 -9.209 1.00 0.00 C ATOM 584 CZ TYR A 40 -3.496 -2.151 -9.191 1.00 0.00 C ATOM 585 OH TYR A 40 -2.170 -2.254 -9.468 1.00 0.00 O ATOM 0 H TYR A 40 -7.682 -3.634 -6.466 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.603 -0.679 -6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.248 -2.607 -8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.098 -0.866 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.815 0.208 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.340 -4.026 -8.932 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.408 -0.011 -8.880 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.917 -4.261 -9.449 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.948 -3.189 -9.661 1.00 0.00 H new ATOM 595 N ARG A 41 -10.124 -2.228 -5.592 1.00 0.00 N ATOM 596 CA ARG A 41 -11.558 -2.218 -5.291 1.00 0.00 C ATOM 597 C ARG A 41 -11.786 -1.967 -3.812 1.00 0.00 C ATOM 598 O ARG A 41 -10.923 -2.309 -3.001 1.00 0.00 O ATOM 599 CB ARG A 41 -12.237 -3.533 -5.716 1.00 0.00 C ATOM 600 CG ARG A 41 -11.561 -4.814 -5.203 1.00 0.00 C ATOM 601 CD ARG A 41 -10.577 -5.352 -6.239 1.00 0.00 C ATOM 602 NE ARG A 41 -9.879 -6.539 -5.744 1.00 0.00 N ATOM 603 CZ ARG A 41 -8.955 -7.222 -6.416 1.00 0.00 C ATOM 604 NH1 ARG A 41 -8.534 -6.770 -7.591 1.00 0.00 N ATOM 605 NH2 ARG A 41 -8.452 -8.332 -5.899 1.00 0.00 N ATOM 0 H ARG A 41 -9.595 -2.871 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.009 -1.409 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.269 -3.520 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.271 -3.570 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.038 -4.607 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.317 -5.568 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.111 -5.598 -7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.851 -4.579 -6.490 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.120 -6.869 -4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.918 -5.905 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.826 -7.287 -8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.773 -8.661 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.744 -8.858 -6.411 1.00 0.00 H new ATOM 619 N HIS A 42 -12.941 -1.400 -3.484 1.00 0.00 N ATOM 620 CA HIS A 42 -13.312 -1.091 -2.116 1.00 0.00 C ATOM 621 C HIS A 42 -13.329 -2.374 -1.276 1.00 0.00 C ATOM 622 O HIS A 42 -13.832 -3.395 -1.749 1.00 0.00 O ATOM 623 CB HIS A 42 -14.679 -0.395 -2.080 1.00 0.00 C ATOM 624 CG HIS A 42 -14.701 0.766 -1.122 1.00 0.00 C ATOM 625 ND1 HIS A 42 -15.341 0.787 0.117 1.00 0.00 N ATOM 626 CD2 HIS A 42 -14.065 1.957 -1.322 1.00 0.00 C ATOM 627 CE1 HIS A 42 -15.073 1.997 0.639 1.00 0.00 C ATOM 628 NE2 HIS A 42 -14.321 2.718 -0.206 1.00 0.00 N ATOM 0 H HIS A 42 -13.650 -1.141 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.574 -0.410 -1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.932 -0.043 -3.080 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -15.444 -1.116 -1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.479 2.244 -2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -15.415 2.340 1.604 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -13.994 3.671 -0.047 1.00 0.00 H new ATOM 636 N PRO A 43 -12.791 -2.352 -0.050 1.00 0.00 N ATOM 637 CA PRO A 43 -12.761 -3.507 0.828 1.00 0.00 C ATOM 638 C PRO A 43 -14.141 -3.757 1.433 1.00 0.00 C ATOM 639 O PRO A 43 -14.481 -3.195 2.478 1.00 0.00 O ATOM 640 CB PRO A 43 -11.715 -3.153 1.874 1.00 0.00 C ATOM 641 CG PRO A 43 -11.820 -1.645 2.009 1.00 0.00 C ATOM 642 CD PRO A 43 -12.165 -1.208 0.591 1.00 0.00 C ATOM 0 HA PRO A 43 -12.507 -4.435 0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.915 -3.653 2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.717 -3.456 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.592 -1.355 2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.885 -1.203 2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.839 -0.352 0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.270 -0.902 0.050 1.00 0.00 H new ATOM 650 N SER A 44 -14.935 -4.592 0.774 1.00 0.00 N ATOM 651 CA SER A 44 -16.271 -4.942 1.209 1.00 0.00 C ATOM 652 C SER A 44 -16.530 -6.412 0.896 1.00 0.00 C ATOM 653 O SER A 44 -16.141 -6.891 -0.173 1.00 0.00 O ATOM 654 CB SER A 44 -17.267 -4.020 0.508 1.00 0.00 C ATOM 655 OG SER A 44 -17.019 -2.664 0.838 1.00 0.00 O ATOM 0 H SER A 44 -14.658 -5.051 -0.094 1.00 0.00 H new ATOM 0 HA SER A 44 -16.383 -4.810 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.196 -4.155 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 44 -18.283 -4.289 0.797 1.00 0.00 H new ATOM 0 HG SER A 44 -17.667 -2.091 0.377 1.00 0.00 H new ATOM 661 N GLY A 45 -17.196 -7.126 1.801 1.00 0.00 N ATOM 662 CA GLY A 45 -17.519 -8.535 1.655 1.00 0.00 C ATOM 663 C GLY A 45 -17.692 -9.211 3.017 1.00 0.00 C ATOM 664 O GLY A 45 -17.436 -8.588 4.055 1.00 0.00 O ATOM 0 H GLY A 45 -17.533 -6.726 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.436 -8.642 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.728 -9.035 1.096 1.00 0.00 H new ATOM 668 N PRO A 46 -18.132 -10.483 3.027 1.00 0.00 N ATOM 669 CA PRO A 46 -18.334 -11.248 4.247 1.00 0.00 C ATOM 670 C PRO A 46 -17.026 -11.270 5.033 1.00 0.00 C ATOM 671 O PRO A 46 -15.980 -11.644 4.503 1.00 0.00 O ATOM 672 CB PRO A 46 -18.837 -12.631 3.810 1.00 0.00 C ATOM 673 CG PRO A 46 -18.424 -12.739 2.346 1.00 0.00 C ATOM 674 CD PRO A 46 -18.453 -11.294 1.864 1.00 0.00 C ATOM 0 HA PRO A 46 -19.074 -10.817 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -18.389 -13.424 4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -19.918 -12.716 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.432 -13.178 2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -19.113 -13.366 1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.730 -11.134 1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -19.433 -11.034 1.465 1.00 0.00 H new ATOM 682 N SER A 47 -17.087 -10.844 6.291 1.00 0.00 N ATOM 683 CA SER A 47 -15.959 -10.763 7.201 1.00 0.00 C ATOM 684 C SER A 47 -16.301 -11.536 8.472 1.00 0.00 C ATOM 685 O SER A 47 -17.044 -11.039 9.320 1.00 0.00 O ATOM 686 CB SER A 47 -15.678 -9.282 7.460 1.00 0.00 C ATOM 687 OG SER A 47 -15.231 -8.647 6.270 1.00 0.00 O ATOM 0 H SER A 47 -17.960 -10.534 6.717 1.00 0.00 H new ATOM 0 HA SER A 47 -15.056 -11.212 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 47 -16.581 -8.792 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.923 -9.179 8.240 1.00 0.00 H new ATOM 0 HG SER A 47 -15.951 -8.653 5.606 1.00 0.00 H new ATOM 693 N SER A 48 -15.834 -12.779 8.561 1.00 0.00 N ATOM 694 CA SER A 48 -16.070 -13.652 9.699 1.00 0.00 C ATOM 695 C SER A 48 -15.270 -13.139 10.899 1.00 0.00 C ATOM 696 O SER A 48 -15.850 -12.726 11.904 1.00 0.00 O ATOM 697 CB SER A 48 -15.698 -15.080 9.279 1.00 0.00 C ATOM 698 OG SER A 48 -15.728 -16.002 10.350 1.00 0.00 O ATOM 0 H SER A 48 -15.271 -13.212 7.829 1.00 0.00 H new ATOM 0 HA SER A 48 -17.116 -13.658 10.006 1.00 0.00 H new ATOM 0 HB2 SER A 48 -16.385 -15.414 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.700 -15.074 8.841 1.00 0.00 H new ATOM 0 HG SER A 48 -15.484 -16.893 10.022 1.00 0.00 H new ATOM 704 N GLY A 49 -13.943 -13.111 10.784 1.00 0.00 N ATOM 705 CA GLY A 49 -13.028 -12.672 11.824 1.00 0.00 C ATOM 706 C GLY A 49 -11.714 -13.383 11.612 1.00 0.00 C ATOM 707 O GLY A 49 -11.765 -14.608 11.358 1.00 0.00 O ATOM 0 H GLY A 49 -13.464 -13.405 9.933 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.889 -11.592 11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.432 -12.902 12.810 1.00 0.00 H new TER 711 GLY A 49 ATOM 712 N GLY B 1 33.547 -17.567 -0.311 1.00 0.00 N ATOM 713 CA GLY B 1 33.893 -16.954 -1.604 1.00 0.00 C ATOM 714 C GLY B 1 33.360 -15.533 -1.624 1.00 0.00 C ATOM 715 O GLY B 1 33.375 -14.888 -0.578 1.00 0.00 O ATOM 0 H1 GLY B 1 34.399 -17.984 0.115 1.00 0.00 H new ATOM 0 H2 GLY B 1 33.162 -16.840 0.326 1.00 0.00 H new ATOM 0 H3 GLY B 1 32.835 -18.310 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY B 1 34.974 -16.955 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY B 1 33.464 -17.531 -2.423 1.00 0.00 H new ATOM 719 N SER B 2 32.927 -15.029 -2.785 1.00 0.00 N ATOM 720 CA SER B 2 32.381 -13.677 -2.875 1.00 0.00 C ATOM 721 C SER B 2 31.077 -13.612 -2.065 1.00 0.00 C ATOM 722 O SER B 2 30.460 -14.653 -1.804 1.00 0.00 O ATOM 723 CB SER B 2 32.151 -13.310 -4.347 1.00 0.00 C ATOM 724 OG SER B 2 32.160 -11.909 -4.490 1.00 0.00 O ATOM 0 H SER B 2 32.945 -15.537 -3.669 1.00 0.00 H new ATOM 0 HA SER B 2 33.083 -12.954 -2.459 1.00 0.00 H new ATOM 0 HB2 SER B 2 32.928 -13.754 -4.969 1.00 0.00 H new ATOM 0 HB3 SER B 2 31.198 -13.715 -4.689 1.00 0.00 H new ATOM 0 HG SER B 2 32.015 -11.675 -5.431 1.00 0.00 H new ATOM 730 N SER B 3 30.675 -12.414 -1.641 1.00 0.00 N ATOM 731 CA SER B 3 29.464 -12.167 -0.864 1.00 0.00 C ATOM 732 C SER B 3 28.905 -10.790 -1.231 1.00 0.00 C ATOM 733 O SER B 3 29.615 -9.965 -1.816 1.00 0.00 O ATOM 734 CB SER B 3 29.783 -12.248 0.639 1.00 0.00 C ATOM 735 OG SER B 3 30.401 -13.482 0.974 1.00 0.00 O ATOM 0 H SER B 3 31.201 -11.562 -1.836 1.00 0.00 H new ATOM 0 HA SER B 3 28.714 -12.924 -1.093 1.00 0.00 H new ATOM 0 HB2 SER B 3 30.439 -11.424 0.918 1.00 0.00 H new ATOM 0 HB3 SER B 3 28.864 -12.132 1.214 1.00 0.00 H new ATOM 0 HG SER B 3 30.592 -13.502 1.935 1.00 0.00 H new ATOM 741 N GLY B 4 27.632 -10.553 -0.924 1.00 0.00 N ATOM 742 CA GLY B 4 26.921 -9.310 -1.178 1.00 0.00 C ATOM 743 C GLY B 4 26.859 -8.462 0.084 1.00 0.00 C ATOM 744 O GLY B 4 27.437 -8.827 1.112 1.00 0.00 O ATOM 0 H GLY B 4 27.046 -11.255 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY B 4 27.420 -8.755 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY B 4 25.911 -9.527 -1.527 1.00 0.00 H new ATOM 748 N SER B 5 26.160 -7.328 0.020 1.00 0.00 N ATOM 749 CA SER B 5 26.038 -6.428 1.158 1.00 0.00 C ATOM 750 C SER B 5 24.870 -5.453 0.966 1.00 0.00 C ATOM 751 O SER B 5 24.740 -4.868 -0.112 1.00 0.00 O ATOM 752 CB SER B 5 27.378 -5.681 1.325 1.00 0.00 C ATOM 753 OG SER B 5 27.983 -5.307 0.094 1.00 0.00 O ATOM 0 H SER B 5 25.668 -7.013 -0.816 1.00 0.00 H new ATOM 0 HA SER B 5 25.822 -6.996 2.063 1.00 0.00 H new ATOM 0 HB2 SER B 5 27.212 -4.786 1.924 1.00 0.00 H new ATOM 0 HB3 SER B 5 28.069 -6.314 1.882 1.00 0.00 H new ATOM 0 HG SER B 5 28.825 -4.838 0.272 1.00 0.00 H new ATOM 759 N SER B 6 24.040 -5.282 1.999 1.00 0.00 N ATOM 760 CA SER B 6 22.876 -4.407 2.113 1.00 0.00 C ATOM 761 C SER B 6 22.661 -4.131 3.605 1.00 0.00 C ATOM 762 O SER B 6 22.837 -5.036 4.432 1.00 0.00 O ATOM 763 CB SER B 6 21.614 -5.065 1.544 1.00 0.00 C ATOM 764 OG SER B 6 21.713 -5.313 0.150 1.00 0.00 O ATOM 0 H SER B 6 24.184 -5.807 2.861 1.00 0.00 H new ATOM 0 HA SER B 6 23.056 -3.493 1.548 1.00 0.00 H new ATOM 0 HB2 SER B 6 21.431 -6.005 2.065 1.00 0.00 H new ATOM 0 HB3 SER B 6 20.755 -4.422 1.736 1.00 0.00 H new ATOM 0 HG SER B 6 20.887 -5.734 -0.167 1.00 0.00 H new ATOM 770 N GLY B 7 22.330 -2.893 3.975 1.00 0.00 N ATOM 771 CA GLY B 7 22.087 -2.533 5.365 1.00 0.00 C ATOM 772 C GLY B 7 20.770 -3.133 5.876 1.00 0.00 C ATOM 773 O GLY B 7 20.016 -3.746 5.114 1.00 0.00 O ATOM 0 H GLY B 7 22.224 -2.118 3.320 1.00 0.00 H new ATOM 0 HA2 GLY B 7 22.913 -2.884 5.983 1.00 0.00 H new ATOM 0 HA3 GLY B 7 22.056 -1.448 5.461 1.00 0.00 H new ATOM 777 N PRO B 8 20.468 -2.977 7.174 1.00 0.00 N ATOM 778 CA PRO B 8 19.263 -3.520 7.781 1.00 0.00 C ATOM 779 C PRO B 8 17.925 -2.898 7.350 1.00 0.00 C ATOM 780 O PRO B 8 16.986 -3.672 7.134 1.00 0.00 O ATOM 781 CB PRO B 8 19.482 -3.355 9.287 1.00 0.00 C ATOM 782 CG PRO B 8 20.414 -2.149 9.405 1.00 0.00 C ATOM 783 CD PRO B 8 21.290 -2.295 8.164 1.00 0.00 C ATOM 0 HA PRO B 8 19.145 -4.551 7.448 1.00 0.00 H new ATOM 0 HB2 PRO B 8 18.541 -3.183 9.809 1.00 0.00 H new ATOM 0 HB3 PRO B 8 19.930 -4.248 9.724 1.00 0.00 H new ATOM 0 HG2 PRO B 8 19.864 -1.208 9.406 1.00 0.00 H new ATOM 0 HG3 PRO B 8 21.001 -2.176 10.323 1.00 0.00 H new ATOM 0 HD2 PRO B 8 21.615 -1.321 7.798 1.00 0.00 H new ATOM 0 HD3 PRO B 8 22.190 -2.868 8.386 1.00 0.00 H new ATOM 791 N LEU B 9 17.778 -1.566 7.351 1.00 0.00 N ATOM 792 CA LEU B 9 16.561 -0.823 6.998 1.00 0.00 C ATOM 793 C LEU B 9 16.911 0.529 6.348 1.00 0.00 C ATOM 794 O LEU B 9 16.828 1.582 6.995 1.00 0.00 O ATOM 795 CB LEU B 9 15.742 -0.543 8.275 1.00 0.00 C ATOM 796 CG LEU B 9 15.315 -1.745 9.121 1.00 0.00 C ATOM 797 CD1 LEU B 9 14.709 -1.234 10.433 1.00 0.00 C ATOM 798 CD2 LEU B 9 14.264 -2.612 8.425 1.00 0.00 C ATOM 0 H LEU B 9 18.545 -0.946 7.612 1.00 0.00 H new ATOM 0 HA LEU B 9 15.989 -1.426 6.293 1.00 0.00 H new ATOM 0 HB2 LEU B 9 16.326 0.124 8.909 1.00 0.00 H new ATOM 0 HB3 LEU B 9 14.843 0.000 7.985 1.00 0.00 H new ATOM 0 HG LEU B 9 16.203 -2.355 9.289 1.00 0.00 H new ATOM 0 HD11 LEU B 9 14.400 -2.081 11.045 1.00 0.00 H new ATOM 0 HD12 LEU B 9 15.452 -0.647 10.973 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.843 -0.609 10.215 1.00 0.00 H new ATOM 0 HD21 LEU B 9 13.998 -3.449 9.070 1.00 0.00 H new ATOM 0 HD22 LEU B 9 13.376 -2.014 8.222 1.00 0.00 H new ATOM 0 HD23 LEU B 9 14.669 -2.991 7.486 1.00 0.00 H new ATOM 810 N GLU B 10 17.249 0.525 5.063 1.00 0.00 N ATOM 811 CA GLU B 10 17.622 1.742 4.338 1.00 0.00 C ATOM 812 C GLU B 10 16.472 2.734 4.160 1.00 0.00 C ATOM 813 O GLU B 10 15.294 2.422 4.364 1.00 0.00 O ATOM 814 CB GLU B 10 18.301 1.407 2.990 1.00 0.00 C ATOM 815 CG GLU B 10 19.770 1.854 3.003 1.00 0.00 C ATOM 816 CD GLU B 10 20.518 1.230 4.178 1.00 0.00 C ATOM 817 OE1 GLU B 10 20.658 -0.005 4.214 1.00 0.00 O ATOM 818 OE2 GLU B 10 20.845 1.981 5.131 1.00 0.00 O ATOM 0 H GLU B 10 17.273 -0.320 4.492 1.00 0.00 H new ATOM 0 HA GLU B 10 18.349 2.253 4.970 1.00 0.00 H new ATOM 0 HB2 GLU B 10 18.242 0.335 2.803 1.00 0.00 H new ATOM 0 HB3 GLU B 10 17.771 1.902 2.176 1.00 0.00 H new ATOM 0 HG2 GLU B 10 20.250 1.567 2.067 1.00 0.00 H new ATOM 0 HG3 GLU B 10 19.823 2.941 3.068 1.00 0.00 H new ATOM 825 N ARG B 11 16.829 3.965 3.780 1.00 0.00 N ATOM 826 CA ARG B 11 15.911 5.079 3.557 1.00 0.00 C ATOM 827 C ARG B 11 16.423 5.861 2.368 1.00 0.00 C ATOM 828 O ARG B 11 16.867 6.999 2.503 1.00 0.00 O ATOM 829 CB ARG B 11 15.814 5.972 4.805 1.00 0.00 C ATOM 830 CG ARG B 11 15.315 5.171 6.001 1.00 0.00 C ATOM 831 CD ARG B 11 15.095 6.071 7.207 1.00 0.00 C ATOM 832 NE ARG B 11 14.760 5.220 8.351 1.00 0.00 N ATOM 833 CZ ARG B 11 13.538 4.804 8.682 1.00 0.00 C ATOM 834 NH1 ARG B 11 12.466 5.354 8.121 1.00 0.00 N ATOM 835 NH2 ARG B 11 13.420 3.824 9.566 1.00 0.00 N ATOM 0 H ARG B 11 17.803 4.219 3.614 1.00 0.00 H new ATOM 0 HA ARG B 11 14.906 4.706 3.359 1.00 0.00 H new ATOM 0 HB2 ARG B 11 16.791 6.400 5.029 1.00 0.00 H new ATOM 0 HB3 ARG B 11 15.138 6.805 4.611 1.00 0.00 H new ATOM 0 HG2 ARG B 11 14.383 4.668 5.743 1.00 0.00 H new ATOM 0 HG3 ARG B 11 16.038 4.394 6.250 1.00 0.00 H new ATOM 0 HD2 ARG B 11 15.992 6.655 7.416 1.00 0.00 H new ATOM 0 HD3 ARG B 11 14.291 6.781 7.011 1.00 0.00 H new ATOM 0 HE ARG B 11 15.531 4.919 8.947 1.00 0.00 H new ATOM 0 HH11 ARG B 11 12.576 6.099 7.433 1.00 0.00 H new ATOM 0 HH12 ARG B 11 11.533 5.031 8.379 1.00 0.00 H new ATOM 0 HH21 ARG B 11 14.254 3.405 9.977 1.00 0.00 H new ATOM 0 HH22 ARG B 11 12.495 3.489 9.835 1.00 0.00 H new ATOM 849 N GLU B 12 16.372 5.247 1.196 1.00 0.00 N ATOM 850 CA GLU B 12 16.836 5.850 -0.044 1.00 0.00 C ATOM 851 C GLU B 12 15.730 5.750 -1.091 1.00 0.00 C ATOM 852 O GLU B 12 14.585 5.436 -0.737 1.00 0.00 O ATOM 853 CB GLU B 12 18.137 5.169 -0.482 1.00 0.00 C ATOM 854 CG GLU B 12 19.153 5.048 0.667 1.00 0.00 C ATOM 855 CD GLU B 12 20.567 4.789 0.161 1.00 0.00 C ATOM 856 OE1 GLU B 12 20.727 4.170 -0.919 1.00 0.00 O ATOM 857 OE2 GLU B 12 21.515 5.265 0.823 1.00 0.00 O ATOM 0 H GLU B 12 16.002 4.304 1.078 1.00 0.00 H new ATOM 0 HA GLU B 12 17.059 6.908 0.093 1.00 0.00 H new ATOM 0 HB2 GLU B 12 17.911 4.176 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU B 12 18.583 5.736 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU B 12 19.142 5.964 1.257 1.00 0.00 H new ATOM 0 HG3 GLU B 12 18.853 4.238 1.331 1.00 0.00 H new ATOM 864 N GLY B 13 16.052 6.068 -2.347 1.00 0.00 N ATOM 865 CA GLY B 13 15.116 6.001 -3.460 1.00 0.00 C ATOM 866 C GLY B 13 14.618 4.566 -3.644 1.00 0.00 C ATOM 867 O GLY B 13 15.184 3.626 -3.068 1.00 0.00 O ATOM 0 H GLY B 13 16.984 6.383 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY B 13 14.272 6.666 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY B 13 15.600 6.346 -4.374 1.00 0.00 H new ATOM 871 N LEU B 14 13.576 4.360 -4.445 1.00 0.00 N ATOM 872 CA LEU B 14 12.995 3.040 -4.683 1.00 0.00 C ATOM 873 C LEU B 14 13.153 2.598 -6.136 1.00 0.00 C ATOM 874 O LEU B 14 13.277 3.442 -7.026 1.00 0.00 O ATOM 875 CB LEU B 14 11.499 3.081 -4.315 1.00 0.00 C ATOM 876 CG LEU B 14 11.213 3.248 -2.815 1.00 0.00 C ATOM 877 CD1 LEU B 14 9.704 3.333 -2.589 1.00 0.00 C ATOM 878 CD2 LEU B 14 11.710 2.051 -1.997 1.00 0.00 C ATOM 0 H LEU B 14 13.107 5.110 -4.952 1.00 0.00 H new ATOM 0 HA LEU B 14 13.525 2.318 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU B 14 11.028 3.903 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU B 14 11.028 2.161 -4.661 1.00 0.00 H new ATOM 0 HG LEU B 14 11.730 4.153 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU B 14 9.502 3.451 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU B 14 9.302 4.188 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU B 14 9.230 2.420 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU B 14 11.486 2.213 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU B 14 11.211 1.144 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU B 14 12.787 1.943 -2.127 1.00 0.00 H new ATOM 890 N PRO B 15 13.106 1.282 -6.407 1.00 0.00 N ATOM 891 CA PRO B 15 13.213 0.758 -7.760 1.00 0.00 C ATOM 892 C PRO B 15 11.973 1.162 -8.576 1.00 0.00 C ATOM 893 O PRO B 15 10.962 1.588 -8.000 1.00 0.00 O ATOM 894 CB PRO B 15 13.348 -0.764 -7.617 1.00 