USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1079 hydrogens (27 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 29 TYR OH : rot 36:sc= -0.542! USER MOD Set 1.2: A 80 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.6) USER MOD Set 1.3: A 97 THR OG1 : rot -94:sc= 0.5 USER MOD Set 2.1: A 54 SER OG : rot 174:sc= 1.12 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.131 K(o=1.3,f=-4.4) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00223 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 162:sc=-0.00883 (180deg=-0.128) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.0218 (180deg=-0.236) USER MOD Single : A 28 GLN : amide:sc= -0.832 K(o=-0.83,f=-6.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.00788 K(o=0.0079,f=-4.8!) USER MOD Single : A 38 SER OG : rot 65:sc= 0.505 USER MOD Single : A 47 ASN : amide:sc= -0.0727 K(o=-0.073,f=-2!) USER MOD Single : A 53 THR OG1 : rot 112:sc= 0.36 USER MOD Single : A 57 CYS SG : rot 57:sc= -0.42 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 65 GLN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.38) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.505 USER MOD Single : A 77 SER OG : rot 173:sc= -0.0432 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -54:sc= -1.13! USER MOD Single : A 89 HIS : no HD1:sc= 0.597 K(o=0.6,f=-4.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0552 X(o=-0.055,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -89:sc= 0.308 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0348) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.5) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -52:sc= 0.881 USER MOD Single : A 124 ASN : amide:sc= 0.259 K(o=0.26,f=-5.2!) USER MOD Single : A 125 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.21) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.703 X(o=-0.7,f=-1.1) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 131 ASN : amide:sc= 0.0812 K(o=0.081,f=-1.4) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 6.945 15.167 -1.524 1.00 23.20 N ATOM 2 CA GLY A 2 6.025 16.251 -1.813 1.00 61.42 C ATOM 3 C GLY A 2 5.476 16.185 -3.224 1.00 33.14 C ATOM 4 O GLY A 2 4.762 17.086 -3.663 1.00 13.20 O ATOM 0 HA2 GLY A 2 5.198 16.221 -1.103 1.00 61.42 H new ATOM 0 HA3 GLY A 2 6.534 17.204 -1.669 1.00 61.42 H new ATOM 8 N ALA A 3 5.812 15.116 -3.939 1.00 72.32 N ATOM 9 CA ALA A 3 5.349 14.936 -5.309 1.00 22.43 C ATOM 10 C ALA A 3 4.070 14.107 -5.351 1.00 41.42 C ATOM 11 O ALA A 3 3.540 13.713 -4.312 1.00 70.50 O ATOM 12 CB ALA A 3 6.433 14.280 -6.151 1.00 13.10 C ATOM 0 H ALA A 3 6.404 14.361 -3.591 1.00 72.32 H new ATOM 0 HA ALA A 3 5.128 15.919 -5.724 1.00 22.43 H new ATOM 0 HB1 ALA A 3 6.073 14.152 -7.172 1.00 13.10 H new ATOM 0 HB2 ALA A 3 7.322 14.911 -6.156 1.00 13.10 H new ATOM 0 HB3 ALA A 3 6.682 13.306 -5.729 1.00 13.10 H new ATOM 18 N ARG A 4 3.577 13.848 -6.558 1.00 14.44 N ATOM 19 CA ARG A 4 2.359 13.067 -6.735 1.00 10.31 C ATOM 20 C ARG A 4 2.681 11.585 -6.900 1.00 41.13 C ATOM 21 O ARG A 4 1.911 10.722 -6.479 1.00 70.13 O ATOM 22 CB ARG A 4 1.578 13.569 -7.952 1.00 15.21 C ATOM 23 CG ARG A 4 0.624 14.709 -7.637 1.00 54.42 C ATOM 24 CD ARG A 4 -0.452 14.845 -8.701 1.00 11.15 C ATOM 25 NE ARG A 4 -1.508 15.771 -8.298 1.00 15.31 N ATOM 26 CZ ARG A 4 -2.717 15.791 -8.847 1.00 11.34 C ATOM 27 NH1 ARG A 4 -3.023 14.941 -9.817 1.00 60.21 N ATOM 28 NH2 ARG A 4 -3.623 16.664 -8.426 1.00 2.41 N ATOM 0 H ARG A 4 4.003 14.168 -7.428 1.00 14.44 H new ATOM 0 HA ARG A 4 1.746 13.190 -5.842 1.00 10.31 H new ATOM 0 HB2 ARG A 4 2.283 13.898 -8.715 1.00 15.21 H new ATOM 0 HB3 ARG A 4 1.012 12.740 -8.377 1.00 15.21 H new ATOM 0 HG2 ARG A 4 0.158 14.537 -6.667 1.00 54.42 H new ATOM 0 HG3 ARG A 4 1.183 15.642 -7.562 1.00 54.42 H new ATOM 0 HD2 ARG A 4 -0.001 15.192 -9.630 1.00 11.15 H new ATOM 0 HD3 ARG A 4 -0.886 13.866 -8.904 1.00 11.15 H new ATOM 0 HE ARG A 4 -1.305 16.439 -7.554 1.00 15.31 H new ATOM 0 HH11 ARG A 4 -2.329 14.269 -10.144 1.00 60.21 H new ATOM 0 HH12 ARG A 4 -3.953 14.959 -10.236 1.00 60.21 H new ATOM 0 HH21 ARG A 4 -3.391 17.320 -7.680 1.00 2.41 H new ATOM 0 HH22 ARG A 4 -4.551 16.679 -8.848 1.00 2.41 H new ATOM 42 N ALA A 5 3.823 11.298 -7.514 1.00 73.12 N ATOM 43 CA ALA A 5 4.248 9.921 -7.733 1.00 52.43 C ATOM 44 C ALA A 5 4.383 9.173 -6.412 1.00 74.41 C ATOM 45 O ALA A 5 4.349 9.775 -5.339 1.00 33.22 O ATOM 46 CB ALA A 5 5.564 9.890 -8.496 1.00 70.41 C ATOM 0 H ALA A 5 4.471 12.001 -7.869 1.00 73.12 H new ATOM 0 HA ALA A 5 3.484 9.421 -8.328 1.00 52.43 H new ATOM 0 HB1 ALA A 5 5.870 8.855 -8.653 1.00 70.41 H new ATOM 0 HB2 ALA A 5 5.437 10.381 -9.461 1.00 70.41 H new ATOM 0 HB3 ALA A 5 6.330 10.412 -7.922 1.00 70.41 H new ATOM 52 N SER A 6 4.536 7.854 -6.497 1.00 41.03 N ATOM 53 CA SER A 6 4.671 7.023 -5.307 1.00 22.40 C ATOM 54 C SER A 6 6.132 6.924 -4.877 1.00 63.55 C ATOM 55 O SER A 6 7.008 7.553 -5.468 1.00 11.20 O ATOM 56 CB SER A 6 4.109 5.624 -5.570 1.00 53.13 C ATOM 57 OG SER A 6 4.681 5.056 -6.736 1.00 63.31 O ATOM 0 H SER A 6 4.569 7.339 -7.377 1.00 41.03 H new ATOM 0 HA SER A 6 4.104 7.489 -4.501 1.00 22.40 H new ATOM 0 HB2 SER A 6 4.309 4.981 -4.713 1.00 53.13 H new ATOM 0 HB3 SER A 6 3.026 5.679 -5.682 1.00 53.13 H new ATOM 0 HG SER A 6 4.307 4.162 -6.882 1.00 63.31 H new ATOM 63 N ARG A 7 6.385 6.128 -3.843 1.00 61.15 N ATOM 64 CA ARG A 7 7.737 5.947 -3.331 1.00 74.55 C ATOM 65 C ARG A 7 8.246 4.538 -3.626 1.00 72.21 C ATOM 66 O ARG A 7 9.451 4.315 -3.754 1.00 52.52 O ATOM 67 CB ARG A 7 7.776 6.209 -1.824 1.00 23.42 C ATOM 68 CG ARG A 7 9.163 6.542 -1.299 1.00 64.25 C ATOM 69 CD ARG A 7 9.321 8.034 -1.051 1.00 22.33 C ATOM 70 NE ARG A 7 10.703 8.394 -0.747 1.00 74.32 N ATOM 71 CZ ARG A 7 11.247 8.267 0.459 1.00 10.05 C ATOM 72 NH1 ARG A 7 10.530 7.791 1.466 1.00 64.52 N ATOM 73 NH2 ARG A 7 12.512 8.616 0.657 1.00 11.03 N ATOM 0 H ARG A 7 5.671 5.598 -3.344 1.00 61.15 H new ATOM 0 HA ARG A 7 8.387 6.663 -3.834 1.00 74.55 