0.00 C ATOM 895 CG PRO B 15 12.708 -1.053 -6.270 1.00 0.00 C ATOM 896 CD PRO B 15 12.970 0.199 -5.447 1.00 0.00 C ATOM 0 HA PRO B 15 14.073 1.159 -8.296 1.00 0.00 H new ATOM 0 HB2 PRO B 15 12.838 -1.290 -8.424 1.00 0.00 H new ATOM 0 HB3 PRO B 15 14.391 -1.078 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.640 -1.245 -6.371 1.00 0.00 H new ATOM 0 HG3 PRO B 15 13.147 -1.934 -5.803 1.00 0.00 H new ATOM 0 HD2 PRO B 15 12.150 0.391 -4.755 1.00 0.00 H new ATOM 0 HD3 PRO B 15 13.874 0.091 -4.848 1.00 0.00 H new ATOM 904 N PRO B 16 12.024 1.029 -9.911 1.00 0.00 N ATOM 905 CA PRO B 16 10.903 1.370 -10.767 1.00 0.00 C ATOM 906 C PRO B 16 9.731 0.452 -10.415 1.00 0.00 C ATOM 907 O PRO B 16 9.884 -0.772 -10.347 1.00 0.00 O ATOM 908 CB PRO B 16 11.401 1.207 -12.207 1.00 0.00 C ATOM 909 CG PRO B 16 12.575 0.239 -12.083 1.00 0.00 C ATOM 910 CD PRO B 16 13.142 0.542 -10.700 1.00 0.00 C ATOM 0 HA PRO B 16 10.544 2.391 -10.637 1.00 0.00 H new ATOM 0 HB2 PRO B 16 10.622 0.808 -12.856 1.00 0.00 H new ATOM 0 HB3 PRO B 16 11.713 2.161 -12.632 1.00 0.00 H new ATOM 0 HG2 PRO B 16 12.250 -0.798 -12.165 1.00 0.00 H new ATOM 0 HG3 PRO B 16 13.316 0.404 -12.865 1.00 0.00 H new ATOM 0 HD2 PRO B 16 13.577 -0.351 -10.252 1.00 0.00 H new ATOM 0 HD3 PRO B 16 13.934 1.288 -10.757 1.00 0.00 H new ATOM 918 N GLY B 17 8.571 1.044 -10.155 1.00 0.00 N ATOM 919 CA GLY B 17 7.343 0.357 -9.807 1.00 0.00 C ATOM 920 C GLY B 17 7.055 0.305 -8.305 1.00 0.00 C ATOM 921 O GLY B 17 5.916 0.013 -7.935 1.00 0.00 O ATOM 0 H GLY B 17 8.461 2.058 -10.183 1.00 0.00 H new ATOM 0 HA2 GLY B 17 6.510 0.850 -10.308 1.00 0.00 H new ATOM 0 HA3 GLY B 17 7.389 -0.662 -10.192 1.00 0.00 H new ATOM 925 N TRP B 18 8.036 0.541 -7.429 1.00 0.00 N ATOM 926 CA TRP B 18 7.804 0.520 -5.988 1.00 0.00 C ATOM 927 C TRP B 18 7.267 1.878 -5.538 1.00 0.00 C ATOM 928 O TRP B 18 7.547 2.894 -6.168 1.00 0.00 O ATOM 929 CB TRP B 18 9.086 0.128 -5.246 1.00 0.00 C ATOM 930 CG TRP B 18 9.155 -1.334 -4.953 1.00 0.00 C ATOM 931 CD1 TRP B 18 9.498 -2.297 -5.835 1.00 0.00 C ATOM 932 CD2 TRP B 18 8.822 -2.021 -3.709 1.00 0.00 C ATOM 933 NE1 TRP B 18 9.359 -3.530 -5.234 1.00 0.00 N ATOM 934 CE2 TRP B 18 8.958 -3.420 -3.923 1.00 0.00 C ATOM 935 CE3 TRP B 18 8.416 -1.603 -2.424 1.00 0.00 C ATOM 936 CZ2 TRP B 18 8.698 -4.356 -2.915 1.00 0.00 C ATOM 937 CZ3 TRP B 18 8.147 -2.534 -1.402 1.00 0.00 C ATOM 938 CH2 TRP B 18 8.295 -3.912 -1.646 1.00 0.00 C ATOM 0 H TRP B 18 8.998 0.749 -7.696 1.00 0.00 H new ATOM 0 HA TRP B 18 7.054 -0.233 -5.745 1.00 0.00 H new ATOM 0 HB2 TRP B 18 9.950 0.416 -5.844 1.00 0.00 H new ATOM 0 HB3 TRP B 18 9.145 0.685 -4.311 1.00 0.00 H new ATOM 0 HD1 TRP B 18 9.828 -2.128 -6.849 1.00 0.00 H new ATOM 0 HE1 TRP B 18 9.533 -4.418 -5.705 1.00 0.00 H new ATOM 0 HE3 TRP B 18 8.309 -0.548 -2.220 1.00 0.00 H new ATOM 0 HZ2 TRP B 18 8.807 -5.412 -3.112 1.00 0.00 H new ATOM 0 HZ3 TRP B 18 7.827 -2.190 -0.430 1.00 0.00 H new ATOM 0 HH2 TRP B 18 8.099 -4.626 -0.859 1.00 0.00 H new ATOM 949 N GLU B 19 6.515 1.909 -4.437 1.00 0.00 N ATOM 950 CA GLU B 19 5.939 3.137 -3.891 1.00 0.00 C ATOM 951 C GLU B 19 6.075 3.138 -2.369 1.00 0.00 C ATOM 952 O GLU B 19 6.113 2.075 -1.737 1.00 0.00 O ATOM 953 CB GLU B 19 4.455 3.213 -4.307 1.00 0.00 C ATOM 954 CG GLU B 19 3.724 4.542 -4.017 1.00 0.00 C ATOM 955 CD GLU B 19 4.394 5.775 -4.648 1.00 0.00 C ATOM 956 OE1 GLU B 19 5.335 6.308 -4.011 1.00 0.00 O ATOM 957 OE2 GLU B 19 3.987 6.205 -5.753 1.00 0.00 O ATOM 0 H GLU B 19 6.287 1.075 -3.895 1.00 0.00 H new ATOM 0 HA GLU B 19 6.467 4.008 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.390 3.015 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.918 2.411 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU B 19 2.700 4.469 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU B 19 3.666 4.685 -2.938 1.00 0.00 H new ATOM 964 N ARG B 20 6.160 4.332 -1.787 1.00 0.00 N ATOM 965 CA ARG B 20 6.258 4.581 -0.357 1.00 0.00 C ATOM 966 C ARG B 20 4.957 5.277 -0.011 1.00 0.00 C ATOM 967 O ARG B 20 4.522 6.181 -0.733 1.00 0.00 O ATOM 968 CB ARG B 20 7.479 5.443 -0.011 1.00 0.00 C ATOM 969 CG ARG B 20 7.737 5.479 1.501 1.00 0.00 C ATOM 970 CD ARG B 20 9.052 6.210 1.810 1.00 0.00 C ATOM 971 NE ARG B 20 8.843 7.401 2.640 1.00 0.00 N ATOM 972 CZ ARG B 20 8.528 8.632 2.221 1.00 0.00 C ATOM 973 NH1 ARG B 20 8.378 8.920 0.932 1.00 0.00 N ATOM 974 NH2 ARG B 20 8.379 9.604 3.106 1.00 0.00 N ATOM 0 H ARG B 20 6.162 5.195 -2.331 1.00 0.00 H new ATOM 0 HA ARG B 20 6.398 3.663 0.214 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.358 5.050 -0.521 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.324 6.458 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.910 5.980 2.004 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.780 4.462 1.892 1.00 0.00 H new ATOM 0 HD2 ARG B 20 9.733 5.529 2.320 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.532 6.500 0.876 1.00 0.00 H new ATOM 0 HE ARG B 20 8.949 7.277 3.647 1.00 0.00 H new ATOM 0 HH11 ARG B 20 8.503 8.192 0.229 1.00 0.00 H new ATOM 0 HH12 ARG B 20 8.137 9.869 0.646 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.504 9.412 4.100 1.00 0.00 H new ATOM 0 HH22 ARG B 20 8.139 10.545 2.794 1.00 0.00 H new ATOM 988 N VAL B 21 4.332 4.849 1.072 1.00 0.00 N ATOM 989 CA VAL B 21 3.072 5.384 1.538 1.00 0.00 C ATOM 990 C VAL B 21 3.248 5.906 2.951 1.00 0.00 C ATOM 991 O VAL B 21 3.821 5.210 3.789 1.00 0.00 O ATOM 992 CB VAL B 21 2.027 4.256 1.490 1.00 0.00 C ATOM 993 CG1 VAL B 21 0.713 4.699 2.144 1.00 0.00 C ATOM 994 CG2 VAL B 21 1.779 3.785 0.048 1.00 0.00 C ATOM 0 H VAL B 21 4.698 4.102 1.663 1.00 0.00 H new ATOM 0 HA VAL B 21 2.737 6.209 0.909 1.00 0.00 H new ATOM 0 HB VAL B 21 2.426 3.414 2.055 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -0.009 3.884 2.097 1.00 0.00 H new ATOM 0 HG12 VAL B 21 0.896 4.963 3.186 1.00 0.00 H new ATOM 0 HG13 VAL B 21 0.317 5.566 1.615 1.00 0.00 H new ATOM 0 HG21 VAL B 21 1.036 2.988 0.048 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.415 4.620 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.710 3.413 -0.378 1.00 0.00 H new ATOM 1004 N GLU B 22 2.736 7.100 3.229 1.00 0.00 N ATOM 1005 CA GLU B 22 2.785 7.723 4.541 1.00 0.00 C ATOM 1006 C GLU B 22 1.347 8.068 4.916 1.00 0.00 C ATOM 1007 O GLU B 22 0.520 8.406 4.063 1.00 0.00 O ATOM 1008 CB GLU B 22 3.827 8.847 4.612 1.00 0.00 C ATOM 1009 CG GLU B 22 3.645 10.043 3.666 1.00 0.00 C ATOM 1010 CD GLU B 22 4.996 10.719 3.385 1.00 0.00 C ATOM 1011 OE1 GLU B 22 5.808 10.887 4.329 1.00 0.00 O ATOM 1012 OE2 GLU B 22 5.290 11.013 2.196 1.00 0.00 O ATOM 0 H GLU B 22 2.265 7.673 2.529 1.00 0.00 H new ATOM 0 HA GLU B 22 3.161 7.052 5.314 1.00 0.00 H new ATOM 0 HB2 GLU B 22 3.844 9.226 5.634 1.00 0.00 H new ATOM 0 HB3 GLU B 22 4.807 8.410 4.418 1.00 0.00 H new ATOM 0 HG2 GLU B 22 3.198 9.709 2.730 1.00 0.00 H new ATOM 0 HG3 GLU B 22 2.957 10.763 4.109 1.00 0.00 H new ATOM 1019 N SER B 23 1.003 7.876 6.185 1.00 0.00 N ATOM 1020 CA SER B 23 -0.335 8.125 6.713 1.00 0.00 C ATOM 1021 C SER B 23 -0.308 8.293 8.222 1.00 0.00 C ATOM 1022 O SER B 23 0.231 7.422 8.888 1.00 0.00 O ATOM 1023 CB SER B 23 -1.161 6.878 6.402 1.00 0.00 C ATOM 1024 OG SER B 23 -1.602 6.980 5.064 1.00 0.00 O ATOM 0 H SER B 23 1.658 7.537 6.889 1.00 0.00 H new ATOM 0 HA SER B 23 -0.743 9.033 6.269 1.00 0.00 H new ATOM 0 HB2 SER B 23 -0.562 5.978 6.540 1.00 0.00 H new ATOM 0 HB3 SER B 23 -2.011 6.803 7.080 1.00 0.00 H new ATOM 0 HG SER B 23 -1.011 7.585 4.570 1.00 0.00 H new ATOM 1030 N SER B 24 -0.968 9.303 8.790 1.00 0.00 N ATOM 1031 CA SER B 24 -0.987 9.517 10.240 1.00 0.00 C ATOM 1032 C SER B 24 -1.577 8.357 11.051 1.00 0.00 C ATOM 1033 O SER B 24 -1.409 8.321 12.269 1.00 0.00 O ATOM 1034 CB SER B 24 -1.772 10.784 10.571 1.00 0.00 C ATOM 1035 OG SER B 24 -1.328 11.875 9.778 1.00 0.00 O ATOM 0 H SER B 24 -1.502 9.993 8.262 1.00 0.00 H new ATOM 0 HA SER B 24 0.061 9.603 10.528 1.00 0.00 H new ATOM 0 HB2 SER B 24 -2.835 10.613 10.400 1.00 0.00 H new ATOM 0 HB3 SER B 24 -1.654 11.025 11.627 1.00 0.00 H new ATOM 0 HG SER B 24 -1.845 12.676 10.005 1.00 0.00 H new ATOM 1041 N GLU B 25 -2.283 7.418 10.418 1.00 0.00 N ATOM 1042 CA GLU B 25 -2.879 6.289 11.116 1.00 0.00 C ATOM 1043 C GLU B 25 -1.917 5.086 11.203 1.00 0.00 C ATOM 1044 O GLU B 25 -2.092 4.236 12.077 1.00 0.00 O ATOM 1045 CB GLU B 25 -4.162 5.879 10.365 1.00 0.00 C ATOM 1046 CG GLU B 25 -5.201 5.124 11.216 1.00 0.00 C ATOM 1047 CD GLU B 25 -5.985 6.024 12.177 1.00 0.00 C ATOM 1048 OE1 GLU B 25 -6.371 7.160 11.814 1.00 0.00 O ATOM 1049 OE2 GLU B 25 -6.226 5.611 13.339 1.00 0.00 O ATOM 0 H GLU B 25 -2.454 7.423 9.412 1.00 0.00 H new ATOM 0 HA GLU B 25 -3.105 6.592 12.138 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.630 6.776 9.959 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.884 5.253 9.517 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.903 4.619 10.552 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -4.693 4.350 11.791 1.00 0.00 H new ATOM 1056 N PHE B 26 -0.896 5.010 10.333 1.00 0.00 N ATOM 1057 CA PHE B 26 0.062 3.894 10.284 1.00 0.00 C ATOM 1058 C PHE B 26 1.534 4.310 10.294 1.00 0.00 C ATOM 1059 O PHE B 26 2.407 3.499 10.596 1.00 0.00 O ATOM 1060 CB PHE B 26 -0.239 3.041 9.045 1.00 0.00 C ATOM 1061 CG PHE B 26 -1.698 2.646 8.903 1.00 0.00 C ATOM 1062 CD1 PHE B 26 -2.251 1.663 9.747 1.00 0.00 C ATOM 1063 CD2 PHE B 26 -2.513 3.280 7.945 1.00 0.00 C ATOM 1064 CE1 PHE B 26 -3.616 1.338 9.656 1.00 0.00 C ATOM 1065 CE2 PHE B 26 -3.871 2.938 7.850 1.00 0.00 C ATOM 1066 CZ PHE B 26 -4.431 1.981 8.710 1.00 0.00 C ATOM 0 H PHE B 26 -0.711 5.731 9.636 1.00 0.00 H new ATOM 0 HA PHE B 26 -0.076 3.326 11.204 1.00 0.00 H new ATOM 0 HB2 PHE B 26 0.065 3.592 8.155 1.00 0.00 H new ATOM 0 HB3 PHE B 26 0.369 2.137 9.083 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -1.624 1.157 10.467 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -2.095 4.026 7.286 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -4.038 0.593 10.314 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -4.492 3.417 7.107 1.00 0.00 H new ATOM 0 HZ PHE B 26 -5.482 1.740 8.645 1.00 0.00 H new ATOM 1076 N GLY B 27 1.828 5.570 10.013 1.00 0.00 N ATOM 1077 CA GLY B 27 3.153 6.150 9.979 1.00 0.00 C ATOM 1078 C GLY B 27 3.618 6.157 8.542 1.00 0.00 C ATOM 1079 O GLY B 27 3.254 7.054 7.782 1.00 0.00 O ATOM 0 H GLY B 27 1.102 6.251 9.790 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.137 7.163 10.380 1.00 0.00 H new ATOM 0 HA3 GLY B 27 3.839 5.573 10.599 1.00 0.00 H new ATOM 1083 N THR B 28 4.432 5.178 8.170 1.00 0.00 N ATOM 1084 CA THR B 28 4.963 5.044 6.820 1.00 0.00 C ATOM 1085 C THR B 28 5.245 3.572 6.527 1.00 0.00 C ATOM 1086 O THR B 28 5.689 2.821 7.402 1.00 0.00 O ATOM 1087 CB THR B 28 6.251 5.885 6.635 1.00 0.00 C ATOM 1088 OG1 THR B 28 6.074 7.225 7.047 1.00 0.00 O ATOM 1089 CG2 THR B 28 6.742 5.939 5.185 1.00 0.00 C ATOM 0 H THR B 28 4.746 4.445 8.806 1.00 0.00 H new ATOM 0 HA THR B 28 4.219 5.420 6.117 1.00 0.00 H new ATOM 0 HB THR B 28 6.988 5.375 7.255 1.00 0.00 H new ATOM 0 HG1 THR B 28 6.909 7.721 6.916 1.00 0.00 H new ATOM 0 HG21 THR B 28 7.647 6.544 5.130 1.00 0.00 H new ATOM 0 HG22 THR B 28 6.959 4.929 4.836 1.00 0.00 H new ATOM 0 HG23 THR B 28 5.970 6.382 4.556 1.00 0.00 H new ATOM 1097 N TYR B 29 4.987 3.150 5.298 1.00 0.00 N ATOM 1098 CA TYR B 29 5.216 1.803 4.793 1.00 0.00 C ATOM 1099 C TYR B 29 5.541 1.879 3.297 1.00 0.00 C ATOM 1100 O TYR B 29 5.612 2.963 2.725 1.00 0.00 O ATOM 1101 CB TYR B 29 4.044 0.874 5.139 1.00 0.00 C ATOM 1102 CG TYR B 29 2.666 1.351 4.729 1.00 0.00 C ATOM 1103 CD1 TYR B 29 1.959 2.231 5.572 1.00 0.00 C ATOM 1104 CD2 TYR B 29 2.071 0.878 3.544 1.00 0.00 C ATOM 1105 CE1 TYR B 29 0.652 2.621 5.242 1.00 0.00 C ATOM 1106 CE2 TYR B 29 0.758 1.262 3.218 1.00 0.00 C ATOM 1107 CZ TYR B 29 0.033 2.116 4.080 1.00 0.00 C ATOM 1108 OH TYR B 29 -1.265 2.434 3.830 1.00 0.00 O ATOM 0 H TYR B 29 4.592 3.769 4.590 1.00 0.00 H new ATOM 0 HA TYR