H new ATOM 0 HB2 ARG A 7 7.101 7.032 -1.589 1.00 23.42 H new ATOM 0 HB3 ARG A 7 7.400 5.329 -1.301 1.00 23.42 H new ATOM 0 HG2 ARG A 7 9.343 5.997 -0.372 1.00 64.25 H new ATOM 0 HG3 ARG A 7 9.914 6.210 -2.016 1.00 64.25 H new ATOM 0 HD2 ARG A 7 8.988 8.585 -1.930 1.00 22.33 H new ATOM 0 HD3 ARG A 7 8.678 8.334 -0.224 1.00 22.33 H new ATOM 0 HE ARG A 7 11.282 8.763 -1.501 1.00 74.32 H new ATOM 0 HH11 ARG A 7 9.558 7.521 1.317 1.00 64.52 H new ATOM 0 HH12 ARG A 7 10.950 7.695 2.390 1.00 64.52 H new ATOM 0 HH21 ARG A 7 13.067 8.982 -0.117 1.00 11.03 H new ATOM 0 HH22 ARG A 7 12.929 8.518 1.583 1.00 11.03 H new ATOM 87 N LEU A 8 7.321 3.590 -3.733 1.00 44.52 N ATOM 88 CA LEU A 8 7.675 2.204 -4.012 1.00 60.03 C ATOM 89 C LEU A 8 8.242 2.059 -5.420 1.00 2.50 C ATOM 90 O LEU A 8 7.982 2.888 -6.293 1.00 54.01 O ATOM 91 CB LEU A 8 6.450 1.302 -3.848 1.00 71.52 C ATOM 92 CG LEU A 8 5.665 1.465 -2.547 1.00 63.04 C ATOM 93 CD1 LEU A 8 4.400 0.621 -2.576 1.00 12.14 C ATOM 94 CD2 LEU A 8 6.531 1.091 -1.352 1.00 65.12 C ATOM 0 H LEU A 8 6.320 3.757 -3.631 1.00 44.52 H new ATOM 0 HA LEU A 8 8.441 1.900 -3.299 1.00 60.03 H new ATOM 0 HB2 LEU A 8 5.774 1.487 -4.682 1.00 71.52 H new ATOM 0 HB3 LEU A 8 6.775 0.264 -3.925 1.00 71.52 H new ATOM 0 HG LEU A 8 5.376 2.511 -2.448 1.00 63.04 H new ATOM 0 HD11 LEU A 8 3.855 0.750 -1.641 1.00 12.14 H new ATOM 0 HD12 LEU A 8 3.772 0.936 -3.409 1.00 12.14 H new ATOM 0 HD13 LEU A 8 4.666 -0.429 -2.699 1.00 12.14 H new ATOM 0 HD21 LEU A 8 5.956 1.213 -0.434 1.00 65.12 H new ATOM 0 HD22 LEU A 8 6.851 0.053 -1.445 1.00 65.12 H new ATOM 0 HD23 LEU A 8 7.407 1.739 -1.320 1.00 65.12 H new ATOM 106 N SER A 9 9.017 1.000 -5.636 1.00 51.52 N ATOM 107 CA SER A 9 9.622 0.748 -6.937 1.00 13.14 C ATOM 108 C SER A 9 9.421 -0.704 -7.358 1.00 3.11 C ATOM 109 O SER A 9 8.685 -1.452 -6.716 1.00 52.04 O ATOM 110 CB SER A 9 11.116 1.078 -6.901 1.00 2.14 C ATOM 111 OG SER A 9 11.392 2.087 -5.946 1.00 12.31 O ATOM 0 H SER A 9 9.240 0.303 -4.925 1.00 51.52 H new ATOM 0 HA SER A 9 9.132 1.391 -7.668 1.00 13.14 H new ATOM 0 HB2 SER A 9 11.684 0.180 -6.660 1.00 2.14 H new ATOM 0 HB3 SER A 9 11.443 1.407 -7.887 1.00 2.14 H new ATOM 0 HG SER A 9 12.353 2.279 -5.941 1.00 12.31 H new ATOM 117 N GLY A 10 10.079 -1.096 -8.445 1.00 74.03 N ATOM 118 CA GLY A 10 9.960 -2.457 -8.934 1.00 34.23 C ATOM 119 C GLY A 10 10.152 -3.487 -7.838 1.00 54.34 C ATOM 120 O GLY A 10 9.393 -4.449 -7.740 1.00 2.44 O ATOM 0 H GLY A 10 10.692 -0.495 -8.996 1.00 74.03 H new ATOM 0 HA2 GLY A 10 8.978 -2.592 -9.387 1.00 34.23 H new ATOM 0 HA3 GLY A 10 10.699 -2.624 -9.718 1.00 34.23 H new ATOM 124 N GLY A 11 11.173 -3.284 -7.010 1.00 32.41 N ATOM 125 CA GLY A 11 11.446 -4.211 -5.928 1.00 22.41 C ATOM 126 C GLY A 11 10.270 -4.363 -4.984 1.00 41.31 C ATOM 127 O GLY A 11 9.737 -5.459 -4.816 1.00 74.01 O ATOM 0 H GLY A 11 11.815 -2.494 -7.070 1.00 32.41 H new ATOM 0 HA2 GLY A 11 11.702 -5.185 -6.344 1.00 22.41 H new ATOM 0 HA3 GLY A 11 12.315 -3.865 -5.368 1.00 22.41 H new ATOM 131 N GLU A 12 9.864 -3.258 -4.365 1.00 11.30 N ATOM 132 CA GLU A 12 8.745 -3.274 -3.430 1.00 32.13 C ATOM 133 C GLU A 12 7.455 -3.688 -4.133 1.00 50.14 C ATOM 134 O GLU A 12 6.499 -4.127 -3.493 1.00 51.12 O ATOM 135 CB GLU A 12 8.569 -1.897 -2.788 1.00 53.44 C ATOM 136 CG GLU A 12 8.661 -1.916 -1.271 1.00 73.12 C ATOM 137 CD GLU A 12 9.796 -1.059 -0.745 1.00 53.22 C ATOM 138 OE1 GLU A 12 10.967 -1.466 -0.899 1.00 55.30 O ATOM 139 OE2 GLU A 12 9.514 0.017 -0.178 1.00 0.03 O ATOM 0 H GLU A 12 10.293 -2.342 -4.494 1.00 11.30 H new ATOM 0 HA GLU A 12 8.965 -4.005 -2.652 1.00 32.13 H new ATOM 0 HB2 GLU A 12 9.329 -1.222 -3.181 1.00 53.44 H new ATOM 0 HB3 GLU A 12 7.601 -1.491 -3.080 1.00 53.44 H new ATOM 0 HG2 GLU A 12 7.719 -1.564 -0.849 1.00 73.12 H new ATOM 0 HG3 GLU A 12 8.799 -2.943 -0.932 1.00 73.12 H new ATOM 146 N LEU A 13 7.436 -3.545 -5.454 1.00 55.13 N ATOM 147 CA LEU A 13 6.264 -3.903 -6.245 1.00 22.41 C ATOM 148 C LEU A 13 6.039 -5.412 -6.232 1.00 0.22 C ATOM 149 O LEU A 13 4.919 -5.880 -6.025 1.00 50.05 O ATOM 150 CB LEU A 13 6.427 -3.412 -7.685 1.00 73.12 C ATOM 151 CG LEU A 13 5.453 -2.325 -8.137 1.00 12.24 C ATOM 152 CD1 LEU A 13 4.058 -2.900 -8.321 1.00 44.31 C ATOM 153 CD2 LEU A 13 5.432 -1.178 -7.137 1.00 72.10 C ATOM 0 H LEU A 13 8.219 -3.184 -5.999 1.00 55.13 H new ATOM 0 HA LEU A 13 5.394 -3.421 -5.800 1.00 22.41 H new ATOM 0 HB2 LEU A 13 7.443 -3.035 -7.806 1.00 73.12 H new ATOM 0 HB3 LEU A 13 6.322 -4.267 -8.353 1.00 73.12 H new ATOM 0 HG LEU A 13 5.793 -1.937 -9.097 1.00 12.24 H new ATOM 0 HD11 LEU A 13 3.379 -2.111 -8.643 1.00 44.31 H new ATOM 0 HD12 LEU A 13 4.085 -3.686 -9.076 1.00 44.31 H new ATOM 0 HD13 LEU A 13 3.709 -3.316 -7.376 1.00 44.31 H new ATOM 0 HD21 LEU A 13 4.733 -0.413 -7.475 1.00 72.10 H new ATOM 0 HD22 LEU A 13 5.118 -1.551 -6.162 1.00 72.10 H new ATOM 0 HD23 LEU A 13 6.430 -0.747 -7.056 1.00 72.10 H new ATOM 165 N ASP A 14 7.110 -6.166 -6.453 1.00 61.43 N ATOM 166 CA ASP A 14 7.030 -7.622 -6.463 1.00 51.11 C ATOM 167 C ASP A 14 6.259 -8.134 -5.249 1.00 13.42 C ATOM 168 O ASP A 14 5.466 -9.070 -5.353 1.00 14.33 O ATOM 169 CB ASP A 14 8.433 -8.231 -6.486 1.00 42.05 C ATOM 170 CG ASP A 14 8.695 -9.034 -7.744 1.00 74.12 C ATOM 171 OD1 ASP A 14 8.051 -10.088 -7.920 1.00 72.42 O ATOM 172 OD2 ASP A 14 9.547 -8.607 -8.554 1.00 65.23 O ATOM 0 H ASP A 14 8.043 -5.793 -6.628 1.00 61.43 H new ATOM 0 HA ASP A 14 6.496 -7.925 -7.363 1.00 51.11 H new ATOM 0 HB2 ASP A 14 9.173 -7.435 -6.406 1.00 42.05 H new ATOM 0 HB3 ASP A 14 8.561 -8.874 -5.615 1.00 42.05 H new ATOM 177 N LYS A 15 6.498 -7.513 -4.099 1.00 52.30 N ATOM 178 CA LYS A 15 5.827 -7.903 -2.865 1.00 14.34 C ATOM 179 C LYS A 15 4.421 -7.315 -2.801 1.00 61.13 C ATOM 180 O LYS A 15 3.463 -8.012 -2.468 1.00 42.23 O ATOM 181 CB LYS A 15 6.640 -7.444 -1.652 1.00 3.20 C ATOM 182 CG LYS A 15 7.167 -8.589 -0.804 1.00 4.41 C ATOM 183 CD LYS A 15 8.521 -8.258 -0.201 1.00 50.24 C ATOM 184 CE LYS A 15 8.554 -8.553 1.291 1.00 22.13 C ATOM 185 NZ LYS A 15 8.266 -9.985 1.580 1.00 61.13 N ATOM 0 H LYS A 15 7.152 -6.737 -3.996 1.00 52.30 H new ATOM 0 HA LYS A 15 5.748 -8.990 -2.851 1.00 14.34 H new ATOM 0 HB2 LYS A 15 7.480 -6.841 -1.996 1.00 3.20 H new ATOM 0 HB3 LYS A 15 6.018 -6.799 -1.031 1.00 3.20 H new ATOM 0 HG2 LYS A 15 6.457 -8.810 -0.007 1.00 4.41 H new ATOM 0 HG3 LYS A 15 7.250 -9.488 -1.415 1.00 4.41 H new ATOM 0 HD2 LYS A 15 9.296 -8.836 -0.704 1.00 50.24 H new ATOM 0 HD3 LYS A 15 8.748 -7.205 -0.370 1.00 50.24 H new ATOM 0 HE2 LYS A 15 9.534 -8.292 1.691 1.00 22.13 H new ATOM 0 HE3 LYS A 15 7.823 -7.925 1.801 1.00 22.13 H new ATOM 0 HZ1 LYS A 15 8.589 -10.217 2.541 1.00 61.13 H new ATOM 0 HZ2 LYS A 15 7.242 -10.155 1.508 1.00 61.13 H new ATOM 0 HZ3 LYS A 15 8.765 -10.585 0.893 1.00 61.13 H new ATOM 199 N TRP A 16 4.307 -6.032 -3.122 1.00 5.04 N ATOM 200 CA TRP A 16 3.017 -5.352 -3.101 1.00 24.03 C ATOM 201 C TRP A 16 1.994 -6.097 -3.954 1.00 34.12 C ATOM 202 O TRP A 16 0.814 -6.152 -3.615 1.00 3.31 O ATOM 203 CB TRP A 16 3.166 -3.915 -3.603 1.00 55.33 C ATOM 204 CG TRP A 16 1.860 -3.190 -3.730 1.00 22.41 C ATOM 205 CD1 TRP A 16 1.315 -2.678 -4.873 1.00 1.31 C ATOM 206 CD2 TRP A 16 0.937 -2.897 -2.676 1.00 43.10 C ATOM 207 NE1 TRP A 16 0.109 -2.084 -4.593 1.00 60.11 N ATOM 208 CE2 TRP A 16 -0.147 -2.205 -3.252 1.00 32.13 C ATOM 209 CE3 TRP A 16 0.918 -3.153 -1.303 1.00 55.43 C ATOM 210 CZ2 TRP A 16 -1.234 -1.767 -2.501 1.00 61.24 C ATOM 211 CZ3 TRP A 16 -0.161 -2.717 -0.558 1.00 2.31 C ATOM 212 CH2 TRP A 16 -1.225 -2.031 -1.158 1.00 1.33 C ATOM 0 H TRP A 16 5.091 -5.442 -3.400 1.00 5.04 H new ATOM 0 HA TRP A 16 2.661 -5.335 -2.071 1.00 24.03 H new ATOM 0 HB2 TRP A 16 3.814 -3.365 -2.920 1.00 55.33 H new ATOM 0 HB3 TRP A 16 3.662 -3.927 -4.573 1.00 55.33 H new ATOM 0 HD1 TRP A 16 1.766 -2.732 -5.853 1.00 1.31 H new ATOM 0 HE1 TRP A 16 -0.498 -1.627 -5.273 1.00 60.11 H new ATOM 0 HE3 TRP A 16 1.733 -3.683 -0.832 1.00 55.43 H new ATOM 0 HZ2 TRP A 16 -2.055 -1.238 -2.962 1.00 61.24 H new ATOM 0 HZ3 TRP A 16 -0.184 -2.908 0.505 1.00 2.31 H new ATOM 0 HH2 TRP A 16 -2.055 -1.704 -0.549 1.00 1.33 H new ATOM 223 N GLU A 17 2.458 -6.668 -5.062 1.00 1.40 N ATOM 224 CA GLU A 17 1.583 -7.409 -5.962 1.00 50.12 C ATOM 225 C GLU A 17 1.545 -8.888 -5.589 1.00 13.14 C ATOM 226 O GLU A 17 0.850 -9.682 -6.224 1.00 34.23 O ATOM 227 CB GLU A 17 2.050 -7.247 -7.411 1.00 62.12 C ATOM 228 CG GLU A 17 1.808 -5.858 -7.977 1.00 22.23 C ATOM 229 CD GLU A 17 1.623 -5.866 -9.482 1.00 63.32 C ATOM 230 OE1 GLU A 17 0.765 -6.632 -9.970 1.00 61.00 O ATOM 231 OE2 GLU A 17 2.336 -5.108 -10.172 1.00 3.12 O ATOM 0 H GLU A 17 3.434 -6.631 -5.357 1.00 1.40 H new ATOM 0 HA GLU A 17 0.576 -7.003 -5.865 1.00 50.12 H new ATOM 0 HB2 GLU A 17 3.115 -7.473 -7.468 1.00 62.12 H new ATOM 0 HB3 GLU A 17 1.535 -7.979 -8.034 1.00 62.12 H new ATOM 0 HG2 GLU A 17 0.923 -5.428 -7.508 1.00 22.23 H new ATOM 0 HG3 GLU A 17 2.649 -5.214 -7.721 1.00 22.23 H new ATOM 238 N LYS A 18 2.298 -9.251 -4.558 1.00 41.24 N ATOM 239 CA LYS A 18 2.352 -10.633 -4.098 1.00 74.54 C ATOM 240 C LYS A 18 1.181 -10.946 -3.172 1.00 54.14 C ATOM 241 O LYS A 18 0.762 -12.098 -3.053 1.00 43.22 O ATOM 242 CB LYS A 18 3.674 -10.900 -3.374 1.00 63.42 C ATOM 243 CG LYS A 18 4.267 -12.267 -3.675 1.00 0.40 C ATOM 244 CD LYS A 18 5.129 -12.766 -2.527 1.00 42.02 C ATOM 245 CE LYS A 18 5.510 -14.227 -2.711 1.00 41.44 C ATOM 246 NZ LYS A 18 5.324 -15.010 -1.457 1.00 12.21 N ATOM 0 H LYS A 18 2.881 -8.606 -4.024 1.00 41.24 H new ATOM 0 HA LYS A 18 2.285 -11.282 -4.971 1.00 74.54 H new ATOM 0 HB2 LYS A 18 4.394 -10.131 -3.654 1.00 63.42 H new ATOM 0 HB3 LYS A 18 3.515 -10.811 -2.299 1.00 63.42 H new ATOM 0 HG2 LYS A 18 3.464 -12.979 -3.864 1.00 0.40 H new ATOM 0 HG3 LYS A 18 4.866 -12.213 -4.584 1.00 0.40 H new ATOM 0 HD2 LYS A 18 6.032 -12.159 -2.458 1.00 42.02 H new ATOM 0 HD3 LYS A 18 4.591 -12.645 -1.587 1.00 42.02 H new ATOM 0 HE2 LYS A 18 4.904 -14.663 -3.505 1.00 41.44 H new ATOM 0 HE3 LYS A 18 6.550 -14.294 -3.030 1.00 41.44 H new ATOM 0 HZ1 LYS A 18 5.594 -16.000 -1.623 1.00 12.21 H new ATOM 0 HZ2 LYS A 18 5.921 -14.609 -0.706 1.00 12.21 H new ATOM 0 HZ3 LYS A 18 4.326 -14.967 -1.166 1.00 12.21 H new ATOM 260 N ILE A 19 0.657 -9.914 -2.520 1.00 43.13 N ATOM 261 CA ILE A 19 -0.467 -10.078 -1.607 1.00 25.32 C ATOM 262 C ILE A 19 -1.789 -10.130 -2.367 1.00 42.41 C ATOM 263 O ILE A 19 -2.110 -9.223 -3.135 1.00 41.31 O ATOM 264 CB ILE A 19 -0.526 -8.938 -0.574 1.00 42.31 C ATOM 265 CG1 ILE A 19 0.803 -8.833 0.178 1.00 22.52 C ATOM 266 CG2 ILE A 19 -1.675 -9.162 0.398 1.00 2.40 C ATOM 267 CD1 ILE A 19 1.648 -7.654 -0.250 1.00 50.13 C ATOM 0 H ILE A 19 0.993 -8.955 -2.607 1.00 43.13 H new ATOM 0 HA ILE A 19 -0.313 -11.022 -1.084 1.00 25.32 H new ATOM 0 HB ILE A 19 -0.700 -7.999 -1.100 1.00 42.31 H new ATOM 0 HG12 ILE A 19 0.601 -8.756 1.246 1.00 22.52 H new ATOM 0 HG13 ILE A 19 1.371 -9.751 0.026 1.00 22.52 H new ATOM 0 HG21 ILE A 19 -1.703 -8.348 1.122 1.00 2.40 H new ATOM 0 HG22 ILE A 19 -2.616 -9.192 -0.152 1.00 2.40 H new ATOM 0 HG23 ILE A 19 -1.530 -10.107 0.921 1.00 2.40 H new ATOM 0 HD11 ILE A 19 2.574 -7.643 0.324 1.00 50.13 H new ATOM 0 HD12 ILE A 19 1.880 -7.739 -1.312 1.00 50.13 H new ATOM 0 HD13 ILE A 19 1.099 -6.729 -0.072 1.00 50.13 H new ATOM 279 N ARG A 20 -2.551 -11.196 -2.145 1.00 65.12 N ATOM 280 CA ARG A 20 -3.838 -11.366 -2.808 1.00 42.31 C ATOM 281 C ARG A 20 -4.949 -10.672 -2.024 1.00 21.13 C ATOM 282 O ARG A 20 -4.929 -10.641 -0.793 1.00 60.43 O ATOM 283 CB ARG A 20 -4.163 -12.852 -2.966 1.00 4.01 C ATOM 284 CG ARG A 20 -3.443 -13.511 -4.130 1.00 24.53 C ATOM 285 CD ARG A 20 -3.746 -15.001 -4.201 1.00 1.44 C ATOM 286 NE ARG A 20 -2.858 -15.696 -5.129 1.00 54.13 N ATOM 287 CZ ARG A 20 -2.767 -17.019 -5.206 1.00 63.13 C ATOM 288 NH1 ARG A 20 -3.507 -17.785 -4.416 1.00 60.02 N ATOM 289 NH2 ARG A 20 -1.935 -17.579 -6.075 1.00 10.02 N ATOM 0 H ARG A 20 -2.299 -11.955 -1.511 1.00 65.12 H new