B 29 6.079 1.354 5.285 1.00 0.00 H new ATOM 0 HB2 TYR B 29 4.225 -0.094 4.671 1.00 0.00 H new ATOM 0 HB3 TYR B 29 4.043 0.711 6.217 1.00 0.00 H new ATOM 0 HD1 TYR B 29 2.423 2.606 6.472 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.622 0.222 2.887 1.00 0.00 H new ATOM 0 HE1 TYR B 29 0.119 3.310 5.880 1.00 0.00 H new ATOM 0 HE2 TYR B 29 0.302 0.904 2.307 1.00 0.00 H new ATOM 0 HH TYR B 29 -1.840 2.017 4.505 1.00 0.00 H new ATOM 1118 N TYR B 30 5.771 0.740 2.651 1.00 0.00 N ATOM 1119 CA TYR B 30 6.106 0.619 1.245 1.00 0.00 C ATOM 1120 C TYR B 30 5.193 -0.459 0.662 1.00 0.00 C ATOM 1121 O TYR B 30 4.775 -1.374 1.388 1.00 0.00 O ATOM 1122 CB TYR B 30 7.595 0.243 1.110 1.00 0.00 C ATOM 1123 CG TYR B 30 8.582 1.100 1.897 1.00 0.00 C ATOM 1124 CD1 TYR B 30 8.730 0.911 3.284 1.00 0.00 C ATOM 1125 CD2 TYR B 30 9.370 2.071 1.253 1.00 0.00 C ATOM 1126 CE1 TYR B 30 9.610 1.706 4.032 1.00 0.00 C ATOM 1127 CE2 TYR B 30 10.282 2.854 1.988 1.00 0.00 C ATOM 1128 CZ TYR B 30 10.390 2.690 3.389 1.00 0.00 C ATOM 1129 OH TYR B 30 11.251 3.457 4.117 1.00 0.00 O ATOM 0 H TYR B 30 5.725 -0.164 3.121 1.00 0.00 H new ATOM 0 HA TYR B 30 5.958 1.554 0.705 1.00 0.00 H new ATOM 0 HB2 TYR B 30 7.716 -0.794 1.424 1.00 0.00 H new ATOM 0 HB3 TYR B 30 7.866 0.290 0.055 1.00 0.00 H new ATOM 0 HD1 TYR B 30 8.157 0.142 3.780 1.00 0.00 H new ATOM 0 HD2 TYR B 30 9.275 2.217 0.187 1.00 0.00 H new ATOM 0 HE1 TYR B 30 9.691 1.565 5.100 1.00 0.00 H new ATOM 0 HE2 TYR B 30 10.900 3.581 1.481 1.00 0.00 H new ATOM 0 HH TYR B 30 11.712 4.085 3.523 1.00 0.00 H new ATOM 1139 N VAL B 31 4.892 -0.365 -0.632 1.00 0.00 N ATOM 1140 CA VAL B 31 4.035 -1.318 -1.333 1.00 0.00 C ATOM 1141 C VAL B 31 4.759 -1.816 -2.584 1.00 0.00 C ATOM 1142 O VAL B 31 5.529 -1.087 -3.213 1.00 0.00 O ATOM 1143 CB VAL B 31 2.644 -0.701 -1.613 1.00 0.00 C ATOM 1144 CG1 VAL B 31 1.691 -1.703 -2.291 1.00 0.00 C ATOM 1145 CG2 VAL B 31 1.953 -0.249 -0.312 1.00 0.00 C ATOM 0 H VAL B 31 5.241 0.384 -1.230 1.00 0.00 H new ATOM 0 HA VAL B 31 3.841 -2.190 -0.709 1.00 0.00 H new ATOM 0 HB VAL B 31 2.833 0.148 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL B 31 0.727 -1.226 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.117 -2.024 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.553 -2.569 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.979 0.179 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL B 31 1.823 -1.107 0.348 1.00 0.00 H new ATOM 0 HG23 VAL B 31 2.568 0.501 0.185 1.00 0.00 H new ATOM 1155 N ASP B 32 4.509 -3.081 -2.909 1.00 0.00 N ATOM 1156 CA ASP B 32 5.015 -3.854 -4.032 1.00 0.00 C ATOM 1157 C ASP B 32 3.847 -4.008 -4.992 1.00 0.00 C ATOM 1158 O ASP B 32 2.944 -4.798 -4.728 1.00 0.00 O ATOM 1159 CB ASP B 32 5.458 -5.226 -3.489 1.00 0.00 C ATOM 1160 CG ASP B 32 6.102 -6.158 -4.518 1.00 0.00 C ATOM 1161 OD1 ASP B 32 5.633 -6.222 -5.670 1.00 0.00 O ATOM 1162 OD2 ASP B 32 7.010 -6.937 -4.137 1.00 0.00 O ATOM 0 H ASP B 32 3.884 -3.644 -2.332 1.00 0.00 H new ATOM 0 HA ASP B 32 5.860 -3.385 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP B 32 6.165 -5.065 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP B 32 4.589 -5.727 -3.062 1.00 0.00 H new ATOM 1167 N HIS B 33 3.814 -3.240 -6.076 1.00 0.00 N ATOM 1168 CA HIS B 33 2.732 -3.292 -7.067 1.00 0.00 C ATOM 1169 C HIS B 33 2.765 -4.564 -7.917 1.00 0.00 C ATOM 1170 O HIS B 33 1.733 -5.013 -8.424 1.00 0.00 O ATOM 1171 CB HIS B 33 2.772 -2.047 -7.969 1.00 0.00 C ATOM 1172 CG HIS B 33 1.662 -1.053 -7.731 1.00 0.00 C ATOM 1173 ND1 HIS B 33 0.393 -1.116 -8.311 1.00 0.00 N ATOM 1174 CD2 HIS B 33 1.770 0.118 -7.039 1.00 0.00 C ATOM 1175 CE1 HIS B 33 -0.204 0.045 -7.998 1.00 0.00 C ATOM 1176 NE2 HIS B 33 0.576 0.776 -7.188 1.00 0.00 N ATOM 0 H HIS B 33 4.539 -2.558 -6.298 1.00 0.00 H new ATOM 0 HA HIS B 33 1.795 -3.308 -6.510 1.00 0.00 H new ATOM 0 HB2 HIS B 33 3.728 -1.543 -7.826 1.00 0.00 H new ATOM 0 HB3 HIS B 33 2.734 -2.369 -9.010 1.00 0.00 H new ATOM 0 HD1 HIS B 33 0.002 -1.883 -8.858 1.00 0.00 H new ATOM 0 HD2 HIS B 33 2.629 0.460 -6.482 1.00 0.00 H new ATOM 0 HE1 HIS B 33 -1.179 0.349 -8.350 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.325 1.666 -6.758 1.00 0.00 H new ATOM 1184 N THR B 34 3.934 -5.177 -8.027 1.00 0.00 N ATOM 1185 CA THR B 34 4.214 -6.385 -8.782 1.00 0.00 C ATOM 1186 C THR B 34 3.680 -7.646 -8.087 1.00 0.00 C ATOM 1187 O THR B 34 3.456 -8.674 -8.743 1.00 0.00 O ATOM 1188 CB THR B 34 5.737 -6.379 -8.990 1.00 0.00 C ATOM 1189 OG1 THR B 34 6.014 -5.308 -9.876 1.00 0.00 O ATOM 1190 CG2 THR B 34 6.331 -7.655 -9.568 1.00 0.00 C ATOM 0 H THR B 34 4.766 -4.818 -7.559 1.00 0.00 H new ATOM 0 HA THR B 34 3.698 -6.402 -9.742 1.00 0.00 H new ATOM 0 HB THR B 34 6.195 -6.281 -8.006 1.00 0.00 H new ATOM 0 HG1 THR B 34 6.979 -5.261 -10.040 1.00 0.00 H new ATOM 0 HG21 THR B 34 7.410 -7.539 -9.672 1.00 0.00 H new ATOM 0 HG22 THR B 34 6.118 -8.490 -8.901 1.00 0.00 H new ATOM 0 HG23 THR B 34 5.891 -7.851 -10.546 1.00 0.00 H new ATOM 1198 N ASN B 35 3.363 -7.563 -6.795 1.00 0.00 N ATOM 1199 CA ASN B 35 2.857 -8.667 -5.976 1.00 0.00 C ATOM 1200 C ASN B 35 1.647 -8.266 -5.150 1.00 0.00 C ATOM 1201 O ASN B 35 0.918 -9.114 -4.629 1.00 0.00 O ATOM 1202 CB ASN B 35 3.961 -9.145 -5.035 1.00 0.00 C ATOM 1203 CG ASN B 35 5.097 -9.773 -5.813 1.00 0.00 C ATOM 1204 OD1 ASN B 35 6.171 -9.049 -6.034 1.00 0.00 O flip ATOM 1205 ND2 ASN B 35 4.980 -10.910 -6.269 1.00 0.00 N flip ATOM 0 H ASN B 35 3.455 -6.693 -6.270 1.00 0.00 H new ATOM 0 HA ASN B 35 2.550 -9.463 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN B 35 4.336 -8.305 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN B 35 3.555 -9.869 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN B 35 4.135 -11.450 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN B 35 5.728 -11.312 -6.834 1.00 0.00 H new ATOM 1212 N LYS B 36 1.396 -6.963 -5.088 1.00 0.00 N ATOM 1213 CA LYS B 36 0.324 -6.308 -4.367 1.00 0.00 C ATOM 1214 C LYS B 36 0.417 -6.676 -2.896 