ATOM 0 HA ARG A 20 -3.773 -10.909 -3.795 1.00 42.31 H new ATOM 0 HB2 ARG A 20 -3.900 -13.373 -2.045 1.00 4.01 H new ATOM 0 HB3 ARG A 20 -5.238 -12.968 -3.102 1.00 4.01 H new ATOM 0 HG2 ARG A 20 -3.743 -13.033 -5.062 1.00 24.53 H new ATOM 0 HG3 ARG A 20 -2.368 -13.362 -4.026 1.00 24.53 H new ATOM 0 HD2 ARG A 20 -3.647 -15.439 -3.208 1.00 1.44 H new ATOM 0 HD3 ARG A 20 -4.781 -15.146 -4.512 1.00 1.44 H new ATOM 0 HE ARG A 20 -2.276 -15.135 -5.752 1.00 54.13 H new ATOM 0 HH11 ARG A 20 -4.148 -17.359 -3.747 1.00 60.02 H new ATOM 0 HH12 ARG A 20 -3.435 -18.801 -4.477 1.00 60.02 H new ATOM 0 HH21 ARG A 20 -1.364 -16.993 -6.685 1.00 10.02 H new ATOM 0 HH22 ARG A 20 -1.866 -18.595 -6.133 1.00 10.02 H new ATOM 303 N LEU A 21 -5.916 -10.116 -2.745 1.00 14.53 N ATOM 304 CA LEU A 21 -7.035 -9.421 -2.118 1.00 23.22 C ATOM 305 C LEU A 21 -7.933 -10.401 -1.369 1.00 30.45 C ATOM 306 O LEU A 21 -8.324 -10.152 -0.229 1.00 64.13 O ATOM 307 CB LEU A 21 -7.850 -8.669 -3.172 1.00 33.13 C ATOM 308 CG LEU A 21 -7.051 -7.801 -4.145 1.00 54.32 C ATOM 309 CD1 LEU A 21 -7.984 -7.004 -5.042 1.00 65.51 C ATOM 310 CD2 LEU A 21 -6.115 -6.871 -3.385 1.00 45.34 C ATOM 0 H LEU A 21 -5.948 -10.133 -3.764 1.00 14.53 H new ATOM 0 HA LEU A 21 -6.631 -8.706 -1.402 1.00 23.22 H new ATOM 0 HB2 LEU A 21 -8.419 -9.397 -3.750 1.00 33.13 H new ATOM 0 HB3 LEU A 21 -8.572 -8.034 -2.659 1.00 33.13 H new ATOM 0 HG LEU A 21 -6.449 -8.456 -4.774 1.00 54.32 H new ATOM 0 HD11 LEU A 21 -7.396 -6.393 -5.727 1.00 65.51 H new ATOM 0 HD12 LEU A 21 -8.612 -7.688 -5.613 1.00 65.51 H new ATOM 0 HD13 LEU A 21 -8.614 -6.359 -4.430 1.00 65.51 H new ATOM 0 HD21 LEU A 21 -5.554 -6.261 -4.093 1.00 45.34 H new ATOM 0 HD22 LEU A 21 -6.698 -6.223 -2.730 1.00 45.34 H new ATOM 0 HD23 LEU A 21 -5.422 -7.462 -2.787 1.00 45.34 H new ATOM 322 N ARG A 22 -8.254 -11.516 -2.018 1.00 2.32 N ATOM 323 CA ARG A 22 -9.105 -12.534 -1.414 1.00 55.24 C ATOM 324 C ARG A 22 -8.276 -13.728 -0.950 1.00 60.53 C ATOM 325 O ARG A 22 -7.151 -13.947 -1.398 1.00 70.50 O ATOM 326 CB ARG A 22 -10.171 -12.994 -2.408 1.00 31.04 C ATOM 327 CG ARG A 22 -11.468 -12.207 -2.319 1.00 4.11 C ATOM 328 CD ARG A 22 -12.680 -13.106 -2.506 1.00 33.11 C ATOM 329 NE ARG A 22 -13.649 -12.532 -3.436 1.00 52.23 N ATOM 330 CZ ARG A 22 -14.698 -13.196 -3.906 1.00 4.14 C ATOM 331 NH1 ARG A 22 -14.914 -14.451 -3.535 1.00 15.33 N ATOM 332 NH2 ARG A 22 -15.536 -12.606 -4.749 1.00 12.20 N ATOM 0 H ARG A 22 -7.937 -11.737 -2.962 1.00 2.32 H new ATOM 0 HA ARG A 22 -9.595 -12.094 -0.546 1.00 55.24 H new ATOM 0 HB2 ARG A 22 -9.773 -12.909 -3.419 1.00 31.04 H new ATOM 0 HB3 ARG A 22 -10.384 -14.049 -2.237 1.00 31.04 H new ATOM 0 HG2 ARG A 22 -11.528 -11.711 -1.350 1.00 4.11 H new ATOM 0 HG3 ARG A 22 -11.473 -11.425 -3.078 1.00 4.11 H new ATOM 0 HD2 ARG A 22 -12.356 -14.079 -2.875 1.00 33.11 H new ATOM 0 HD3 ARG A 22 -13.159 -13.274 -1.541 1.00 33.11 H new ATOM 0 HE ARG A 22 -13.512 -11.568 -3.741 1.00 52.23 H new ATOM 0 HH11 ARG A 22 -14.273 -14.909 -2.887 1.00 15.33 H new ATOM 0 HH12 ARG A 22 -15.721 -14.958 -3.898 1.00 15.33 H new ATOM 0 HH21 ARG A 22 -15.375 -11.641 -5.037 1.00 12.20 H new ATOM 0 HH22 ARG A 22 -16.342 -13.118 -5.109 1.00 12.20 H new ATOM 346 N PRO A 23 -8.844 -14.521 -0.028 1.00 5.42 N ATOM 347 CA PRO A 23 -8.177 -15.707 0.516 1.00 52.23 C ATOM 348 C PRO A 23 -8.052 -16.826 -0.512 1.00 4.22 C ATOM 349 O PRO A 23 -6.975 -17.387 -0.706 1.00 41.34 O ATOM 350 CB PRO A 23 -9.095 -16.135 1.664 1.00 54.10 C ATOM 351 CG PRO A 23 -10.437 -15.603 1.295 1.00 54.00 C ATOM 352 CD PRO A 23 -10.184 -14.321 0.551 1.00 55.53 C ATOM 0 HA PRO A 23 -7.155 -15.492 0.827 1.00 52.23 H new ATOM 0 HB2 PRO A 23 -9.115 -17.220 1.771 1.00 54.10 H new ATOM 0 HB3 PRO A 23 -8.755 -15.727 2.616 1.00 54.10 H new ATOM 0 HG2 PRO A 23 -10.981 -16.314 0.673 1.00 54.00 H new ATOM 0 HG3 PRO A 23 -11.044 -15.426 2.183 1.00 54.00 H new ATOM 0 HD2 PRO A 23 -10.934 -14.150 -0.221 1.00 55.53 H new ATOM 0 HD3 PRO A 23 -10.209 -13.458 1.217 1.00 55.53 H new ATOM 360 N GLY A 24 -9.163 -17.145 -1.169 1.00 72.32 N ATOM 361 CA GLY A 24 -9.156 -18.196 -2.170 1.00 64.21 C ATOM 362 C GLY A 24 -9.336 -17.659 -3.577 1.00 73.05 C ATOM 363 O GLY A 24 -9.774 -18.379 -4.473 1.00 43.04 O ATOM 0 H GLY A 24 -10.067 -16.695 -1.026 1.00 72.32 H new ATOM 0 HA2 GLY A 24 -8.215 -18.743 -2.111 1.00 64.21 H new ATOM 0 HA3 GLY A 24 -9.953 -18.907 -1.951 1.00 64.21 H new ATOM 367 N GLY A 25 -8.997 -16.388 -3.770 1.00 1.42 N ATOM 368 CA GLY A 25 -9.132 -15.775 -5.079 1.00 31.22 C ATOM 369 C GLY A 25 -7.801 -15.628 -5.790 1.00 25.41 C ATOM 370 O GLY A 25 -6.795 -16.197 -5.365 1.00 23.41 O ATOM 0 H GLY A 25 -8.631 -15.772 -3.044 1.00 1.42 H new ATOM 0 HA2 GLY A 25 -9.803 -16.377 -5.691 1.00 31.22 H new ATOM 0 HA3 GLY A 25 -9.593 -14.793 -4.971 1.00 31.22 H new ATOM 374 N LYS A 26 -7.795 -14.865 -6.877 1.00 10.13 N ATOM 375 CA LYS A 26 -6.578 -14.645 -7.651 1.00 43.44 C ATOM 376 C LYS A 26 -6.279 -13.155 -7.781 1.00 52.23 C ATOM 377 O LYS A 26 -5.309 -12.760 -8.428 1.00 32.24 O ATOM 378 CB LYS A 26 -6.712 -15.272 -9.041 1.00 62.44 C ATOM 379 CG LYS A 26 -5.379 -15.542 -9.716 1.00 30.25 C ATOM 380 CD LYS A 26 -5.157 -17.028 -9.938 1.00 73.44 C ATOM 381 CE LYS A 26 -3.755 -17.312 -10.454 1.00 32.22 C ATOM 382 NZ LYS A 26 -3.300 -18.685 -10.100 1.00 2.03 N ATOM 0 H LYS A 26 -8.619 -14.388 -7.243 1.00 10.13 H new ATOM 0 HA LYS A 26 -5.751 -15.120 -7.123 1.00 43.44 H new ATOM 0 HB2 LYS A 26 -7.264 -16.208 -8.957 1.00 62.44 H new ATOM 0 HB3 LYS A 26 -7.303 -14.610 -9.674 1.00 62.44 H new ATOM 0 HG2 LYS A 26 -5.343 -15.021 -10.673 1.00 30.25 H new ATOM 0 HG3 LYS A 26 -4.572 -15.140 -9.103 1.00 30.25 H new ATOM 0 HD2 LYS A 26 -5.317 -17.564 -9.003 1.00 73.44 H new ATOM 0 HD3 LYS A 26 -5.891 -17.404 -10.651 1.00 73.44 H new ATOM 0 HE2 LYS A 26 -3.736 -17.191 -11.537 1.00 32.22 H new ATOM 0 HE3 LYS A 26 -3.061 -16.581 -10.039 1.00 32.22 H new ATOM 0 HZ1 LYS A 26 -2.340 -18.839 -10.470 1.00 2.03 H new ATOM 0 HZ2 LYS A 26 -3.294 -18.793 -9.066 1.00 2.03 H new ATOM 0 HZ3 LYS A 26 -3.948 -19.384 -10.517 1.00 2.03 H new ATOM 396 N LYS A 27 -7.117 -12.331 -7.161 1.00 53.12 N ATOM 397 CA LYS A 27 -6.941 -10.884 -7.204 1.00 31.13 C ATOM 398 C LYS A 27 -5.767 -10.453 -6.330 1.00 2.34 C ATOM 399 O LYS A 27 -5.454 -11.101 -5.332 1.00 34.41 O ATOM 400 CB LYS A 27 -8.220 -10.181 -6.744 1.00 13.31 C ATOM 401 CG LYS A 27 -8.856 -9.313 -7.817 1.00 51.03 C ATOM 402 CD LYS A 27 -10.272 -8.910 -7.440 1.00 71.20 C ATOM 403 CE LYS A 27 -10.827 -7.867 -8.397 1.00 10.34 C ATOM 404 NZ LYS A 27 -10.125 -6.560 -8.262 1.00 20.54 N ATOM 0 H LYS A 27 -7.926 -12.641 -6.622 1.00 53.12 H new ATOM 0 HA LYS A 27 -6.728 -10.598 -8.234 1.00 31.13 H new ATOM 0 HB2 LYS A 27 -8.941 -10.932 -6.421 1.00 13.31 H new ATOM 0 HB3 LYS A 27 -7.993 -9.563 -5.876 1.00 13.31 H new ATOM 0 HG2 LYS A 27 -8.251 -8.419 -7.970 1.00 51.03 H new ATOM 0 HG3 LYS A 27 -8.870 -9.854 -8.763 1.00 51.03 H new ATOM 0 HD2 LYS A 27 -10.916 -9.790 -7.446 1.00 71.20 H new ATOM 0 HD3 LYS A 27 -10.281 -8.515 -6.424 1.00 71.20 H new ATOM 0 HE2 LYS A 27 -10.731 -8.227 -9.421 1.00 10.34 H new ATOM 0 HE3 LYS A 27 -11.891 -7.729 -8.206 1.00 10.34 H new ATOM 0 HZ1 LYS A 27 -10.681 -5.817 -8.731 1.00 20.54 H new ATOM 0 HZ2 LYS A 27 -10.016 -6.327 -7.254 1.00 20.54 H new ATOM 0 HZ3 LYS A 27 -9.187 -6.622 -8.706 1.00 20.54 H new ATOM 418 N GLN A 28 -5.124 -9.353 -6.711 1.00 5.23 N ATOM 419 CA GLN A 28 -3.987 -8.836 -5.961 1.00 2.53 C ATOM 420 C GLN A 28 -4.048 -7.315 -5.860 1.00 42.52 C ATOM 421 O GLN A 28 -5.027 -6.694 -6.276 1.00 61.10 O ATOM 422 CB GLN A 28 -2.676 -9.262 -6.623 1.00 41.11 C ATOM 423 CG GLN A 28 -2.660 -10.718 -7.058 1.00 52.30 C ATOM 424 CD GLN A 28 -2.980 -10.891 -8.530 1.00 73.23 C ATOM 425 OE1 GLN A 28 -4.070 -10.544 -8.985 1.00 41.13 O ATOM 426 NE2 GLN A 28 -2.029 -11.430 -9.283 1.00 72.30 N ATOM 0 H GLN A 28 -5.372 -8.804 -7.534 1.00 5.23 H new ATOM 0 HA GLN A 28 -4.029 -9.251 -4.954 1.00 2.53 H new ATOM 0 HB2 GLN A 28 -2.495 -8.630 -7.492 1.00 41.11 H new ATOM 0 HB3 GLN A 28 -1.855 -9.090 -5.927 1.00 41.11 H new ATOM 0 HG2 GLN A 28 -1.678 -11.144 -6.851 1.00 52.30 H new ATOM 0 HG3 GLN A 28 -3.383 -11.278 -6.465 1.00 52.30 H new ATOM 0 HE21 GLN A 28 -1.140 -11.703 -8.864 1.00 72.30 H new ATOM 0 HE22 GLN A 28 -2.187 -11.571 -10.281 1.00 72.30 H new ATOM 435 N TYR A 29 -2.997 -6.721 -5.304 1.00 24.25 N ATOM 436 CA TYR A 29 -2.933 -5.273 -5.146 1.00 61.10 C ATOM 437 C TYR A 29 -2.165 -4.633 -6.298 1.00 34.14 C ATOM 438 O TYR A 29 -1.281 -5.252 -6.892 1.00 3.31 O ATOM 439 CB TYR A 29 -2.272 -4.914 -3.815 1.00 15.42 C ATOM 440 CG TYR A 29 -3.182 -5.088 -2.620 1.00 31.32 C ATOM 441 CD1 TYR A 29 -4.090 -4.099 -2.263 1.00 75.45 C ATOM 442 CD2 TYR A 29 -3.133 -6.242 -1.848 1.00 23.51 C ATOM 443 CE1 TYR A 29 -4.922 -4.255 -1.171 1.00 53.52 C ATOM 444 CE2 TYR A 29 -3.963 -6.408 -0.756 1.00 41.30 C ATOM 445 CZ TYR A 29 -4.856 -5.410 -0.422 1.00 74.35 C ATOM 446 OH TYR A 29 -5.682 -5.569 0.667 1.00 25.42 O ATOM 0 H TYR A 29 -2.178 -7.220 -4.956 1.00 24.25 H new ATOM 0 HA TYR A 29 -3.952 -4.886 -5.154 1.00 61.10 H new ATOM 0 HB2 TYR A 29 -1.386 -5.535 -3.680 1.00 15.42 H new ATOM 0 HB3 TYR A 29 -1.933 -3.879 -3.855 1.00 15.42 H new ATOM 0 HD1 TYR A 29 -4.146 -3.193 -2.849 1.00 75.45 H new ATOM 0 HD2 TYR A 29 -2.434 -7.023 -2.106 1.00 23.51 H new ATOM 0 HE1 TYR A 29 -5.621 -3.475 -0.906 1.00 53.52 H new ATOM 0 HE2 TYR A 29 -3.913 -7.312 -0.168 1.00 41.30 H new ATOM 0 HH TYR A 29 -6.554 -5.164 0.478 1.00 25.42 H new ATOM 456 N LYS A 30 -2.507 -3.387 -6.608 1.00 23.23 N ATOM 457 CA LYS A 30 -1.850 -2.658 -7.688 1.00 61.45 C ATOM 458 C LYS A 30 -1.694 -1.183 -7.332 1.00 33.20 C ATOM 459 O LYS A 30 -2.171 -0.731 -6.291 1.00 74.42 O ATOM 460 CB LYS A 30 -2.648 -2.800 -8.986 1.00 61.13 C ATOM 461 CG LYS A 30 -1.977 -3.689 -10.019 1.00 41.34 C ATOM 462 CD LYS A 30 -2.559 -5.094 -10.006 1.00 13.32 C ATOM 463 CE LYS A 30 -2.703 -5.648 -11.415 1.00 63.41 C ATOM 464 NZ LYS A 30 -3.811 -6.639 -11.510 1.00 11.02 N ATOM 0 H LYS A 30 -3.236 -2.860 -6.127 1.00 23.23 H new ATOM 0 HA LYS A 30 -0.858 -3.086 -7.831 1.00 61.45 H new ATOM 0 HB2 LYS A 30 -3.633 -3.206 -8.755 1.00 61.13 H new ATOM 0 HB3 LYS A 30 -2.804 -1.811 -9.417 1.00 61.13 H new ATOM 0 HG2 LYS A 30 -2.099 -3.253 -11.010 1.00 41.34 H new ATOM 0 HG3 LYS A 30 -0.906 -3.736 -9.820 1.00 41.34 H new ATOM 0 HD2 LYS A 30 -1.916 -5.750 -9.419 1.00 13.32 H new ATOM 0 HD3 LYS A 30 -3.533 -5.081 -9.517 1.00 13.32 H new ATOM 0 HE2 LYS A 30 -2.887 -4.829 -12.110 1.00 63.41 H new ATOM 0 HE3 LYS A 30 -1.768 -6.119 -11.718 1.00 63.41 H new ATOM 0 HZ1 LYS A 30 -3.877 -6.993 -12.486 1.00 11.02 H new ATOM 0 HZ2 LYS A 30 -3.623 -7.433 -10.865 1.00 11.02 H new ATOM 0 HZ3 LYS A 30 -4.708 -6.183 -11.246 1.00 11.02 H new ATOM 478 N LEU A 31 -1.025 -0.437 -8.204 1.00 22.32 N ATOM 479 CA LEU A 31 -0.807 0.989 -7.983 1.00 63.52 C ATOM 480 C LEU A 31 -2.130 1.711 -7.749 1.00 52.53 C ATOM 481 O LEU A 31 -2.188 2.702 -7.021 1.00 2.03 O ATOM 482 CB LEU A 31 -0.081 1.605 -9.180 1.00 72.31 C ATOM 483 CG LEU A 31 1.447 1.567 -9.130 1.00 62.32 C ATOM 484 CD1 LEU A 31 2.030 1.698 -10.529 1.00 61.52 C ATOM 485 CD2 LEU A 31 1.979 2.667 -8.223 1.00 63.42 C ATOM 0 H LEU A 31 -0.624 -0.795 -9.071 1.00 22.32 H new ATOM 0 HA LEU A 31 -0.189 1.104 -7.093 1.00 63.52 H new ATOM 0 HB2 LEU A 31 -0.408 1.089 -10.083 1.00 72.31 H new ATOM 0 HB3 LEU A 31 -0.396 2.644 -9.275 1.00 72.31 H new ATOM 0 HG LEU A 31 1.754 0.605 -8.719 1.00 62.32 H new ATOM 0 HD11 LEU A 31 3.118 1.669 -10.474 1.00 61.52 H new ATOM 0 HD12 LEU A 31 1.676 0.875 -11.149 1.00 61.52 H new ATOM 0 HD13 LEU A 31 1.714 2.645 -10.968 1.00 61.52 H new ATOM 0 HD21 LEU A 31 3.068 2.624 -8.200 1.00 63.42 H new ATOM 0 HD22 LEU A 31 1.662 3.638 -8.604 1.00 63.42 H new ATOM 0 HD23 LEU A 31 1.589 2.528 -7.215 1.00 63.42 H new ATOM 497 N LYS A 32 -3.191 1.207 -8.369 1.00 63.43 N ATOM 498 CA LYS A 32 -4.515 1.801 -8.227 1.00 53.34 C ATOM 