1.00 0.00 C ATOM 1215 O LYS B 36 -0.521 -7.266 -2.346 1.00 0.00 O ATOM 1216 CB LYS B 36 -1.006 -6.586 -5.081 1.00 0.00 C ATOM 1217 CG LYS B 36 -0.963 -5.995 -6.502 1.00 0.00 C ATOM 1218 CD LYS B 36 -2.084 -5.004 -6.772 1.00 0.00 C ATOM 1219 CE LYS B 36 -3.466 -5.651 -6.939 1.00 0.00 C ATOM 1220 NZ LYS B 36 -3.499 -6.683 -8.002 1.00 0.00 N ATOM 0 H LYS B 36 1.985 -6.291 -5.580 1.00 0.00 H new ATOM 0 HA LYS B 36 0.405 -5.221 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -1.187 -7.660 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -1.831 -6.148 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -0.004 -5.499 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -1.021 -6.806 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -2.127 -4.288 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -1.847 -4.441 -7.675 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -3.766 -6.102 -5.993 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -4.198 -4.877 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -4.487 -6.913 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -3.020 -6.322 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -3.013 -7.540 -7.669 1.00 0.00 H new ATOM 1234 N ARG B 37 1.576 -6.396 -2.285 1.00 0.00 N ATOM 1235 CA ARG B 37 1.858 -6.670 -0.874 1.00 0.00 C ATOM 1236 C ARG B 37 2.496 -5.440 -0.231 1.00 0.00 C ATOM 1237 O ARG B 37 3.116 -4.640 -0.931 1.00 0.00 O ATOM 1238 CB ARG B 37 2.723 -7.940 -0.708 1.00 0.00 C ATOM 1239 CG ARG B 37 2.075 -9.168 -1.377 1.00 0.00 C ATOM 1240 CD ARG B 37 2.483 -10.522 -0.779 1.00 0.00 C ATOM 1241 NE ARG B 37 3.808 -10.959 -1.243 1.00 0.00 N ATOM 1242 CZ ARG B 37 4.061 -11.634 -2.371 1.00 0.00 C ATOM 1243 NH1 ARG B 37 3.068 -12.005 -3.170 1.00 0.00 N ATOM 1244 NH2 ARG B 37 5.307 -11.924 -2.709 1.00 0.00 N ATOM 0 H ARG B 37 2.361 -5.962 -2.772 1.00 0.00 H new ATOM 0 HA ARG B 37 0.921 -6.874 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG B 37 3.708 -7.768 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG B 37 2.873 -8.141 0.353 1.00 0.00 H new ATOM 0 HG2 ARG B 37 0.991 -9.070 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG B 37 2.331 -9.163 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG B 37 2.487 -10.450 0.309 1.00 0.00 H new ATOM 0 HD3 ARG B 37 1.740 -11.274 -1.047 1.00 0.00 H new ATOM 0 HE ARG B 37 4.606 -10.727 -0.652 1.00 0.00 H new ATOM 0 HH11 ARG B 37 2.104 -11.776 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG B 37 3.269 -12.519 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG B 37 6.079 -11.633 -2.109 1.00 0.00 H new ATOM 0 HH22 ARG B 37 5.495 -12.439 -3.569 1.00 0.00 H new ATOM 1258 N ALA B 38 2.377 -5.292 1.091 1.00 0.00 N ATOM 1259 CA ALA B 38 2.918 -4.166 1.850 1.00 0.00 C ATOM 1260 C ALA B 38 4.014 -4.630 2.803 1.00 0.00 C ATOM 1261 O ALA B 38 4.020 -5.780 3.250 1.00 0.00 O ATOM 1262 CB ALA B 38 1.818 -3.501 2.685 1.00 0.00 C ATOM 0 H ALA B 38 1.889 -5.970 1.676 1.00 0.00 H new ATOM 0 HA ALA B 38 3.326 -3.457 1.130 1.00 0.00 H new ATOM 0 HB1 ALA B 38 2.240 -2.665 3.243 1.00 0.00 H new ATOM 0 HB2 ALA B 38 1.031 -3.136 2.025 1.00 0.00 H new ATOM 0 HB3 ALA B 38 1.400 -4.228 3.381 1.00 0.00 H new ATOM 1268 N GLN B 39 4.935 -3.730 3.140 1.00 0.00 N ATOM 1269 CA GLN B 39 6.019 -3.986 4.072 1.00 0.00 C ATOM 1270 C GLN B 39 6.438 -2.659 4.698 1.00 0.00 C ATOM 1271 O GLN B 39 6.413 -1.617 4.050 1.00 0.00 O ATOM 1272 CB GLN B 39 7.171 -4.754 3.422 1.00 0.00 C ATOM 1273 CG GLN B 39 7.852 -4.069 2.232 1.00 0.00 C ATOM 1274 CD GLN B 39 9.024 -4.916 1.742 1.00 0.00 C ATOM 1275 OE1 GLN B 39 8.884 -6.122 1.554 1.00 0.00 O ATOM 1276 NE2 GLN B 39 10.197 -4.337 1.573 1.00 0.00 N ATOM 0 H GLN B 39 4.944 -2.783 2.762 1.00 0.00 H new ATOM 0 HA GLN B 39 5.677 -4.646 4.869 1.00 0.00 H new ATOM 0 HB2 GLN B 39 7.926 -4.949 4.184 1.00 0.00 H new ATOM 0 HB3 GLN B 39 6.794 -5.722 3.091 1.00 0.00 H new ATOM 0 HG2 GLN B 39 7.134 -3.926 1.425 1.00 0.00 H new ATOM 0 HG3 GLN B 39 8.205 -3.080 2.524 1.00 0.00 H new ATOM 0 HE21 GLN B 39 10.299 -3.335 1.733 1.00 0.00 H new ATOM 0 HE22 GLN B 39 11.002 -4.892 1.283 1.00 0.00 H new ATOM 1285 N TYR B 40 6.882 -2.695 5.951 1.00 0.00 N ATOM 1286 CA TYR B 40 7.292 -1.513 6.701 1.00 0.00 C ATOM 1287 C TYR B 40 8.758 -1.108 6.454 1.00 0.00 C ATOM 1288 O TYR B 40 9.275 -0.277 7.198 1.00 0.00 O ATOM 1289 CB TYR B 40 7.004 -1.780 8.192 1.00 0.00 C ATOM 1290 CG TYR B 40 5.550 -2.096 8.528 1.00 0.00 C ATOM 1291 CD1 TYR B 40 4.584 -1.068 8.507 1.00 0.00 C ATOM 1292 CD2 TYR B 40 5.150 -3.413 8.855 1.00 0.00 C ATOM 1293 CE1 TYR B 40 3.239 -1.350 8.799 1.00 0.00 C ATOM 1294 CE2 TYR B 40 3.797 -3.704 9.131 1.00 0.00 C ATOM 1295 CZ TYR B 40 2.837 -2.665 9.112 1.00 0.00 C ATOM 1296 OH TYR B 40 1.521 -2.915 9.338 1.00 0.00 O ATOM 0 H TYR B 40 6.968 -3.561 6.482 1.00 0.00 H new ATOM 0 HA TYR B 40 6.716 -0.655 6.353 1.00 0.00 H new ATOM 0 HB2 TYR B 40 7.625 -2.613 8.522 1.00 0.00 H new ATOM 0 HB3 TYR B 40 7.311 -0.906 8.767 1.00 0.00 H new ATOM 0 HD1 TYR B 40 4.880 -0.058 8.265 1.00 0.00 H new ATOM 0 HD2 TYR B 40 5.886 -4.202 8.894 1.00 0.00 H new ATOM 0 HE1 TYR B 40 2.508 -0.555 8.784 1.00 0.00 H new ATOM 0 HE2 TYR B 40 3.495 -4.716 9.356 1.00 0.00 H new ATOM 0 HH TYR B 40 1.399 -3.866 9.541 1.00 0.00 H new ATOM 1306 N ARG B 41 9.460 -1.683 5.465 1.00 0.00 N ATOM 1307 CA ARG B 41 10.869 -1.378 5.176 1.00 0.00 C ATOM 1308 C ARG B 41 11.174 -1.333 3.684 1.00 0.00 C ATOM 1309 O ARG B 41 10.369 -1.798 2.877 1.00 0.00 O ATOM 1310 CB ARG B 41 11.808 -2.369 5.896 1.00 0.00 C ATOM 1311 CG ARG B 41 11.795 -3.841 5.438 1.00 0.00 C ATOM 1312 CD ARG B 41 10.421 -4.478 5.663 1.00 0.00 C ATOM 1313 NE ARG B 41 10.439 -5.946 5.750 1.00 0.00 N ATOM 1314 CZ ARG B 41 10.105 -6.671 6.828 1.00 0.00 C ATOM 1315 NH1 ARG B 41 9.916 -6.096 8.015 1.00 0.00 N ATOM 1316 NH2 ARG B 41 9.916 -7.980 6.728 1.00 0.00 N ATOM 0 H ARG B 41 9.060 -2.380 4.837 1.00 0.00 H new ATOM 0 HA ARG B 41 11.052 -0.375 5.563 1.00 0.00 H new ATOM 0 HB2 ARG B 41 12.827 -1.997 5.795 1.00 0.00 H new ATOM 0 HB3 ARG B 41 11.565 -2.348 6.958 1.00 0.00 H new ATOM 0 HG2 ARG B 41 12.057 -3.898 4.381 1.00 0.00 H new ATOM 0 HG3 ARG B 41 12.553 -4.402 5.985 1.00 0.00 H new ATOM 0 HD2 ARG B 41 9.994 -4.077 6.582 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.759 -4.182 4.849 1.00 0.00 H new ATOM 0 HE ARG B 41 10.731 -6.458 4.917 1.00 0.00 H new ATOM 0 HH11 ARG B 41 10.025 -5.087 8.116 1.00 0.00 H new ATOM 0 HH12 ARG B 41 9.662 -6.665 8.823 1.00 0.00 H new ATOM 0 HH21 ARG B 41 10.024 -8.443 5.826 1.00 0.00 H new ATOM 0 HH22 ARG B 41 9.662 -8.523 7.553 1.00 0.00 H new ATOM 1330 N HIS B 42 12.349 -0.798 3.360 1.00 0.00 N ATOM 1331 CA HIS B 42 12.883 -0.634 2.014 1.00 0.00 C ATOM 1332 C HIS B 42 12.924 -1.983 1.272 1.00 0.00 C ATOM 1333 O HIS B 42 13.200 -2.998 1.915 1.00 0.00 O ATOM 1334 CB HIS B 42 14.290 -0.023 2.152 1.00 0.00 C ATOM 1335 CG HIS B 42 14.813 0.686 0.930 1.00 0.00 C ATOM 1336 ND1 HIS B 42 15.769 0.178 0.053 1.00 0.00 N ATOM 1337 CD2 HIS B 42 14.424 1.925 0.506 1.00 0.00 C ATOM 1338 CE1 HIS B 42 15.920 1.113 -0.900 1.00 0.00 C ATOM 1339 NE2 HIS B 42 15.130 2.172 -0.651 1.00 0.00 N ATOM 0 H HIS B 42 12.989 -0.448 4.073 1.00 0.00 H new ATOM 0 HA HIS B 42 12.245 0.024 1.423 1.00 0.00 H new ATOM 0 HB2 HIS B 42 14.281 0.682 2.983 1.00 0.00 H new ATOM 0 HB3 HIS B 42 14.988 -0.818 2.416 1.00 0.00 H new ATOM 0 HD2 HIS B 42 13.708 2.579 0.982 1.00 0.00 H new ATOM 0 HE1 HIS B 42 16.583 1.026 -1.748 1.00 0.00 H new ATOM 0 HE2 HIS B 42 15.064 3.015 -1.222 1.00 0.00 H new ATOM 1347 N PRO B 43 12.681 -2.016 -0.052 1.00 0.00 N ATOM 1348 CA PRO B 43 12.688 -3.226 -0.871 1.00 0.00 C ATOM 1349 C PRO B 43 14.095 -3.794 -1.131 1.00 0.00 C ATOM 1350 O PRO B 43 14.597 -3.783 -2.258 1.00 0.00 O ATOM 1351 CB PRO B 43 11.938 -2.830 -2.142 1.00 0.00 C ATOM 1352 CG PRO B 43 12.203 -1.350 -2.307 1.00 0.00 C ATOM 1353 CD PRO B 43 12.325 -0.864 -0.867 1.00 0.00 C ATOM 0 HA PRO B 43 12.203 -4.058 -0.361 1.00 0.00 H new ATOM 0 HB2 PRO B 43 12.296 -3.394 -3.004 1.00 0.00 H new ATOM 0 HB3 PRO B 43 10.871 -3.032 -2.050 1.00 0.00 H new ATOM 0 HG2 PRO B 43 13.114 -1.164 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO B 43 11.391 -0.850 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO B 43 13.085 -0.086 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO B 43 11.385 -0.428 -0.527 1.00 0.00 H new ATOM 1361 N SER B 44 14.733 -4.317 -0.090 1.00 0.00 N ATOM 1362 CA SER B 44 16.060 -4.914 -0.142 1.00 0.00 C ATOM 1363 C SER B 44 15.987 -6.372 -0.642 1.00 0.00 C ATOM 1364 O SER B 44 14.935 -6.853 -1.073 1.00 0.00 O ATOM 1365 CB SER B 44 16.679 -4.808 1.259 1.00 0.00 C ATOM 1366 OG SER B 44 16.635 -3.471 1.720 1.00 0.00 O ATOM 0 H SER B 44 14.326 -4.337 0.845 1.00 0.00 H new ATOM 0 HA SER B 44 16.693 -4.383 -0.853 1.00 0.00 H new ATOM 0 HB2 SER B 44 16.140 -5.455 1.951 1.00 0.00 H new ATOM 0 HB3 SER B 44 17.711 -5.157 1.234 1.00 0.00 H new ATOM 0 HG SER B 44 17.032 -3.420 2.615 1.00 0.00 H new ATOM 1372 N GLY B 45 17.120 -7.079 -0.602 1.00 0.00 N ATOM 1373 CA GLY B 45 17.256 -8.471 -1.017 1.00 0.00 C ATOM 1374 C GLY B 45 17.383 -8.636 -2.536 1.00 0.00 C ATOM 1375 O GLY B 45 16.990 -7.737 -3.285 1.00 0.00 O ATOM 0 H GLY B 45 17.997 -6.680 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY B 45 18.133 -8.903 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.391 -9.034 -0.667 1.00 0.00 H new ATOM 1379 N PRO B 46 17.938 -9.771 -2.997 1.00 0.00 N ATOM 1380 CA PRO B 46 18.125 -10.081 -4.412 1.00 0.00 C ATOM 1381 C PRO B 46 16.829 -10.568 -5.078 1.00 0.00 C ATOM 1382 O PRO B 46 15.879 -10.945 -4.390 1.00 0.00 O ATOM 1383 CB PRO B 46 19.171 -11.203 -4.414 1.00 0.00 C ATOM 1384 CG PRO B 46 18.861 -11.963 -3.125 1.00 0.00 C ATOM 1385 CD PRO B 46 18.431 -10.862 -2.164 1.00 0.00 C ATOM 0 HA PRO B 46 18.431 -9.199 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO B 46 19.076 -11.842 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO B 46 20.187 -10.808 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO B 46 18.071 -12.700 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO B 46 19.734 -12.501 -2.756 1.00 0.00 H new ATOM 0 HD2 PRO B 46 17.655 -11.217 -1.486 1.00 0.00 H new ATOM 0 HD3 PRO B 46 19.267 -10.534 -1.547 1.00 0.00 H new ATOM 1393 N SER B 47 16.833 -10.625 -6.411 1.00 0.00 N ATOM 1394 CA SER B 47 15.741 -11.073 -7.264 1.00 0.00 C ATOM 1395 C SER B 47 16.274 -11.942 -8.407 1.00 0.00 C ATOM 1396 O SER B 47 17.484 -11.980 -8.664 1.00 0.00 O ATOM 1397 CB SER B 47 14.962 -9.869 -7.802 1.00 0.00 C ATOM 1398 OG SER B 47 14.392 -9.141 -6.731 1.00 0.00 O ATOM 0 H SER B 47 17.650 -10.342 -6.952 1.00 0.00 H new ATOM 0 HA SER B 47 15.059 -11.682 -6.671 1.00 0.00 H new ATOM 0 HB2 SER B 47 15.626 -9.224 -8.378 1.00 0.00 H new ATOM 0 HB3 SER B 47 14.178 -10.207 -8.480 1.00 0.00 H new ATOM 0 HG SER B 47 13.897 -8.372 -7.085 1.00 0.00 H new ATOM 1404 N SER B 48 15.359 -12.627 -9.092 1.00 0.00 N ATOM 1405 CA SER B 48 15.604 -13.513 -10.217 1.00 0.00 C ATOM 1406 C SER B 48 14.581 -13.195 -11.308 1.00 0.00 C ATOM 1407 O SER B 48 14.937 -12.710 -12.383 1.00 0.00 O ATOM 1408 CB SER B 48 15.524 -14.955 -9.703 1.00 0.00 C ATOM 1409 OG SER B 48 16.030 -15.877 -10.640 1.00 0.00 O ATOM 0 H SER B 48 14.368 -12.571 -8.858 1.00 0.00 H new ATOM 0 HA SER B 48 16.592 -13.377 -10.657 1.00 0.00 H new ATOM 0 HB2 SER B 48 16.084 -15.040 -8.772 1.00 0.00 H new ATOM 0 HB3 SER B 48 14.487 -15.202 -9.475 1.00 0.00 H new ATOM 0 HG SER B 48 15.963 -16.784 -10.275 1.00 0.00 H new ATOM 1415 N GLY B 49 13.306 -13.412 -11.003 1.00 0.00 N ATOM 1416 CA GLY B 49 12.139 -13.207 -11.836 1.00 0.00 C ATOM 1417 C GLY B 49 11.082 -14.090 -11.219 1.00 0.00 C ATOM 1418 O GLY B 49 10.569 -14.994 -11.915 1.00 0.00 O ATOM 0 H GLY B 49 13.046 -13.768 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY B 49 11.831 -12.161 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY B 49 12.335 -13.485 -12.871 1.00 0.00 H new TER 1422 GLY B 49