499 C LYS A 32 -4.834 2.073 -6.760 1.00 41.22 C ATOM 500 O LYS A 32 -5.324 3.148 -6.408 1.00 33.54 O ATOM 501 CB LYS A 32 -5.578 0.880 -8.828 1.00 33.03 C ATOM 502 CG LYS A 32 -5.737 1.035 -10.330 1.00 24.53 C ATOM 503 CD LYS A 32 -7.202 1.070 -10.736 1.00 74.01 C ATOM 504 CE LYS A 32 -7.360 1.221 -12.241 1.00 52.31 C ATOM 505 NZ LYS A 32 -8.756 0.950 -12.681 1.00 2.32 N ATOM 0 H LYS A 32 -3.160 0.387 -8.976 1.00 63.43 H new ATOM 0 HA LYS A 32 -4.520 2.749 -8.764 1.00 53.34 H new ATOM 0 HB2 LYS A 32 -5.319 -0.155 -8.603 1.00 33.03 H new ATOM 0 HB3 LYS A 32 -6.535 1.081 -8.347 1.00 33.03 H new ATOM 0 HG2 LYS A 32 -5.246 1.952 -10.656 1.00 24.53 H new ATOM 0 HG3 LYS A 32 -5.238 0.209 -10.837 1.00 24.53 H new ATOM 0 HD2 LYS A 32 -7.694 0.154 -10.408 1.00 74.01 H new ATOM 0 HD3 LYS A 32 -7.701 1.898 -10.232 1.00 74.01 H new ATOM 0 HE2 LYS A 32 -7.075 2.231 -12.537 1.00 52.31 H new ATOM 0 HE3 LYS A 32 -6.680 0.537 -12.748 1.00 52.31 H new ATOM 0 HZ1 LYS A 32 -8.823 1.063 -13.713 1.00 2.32 H new ATOM 0 HZ2 LYS A 32 -9.019 -0.022 -12.421 1.00 2.32 H new ATOM 0 HZ3 LYS A 32 -9.402 1.619 -12.217 1.00 2.32 H new ATOM 519 N HIS A 33 -4.553 1.092 -5.906 1.00 42.51 N ATOM 520 CA HIS A 33 -4.809 1.227 -4.476 1.00 72.43 C ATOM 521 C HIS A 33 -3.836 2.218 -3.842 1.00 32.23 C ATOM 522 O HIS A 33 -4.294 3.012 -3.020 1.00 54.04 O ATOM 523 CB HIS A 33 -4.692 -0.132 -3.785 1.00 11.05 C ATOM 524 CG HIS A 33 -5.450 -1.223 -4.479 1.00 54.42 C ATOM 525 ND1 HIS A 33 -4.835 -2.303 -5.076 1.00 24.14 N ATOM 526 CD2 HIS A 33 -6.779 -1.396 -4.669 1.00 71.33 C ATOM 527 CE1 HIS A 33 -5.754 -3.093 -5.603 1.00 73.42 C ATOM 528 NE2 HIS A 33 -6.941 -2.565 -5.369 1.00 64.35 N ATOM 0 H HIS A 33 -4.149 0.196 -6.180 1.00 42.51 H new ATOM 0 HA HIS A 33 -5.823 1.606 -4.347 1.00 72.43 H new ATOM 0 HB2 HIS A 33 -3.640 -0.412 -3.727 1.00 11.05 H new ATOM 0 HB3 HIS A 33 -5.055 -0.043 -2.761 1.00 11.05 H new ATOM 0 HD2 HIS A 33 -7.565 -0.737 -4.332 1.00 71.33 H new ATOM 0 HE1 HIS A 33 -5.566 -4.014 -6.135 1.00 73.42 H new ATOM 0 HE2 HIS A 33 -7.834 -2.962 -5.661 1.00 64.35 H new ATOM 536 N ILE A 34 -2.554 2.193 -4.189 1.00 72.04 N ATOM 537 CA ILE A 34 -1.589 3.119 -3.611 1.00 54.45 C ATOM 538 C ILE A 34 -2.012 4.567 -3.837 1.00 1.15 C ATOM 539 O ILE A 34 -1.986 5.385 -2.918 1.00 60.15 O ATOM 540 CB ILE A 34 -0.182 2.909 -4.202 1.00 61.04 C ATOM 541 CG1 ILE A 34 0.363 1.537 -3.800 1.00 32.15 C ATOM 542 CG2 ILE A 34 0.756 4.014 -3.741 1.00 52.45 C ATOM 543 CD1 ILE A 34 1.131 0.845 -4.906 1.00 43.24 C ATOM 0 H ILE A 34 -2.160 1.542 -4.868 1.00 72.04 H new ATOM 0 HA ILE A 34 -1.559 2.915 -2.541 1.00 54.45 H new ATOM 0 HB ILE A 34 -0.250 2.948 -5.289 1.00 61.04 H new ATOM 0 HG12 ILE A 34 1.014 1.653 -2.934 1.00 32.15 H new ATOM 0 HG13 ILE A 34 -0.467 0.901 -3.492 1.00 32.15 H new ATOM 0 HG21 ILE A 34 1.746 3.852 -4.167 1.00 52.45 H new ATOM 0 HG22 ILE A 34 0.372 4.979 -4.072 1.00 52.45 H new ATOM 0 HG23 ILE A 34 0.823 4.004 -2.653 1.00 52.45 H new ATOM 0 HD11 ILE A 34 1.488 -0.122 -4.551 1.00 43.24 H new ATOM 0 HD12 ILE A 34 0.477 0.697 -5.766 1.00 43.24 H new ATOM 0 HD13 ILE A 34 1.981 1.461 -5.199 1.00 43.24 H new ATOM 555 N VAL A 35 -2.404 4.877 -5.069 1.00 22.13 N ATOM 556 CA VAL A 35 -2.837 6.225 -5.418 1.00 73.42 C ATOM 557 C VAL A 35 -4.056 6.638 -4.602 1.00 10.32 C ATOM 558 O VAL A 35 -4.008 7.604 -3.841 1.00 55.22 O ATOM 559 CB VAL A 35 -3.173 6.336 -6.917 1.00 11.21 C ATOM 560 CG1 VAL A 35 -3.727 7.716 -7.239 1.00 71.23 C ATOM 561 CG2 VAL A 35 -1.944 6.036 -7.762 1.00 42.41 C ATOM 0 H VAL A 35 -2.431 4.212 -5.842 1.00 22.13 H new ATOM 0 HA VAL A 35 -2.007 6.894 -5.190 1.00 73.42 H new ATOM 0 HB VAL A 35 -3.939 5.598 -7.156 1.00 11.21 H new ATOM 0 HG11 VAL A 35 -3.959 7.776 -8.302 1.00 71.23 H new ATOM 0 HG12 VAL A 35 -4.634 7.888 -6.660 1.00 71.23 H new ATOM 0 HG13 VAL A 35 -2.986 8.474 -6.986 1.00 71.23 H new ATOM 0 HG21 VAL A 35 -2.200 6.119 -8.818 1.00 42.41 H new ATOM 0 HG22 VAL A 35 -1.155 6.749 -7.522 1.00 42.41 H new ATOM 0 HG23 VAL A 35 -1.596 5.025 -7.551 1.00 42.41 H new ATOM 571 N TRP A 36 -5.149 5.901 -4.767 1.00 30.00 N ATOM 572 CA TRP A 36 -6.382 6.192 -4.045 1.00 64.31 C ATOM 573 C TRP A 36 -6.114 6.354 -2.553 1.00 23.22 C ATOM 574 O TRP A 36 -6.622 7.278 -1.919 1.00 12.21 O ATOM 575 CB TRP A 36 -7.406 5.077 -4.274 1.00 54.43 C ATOM 576 CG TRP A 36 -8.710 5.318 -3.577 1.00 62.43 C ATOM 577 CD1 TRP A 36 -9.708 6.162 -3.972 1.00 72.51 C ATOM 578 CD2 TRP A 36 -9.157 4.706 -2.361 1.00 74.04 C ATOM 579 NE1 TRP A 36 -10.749 6.113 -3.076 1.00 75.14 N ATOM 580 CE2 TRP A 36 -10.435 5.227 -2.078 1.00 23.24 C ATOM 581 CE3 TRP A 36 -8.602 3.770 -1.485 1.00 60.24 C ATOM 582 CZ2 TRP A 36 -11.164 4.841 -0.957 1.00 65.10 C ATOM 583 CZ3 TRP A 36 -9.327 3.387 -0.372 1.00 4.22 C ATOM 584 CH2 TRP A 36 -10.597 3.922 -0.116 1.00 21.23 C ATOM 0 H TRP A 36 -5.206 5.098 -5.394 1.00 30.00 H new ATOM 0 HA TRP A 36 -6.785 7.130 -4.426 1.00 64.31 H new ATOM 0 HB2 TRP A 36 -7.587 4.974 -5.344 1.00 54.43 H new ATOM 0 HB3 TRP A 36 -6.987 4.132 -3.929 1.00 54.43 H new ATOM 0 HD1 TRP A 36 -9.683 6.778 -4.859 1.00 72.51 H new ATOM 0 HE1 TRP A 36 -11.614 6.649 -3.143 1.00 75.14 H new ATOM 0 HE3 TRP A 36 -7.624 3.353 -1.674 1.00 60.24 H new ATOM 0 HZ2 TRP A 36 -12.143 5.252 -0.758 1.00 65.10 H new ATOM 0 HZ3 TRP A 36 -8.908 2.664 0.312 1.00 4.22 H new ATOM 0 HH2 TRP A 36 -11.139 3.603 0.762 1.00 21.23 H new ATOM 595 N ALA A 37 -5.315 5.449 -1.997 1.00 33.15 N ATOM 596 CA ALA A 37 -4.978 5.494 -0.580 1.00 14.33 C ATOM 597 C ALA A 37 -4.181 6.750 -0.245 1.00 42.15 C ATOM 598 O ALA A 37 -4.522 7.484 0.683 1.00 23.25 O ATOM 599 CB ALA A 37 -4.197 4.250 -0.184 1.00 63.15 C ATOM 0 H ALA A 37 -4.889 4.675 -2.507 1.00 33.15 H new ATOM 0 HA ALA A 37 -5.907 5.523 -0.011 1.00 14.33 H new ATOM 0 HB1 ALA A 37 -3.952 4.297 0.877 1.00 63.15 H new ATOM 0 HB2 ALA A 37 -4.801 3.364 -0.378 1.00 63.15 H new ATOM 0 HB3 ALA A 37 -3.277 4.197 -0.767 1.00 63.15 H new ATOM 605 N SER A 38 -3.118 6.991 -1.005 1.00 45.41 N ATOM 606 CA SER A 38 -2.269 8.157 -0.785 1.00 5.23 C ATOM 607 C SER A 38 -3.105 9.432 -0.721 1.00 52.32 C ATOM 608 O SER A 38 -2.831 10.326 0.080 1.00 4.40 O ATOM 609 CB SER A 38 -1.228 8.273 -1.899 1.00 74.44 C ATOM 610 OG SER A 38 -0.366 7.148 -1.910 1.00 60.11 O ATOM 0 H SER A 38 -2.824 6.395 -1.779 1.00 45.41 H new ATOM 0 HA SER A 38 -1.758 8.029 0.169 1.00 5.23 H new ATOM 0 HB2 SER A 38 -1.730 8.360 -2.863 1.00 74.44 H new ATOM 0 HB3 SER A 38 -0.643 9.182 -1.761 1.00 74.44 H new ATOM 0 HG SER A 38 -0.880 6.344 -2.136 1.00 60.11 H new ATOM 616 N ARG A 39 -4.124 9.508 -1.569 1.00 21.34 N ATOM 617 CA ARG A 39 -4.999 10.674 -1.611 1.00 64.51 C ATOM 618 C ARG A 39 -6.036 10.614 -0.493 1.00 43.42 C ATOM 619 O ARG A 39 -6.290 11.611 0.184 1.00 65.21 O ATOM 620 CB ARG A 39 -5.701 10.764 -2.967 1.00 32.12 C ATOM 621 CG ARG A 39 -6.558 12.009 -3.128 1.00 53.12 C ATOM 622 CD ARG A 39 -7.178 12.083 -4.514 1.00 1.14 C ATOM 623 NE ARG A 39 -7.104 13.429 -5.076 1.00 60.10 N ATOM 624 CZ ARG A 39 -5.967 14.010 -5.440 1.00 0.35 C ATOM 625 NH1 ARG A 39 -4.815 13.368 -5.304 1.00 61.22 N ATOM 626 NH2 ARG A 39 -5.981 15.239 -5.945 1.00 73.52 N ATOM 0 H ARG A 39 -4.365 8.776 -2.237 1.00 21.34 H new ATOM 0 HA ARG A 39 -4.385 11.563 -1.468 1.00 64.51 H new ATOM 0 HB2 ARG A 39 -4.950 10.745 -3.757 1.00 32.12 H new ATOM 0 HB3 ARG A 39 -6.327 9.882 -3.102 1.00 32.12 H new ATOM 0 HG2 ARG A 39 -7.346 12.009 -2.375 1.00 53.12 H new ATOM 0 HG3 ARG A 39 -5.949 12.896 -2.953 1.00 53.12 H new ATOM 0 HD2 ARG A 39 -6.667 11.385 -5.177 1.00 1.14 H new ATOM 0 HD3 ARG A 39 -8.220 11.769 -4.462 1.00 1.14 H new ATOM 0 HE ARG A 39 -7.972 13.951 -5.195 1.00 60.10 H new ATOM 0 HH11 ARG A 39 -4.800 12.424 -4.918 1.00 61.22 H new ATOM 0 HH12 ARG A 39 -3.944 13.818 -5.585 1.00 61.22 H new ATOM 0 HH21 ARG A 39 -6.865 15.736 -6.053 1.00 73.52 H new ATOM 0 HH22 ARG A 39 -5.108 15.685 -6.225 1.00 73.52 H new ATOM 640 N GLU A 40 -6.631 9.441 -0.305 1.00 32.32 N ATOM 641 CA GLU A 40 -7.641 9.253 0.729 1.00 52.44 C ATOM 642 C GLU A 40 -7.151 9.790 2.072 1.00 4.43 C ATOM 643 O GLU A 40 -7.876 10.499 2.771 1.00 71.11 O ATOM 644 CB GLU A 40 -8.000 7.771 0.861 1.00 55.01 C ATOM 645 CG GLU A 40 -9.432 7.454 0.465 1.00 13.11 C ATOM 646 CD GLU A 40 -9.847 8.144 -0.820 1.00 24.42 C ATOM 647 OE1 GLU A 40 -8.979 8.339 -1.697 1.00 61.14 O ATOM 648 OE2 GLU A 40 -11.040 8.489 -0.949 1.00 4.25 O ATOM 0 H GLU A 40 -6.431 8.606 -0.856 1.00 32.32 H new ATOM 0 HA GLU A 40 -8.531 9.810 0.436 1.00 52.44 H new ATOM 0 HB2 GLU A 40 -7.322 7.185 0.240 1.00 55.01 H new ATOM 0 HB3 GLU A 40 -7.839 7.457 1.892 1.00 55.01 H new ATOM 0 HG2 GLU A 40 -9.542 6.376 0.346 1.00 13.11 H new ATOM 0 HG3 GLU A 40 -10.103 7.757 1.269 1.00 13.11 H new ATOM 655 N LEU A 41 -5.917 9.448 2.424 1.00 42.21 N ATOM 656 CA LEU A 41 -5.328 9.895 3.682 1.00 25.43 C ATOM 657 C LEU A 41 -5.484 11.403 3.851 1.00 23.01 C ATOM 658 O LEU A 41 -5.709 11.893 4.957 1.00 41.11 O ATOM 659 CB LEU A 41 -3.849 9.513 3.739 1.00 53.15 C ATOM 660 CG LEU A 41 -3.515 8.229 4.499 1.00 42.22 C ATOM 661 CD1 LEU A 41 -2.011 8.087 4.672 1.00 62.23 C ATOM 662 CD2 LEU A 41 -4.213 8.214 5.852 1.00 74.23 C ATOM 0 H LEU A 41 -5.304 8.863 1.856 1.00 42.21 H new ATOM 0 HA LEU A 41 -5.856 9.401 4.498 1.00 25.43 H new ATOM 0 HB2 LEU A 41 -3.481 9.413 2.718 1.00 53.15 H new ATOM 0 HB3 LEU A 41 -3.300 10.336 4.197 1.00 53.15 H new ATOM 0 HG LEU A 41 -3.875 7.381 3.917 1.00 42.22 H new ATOM 0 HD11 LEU A 41 -1.792 7.168 5.215 1.00 62.23 H new ATOM 0 HD12 LEU A 41 -1.534 8.052 3.693 1.00 62.23 H new ATOM 0 HD13 LEU A 41 -1.627 8.939 5.233 1.00 62.23 H new ATOM 0 HD21 LEU A 41 -3.964 7.293 6.380 1.00 74.23 H new ATOM 0 HD22 LEU A 41 -3.883 9.070 6.441 1.00 74.23 H new ATOM 0 HD23 LEU A 41 -5.292 8.268 5.706 1.00 74.23 H new ATOM 674 N GLU A 42 -5.365 12.132 2.746 1.00 21.43 N ATOM 675 CA GLU A 42 -5.494 13.584 2.772 1.00 2.03 C ATOM 676 C GLU A 42 -6.877 13.999 3.268 1.00 34.51 C ATOM 677 O GLU A 42 -7.032 15.039 3.907 1.00 15.12 O ATOM 678 CB GLU A 42 -5.244 14.166 1.379 1.00 21.31 C ATOM 679 CG GLU A 42 -4.256 15.320 1.370 1.00 33.12 C ATOM 680 CD GLU A 42 -4.066 15.914 -0.012 1.00 42.11 C ATOM 681 OE1 GLU A 42 -5.056 15.985 -0.770 1.00 64.21 O ATOM 682 OE2 GLU A 42 -2.926 16.309 -0.336 1.00 55.12 O ATOM 0 H GLU A 42 -5.180 11.741 1.822 1.00 21.43 H new ATOM 0 HA GLU A 42 -4.747 13.977 3.461 1.00 2.03 H new ATOM 0 HB2 GLU A 42 -4.873 13.376 0.726 1.00 21.31 H new ATOM 0 HB3 GLU A 42 -6.191 14.507 0.961 1.00 21.31 H new ATOM 0 HG2 GLU A 42 -4.604 16.097 2.051 1.00 33.12 H new ATOM 0 HG3 GLU A 42 -3.294 14.973 1.748 1.00 33.12 H new ATOM 689 N ARG A 43 -7.877 13.177 2.968 1.00 10.03 N ATOM 690 CA ARG A 43 -9.247 13.458 3.381 1.00 11.52 C ATOM 691 C ARG A 43 -9.458 13.094 4.847 1.00 61.33 C ATOM 692 O ARG A 43 -10.361 13.614 5.504 1.00 33.32 O ATOM 693 CB ARG A 43 -10.235 12.687 2.504 1.00 40.15 C ATOM 694 CG ARG A 43 -11.551 13.416 2.284 1.00 12.23 C ATOM 695 CD ARG A 43 -11.354 14.683 1.467 1.00 5.32 C ATOM 696 NE ARG A 43 -12.096 14.645 0.209 1.00 61.23 N ATOM 697 CZ ARG A 43 -11.999 15.578 -0.731 1.00 12.33 C ATOM 698 NH1 ARG A 43 -11.196 16.618 -0.556 1.00 14.42 N ATOM 699 NH2 ARG A 43 -12.705 15.472 -1.848 1.00 25.54 N ATOM 0 H ARG A 43 -7.764 12.311 2.441 1.00 10.03 H new ATOM 0 HA ARG A 43 -9.424 14.527 3.261 1.00 11.52 H new ATOM 0 HB2 ARG A 43 -9.772 12.490 1.537 1.00 40.15 H new ATOM 0 HB3 ARG A 43 -10.438 11.720 2.964 1.00 40.15 H new ATOM 0 HG2 ARG A 43 -12.253 12.757 1.773 1.00 12.23 H new ATOM 0 HG3 ARG A 43 -11.995 13.668 3.247 1.00 12.23 H new ATOM 0 HD2 ARG A 43 -11.676 15.545 2.052 1.00 5.32 H new ATOM 0 HD3 ARG A 43 -10.293 14.818 1.258 1.00 5.32 H new ATOM 0 HE ARG A 43 -12.723 13.858 0.044 1.00 61.23 H new ATOM 0 HH11 ARG A 43 -10.651 16.703 0.302 1.00 14.42 H new ATOM 0 HH12 ARG A 43 -11.123 17.333 -1.279 1.00 14.42 H new ATOM 0 HH21 ARG A 43 -13.324 14.673 -1.986 1.00 25.54 H new ATOM 0 HH22 ARG A 43 -12.629 16.189 -2.569 1.00 25.54 H new ATOM 713 N PHE A 44 -8.621 12.196 5.355 1.00 13.24 N ATOM 714 CA PHE A 44 -8.716 11.760 6.743 1.00 63.10 C ATOM 715 C PHE A 44 -7.834 12.618 7.645 1.00 61.12 C ATOM 716 O PHE A 44 -7.305 12.142 8.648 1.00 52.34 O ATOM 717 CB PHE A 44 -8.313 10.289 6.866 1.00 40.03 C ATOM 718 CG PHE A 44 -9.427 9.333 6.549 1.00 13.11 C ATOM 719 CD1 PHE A 44 -9.641 8.906 5.248 1.00 52.15 C ATOM 720 CD2 PHE A 44 -10.260 8.862 7.551 1.00 23.33 C ATOM 721 CE1 PHE A 44 -10.665 8.026 4.951 1.00 71.04 C ATOM 722 CE2 PHE A 44 -11.285 7.981 7.261 1.00 11.34 C ATOM 723 CZ PHE A 44 -11.489 7.564 5.960 1.00 13.24 C ATOM 0 H PHE A 44 -7.869 11.756 4.826 1.00 13.24 H new ATOM 0 HA PHE A 44 -9.752 11.874 7.063 1.00 63.10 H new ATOM 0 HB2 PHE A 44 -7.475 10.093 6.197 1.00 40.03 H new ATOM 0 HB3 PHE A 44 -7.961 10.101 7.880 1.00 40.03 H new ATOM 0 HD1 PHE A 44 -9.000 9.265 4.456 1.00 52.15 H new ATOM 0 HD2 PHE A 44 -10.107 9.187 8.570 1.00 23.33 H new ATOM 0 HE1 PHE A 44 -10.821 7.700 3.933 1.00 71.04 H new ATOM 0 HE2 PHE A 44 -11.926 7.619 8.051 1.00 11.34 H new ATOM 0 HZ PHE A 44 -12.291 6.878 5.732 1.00 13.24 H new ATOM 733 N ALA A 45 -7.682 13.887 7.279 1.00 73.51 N ATOM 734 CA ALA A 45 -6.865 14.812 8.055 1.00 5.22 C ATOM 735 C ALA A 45 -5.530 14.182 8.434 1.00 54.11 C ATOM 736 O ALA A 45 -4.940 14.522 9.459 1.00 42.32 O ATOM 737 CB ALA A 45 -7.614 15.258 9.302 1.00 42.54 C ATOM 0 H ALA A 45 -8.114 14.297 6.451 1.00 73.51 H new ATOM 0 HA ALA A 45 -6.661 15.685 7.435 1.00 5.22 H new ATOM 0 HB1 ALA A 45 -6.993 15.948 9.872 1.00 42.54 H new ATOM 0 HB2 ALA A 45 -8.539 15.757 9.012 1.00 42.54 H new ATOM 0 HB3 ALA A 45 -7.848 14.389 9.916 1.00 42.54 H new ATOM 743 N VAL A 46 -5.058 13.261 7.600 1.00 55.23 N ATOM 744 CA VAL A 46 -3.791 12.582 7.848 1.00 2.23 C ATOM 745 C VAL A 46 -2.838 12.750 6.669 1.00 71.21 C ATOM 746 O VAL A 46 -3.262 12.772 5.514 1.00 52.32 O ATOM 747 CB VAL A 46 -4.002 11.080 8.115 1.00 15.22 C ATOM 748 CG1 VAL A 46 -2.664 10.363 8.210 1.00 60.13 C ATOM 749 CG2 VAL A 46 -4.819 10.874 9.380 1.00 54.23 C ATOM 0 H VAL A 46 -5.534 12.968 6.747 1.00 55.23 H new ATOM 0 HA VAL A 46 -3.353 13.042 8.734 1.00 2.23 H new ATOM 0 HB VAL A 46 -4.557 10.653 7.279 1.00 15.22 H new ATOM 0 HG11 VAL A 46 -2.832 9.303 8.399 1.00 60.13 H new ATOM 0 HG12 VAL A 46 -2.120 10.483 7.273 1.00 60.13 H new ATOM 0 HG13 VAL A 46 -2.080 10.789 9.026 1.00 60.13 H new ATOM 0 HG21 VAL A 46 -4.958 9.807 9.553 1.00 54.23 H new ATOM 0 HG22 VAL A 46 -4.294 11.314 10.228 1.00 54.23 H new ATOM 0 HG23 VAL A 46 -5.791 11.353 9.267 1.00 54.23 H new ATOM 759 N ASN A 47 -1.549 12.867 6.970 1.00 11.24 N ATOM 760 CA ASN A 47 -0.535 13.033 5.935 1.00 60.30 C ATOM 761 C ASN A 47 -0.276 11.714 5.211 1.00 12.33 C ATOM 762 O ASN A 47 -0.171 10.652 5.823 1.00 52.15 O ATOM 763 CB ASN A 47 0.767 13.555 6.546 1.00 12.23 C ATOM 764 CG ASN A 47 0.736 15.054 6.778 1.00 64.41 C ATOM 765 OD1 ASN A 47 -0.111 15.760 6.229 1.00 40.45 O ATOM 766 ND2 ASN A 47 1.660 15.546 7.594 1.00 72.43 N ATOM 0 H ASN A 47 -1.182 12.850 7.922 1.00 11.24 H new ATOM 0 HA ASN A 47 -0.906 13.759 5.211 1.00 60.30 H new ATOM 0 HB2 ASN A 47 0.950 13.047 7.493 1.00 12.23 H new ATOM 0 HB3 ASN A 47 1.599 13.309 5.886 1.00 12.23 H new ATOM 0 HD21 ASN A 47 1.688 16.547 7.788 1.00 72.43 H new ATOM 0 HD22 ASN A 47 2.342 14.923 8.027 1.00 72.43 H new ATOM 773 N PRO A 48 -0.171 11.783 3.876 1.00 2.42 N ATOM 774 CA PRO A 48 0.078 10.606 3.039 1.00 60.42 C ATOM 775 C PRO A 48 1.488 10.054 3.219 1.00 42.43 C ATOM 776 O PRO A 48 1.823 8.996 2.689 1.00 61.13 O ATOM 777 CB PRO A 48 -0.111 11.136 1.616 1.00 71.21 C ATOM 778 CG PRO A 48 0.177 12.594 1.713 1.00 24.11 C ATOM 779 CD PRO A 48 -0.286 13.017 3.079 1.00 60.14 C ATOM 0 HA PRO A 48 -0.585 9.779 3.292 1.00 60.42 H new ATOM 0 HB2 PRO A 48 0.566 10.644 0.917 1.00 71.21 H new ATOM 0 HB3 PRO A 48 -1.125 10.956 1.258 1.00 71.21 H new ATOM 0 HG2 PRO A 48 1.241 12.791 1.583 1.00 24.11 H new ATOM 0 HG3 PRO A 48 -0.347 13.148 0.934 1.00 24.11 H new ATOM 0 HD2 PRO A 48 0.335 13.816 3.484 1.00 60.14 H new ATOM 0 HD3 PRO A 48 -1.311 13.388 3.059 1.00 60.14 H new ATOM 787 N GLY A 49 2.311 10.779 3.972 1.00 64.22 N ATOM 788 CA GLY A 49 3.675 10.345 4.209 1.00 32.12 C ATOM 789 C GLY A 49 3.763 9.256 5.261 1.00 12.15 C ATOM 790 O GLY A 49 4.855 8.813 5.616 1.00 35.11 O ATOM 0 H GLY A 49 2.057 11.659 4.422 1.00 64.22 H new ATOM 0 HA2 GLY A 49 4.104 9.980 3.276 1.00 32.12 H new ATOM 0 HA3 GLY A 49 4.275 11.199 4.523 1.00 32.12 H new ATOM 794 N LEU A 50 2.610 8.827 5.762 1.00 35.51 N ATOM 795 CA LEU A 50 2.561 7.783 6.781 1.00 54.23 C ATOM 796 C LEU A 50 2.235 6.429 6.159 1.00 41.51 C ATOM 797 O LEU A 50 1.755 5.521 6.840 1.00 12.31 O ATOM 798 CB LEU A 50 1.520 8.132 7.846 1.00 1.41 C ATOM 799 CG LEU A 50 1.585 9.554 8.407 1.00 42.02 C ATOM 800 CD1 LEU A 50 0.326 9.872 9.200 1.00 32.11 C ATOM 801 CD2 LEU A 50 2.822 9.729 9.275 1.00 20.32 C ATOM 0 H LEU A 50 1.697 9.185 5.480 1.00 35.51 H new ATOM 0 HA LEU A 50 3.544 7.719 7.249 1.00 54.23 H new ATOM 0 HB2 LEU A 50 0.528 7.975 7.422 1.00 1.41 H new ATOM 0 HB3 LEU A 50 1.627 7.431 8.674 1.00 1.41 H new ATOM 0 HG LEU A 50 1.650 10.251 7.572 1.00 42.02 H new ATOM 0 HD11 LEU A 50 0.389 10.887 9.592 1.00 32.11 H new ATOM 0 HD12 LEU A 50 -0.545 9.788 8.550 1.00 32.11 H new ATOM 0 HD13 LEU A 50 0.230 9.169 10.028 1.00 32.11 H new ATOM 0 HD21 LEU A 50 2.852 10.746 9.665 1.00 20.32 H new ATOM 0 HD22 LEU A 50 2.787 9.023 10.105 1.00 20.32 H new ATOM 0 HD23 LEU A 50 3.715 9.543 8.678 1.00 20.32 H new ATOM 813 N LEU A 51 2.501 6.299 4.865 1.00 1.43 N ATOM 814 CA LEU A 51 2.238 5.055 4.150 1.00 62.14 C ATOM 815 C LEU A 51 3.538 4.411 3.681 1.00 55.13 C ATOM 816 O LEU A 51 3.547 3.269 3.225 1.00 22.42 O ATOM 817 CB LEU A 51 1.323 5.314 2.953 1.00 71.44 C ATOM 818 CG LEU A 51 -0.018 5.980 3.265 1.00 24.31 C ATOM 819 CD1 LEU A 51 -0.695 6.443 1.984 1.00 11.42 C ATOM 820 CD2 LEU A 51 -0.922 5.025 4.032 1.00 1.11 C ATOM 0 H LEU A 51 2.899 7.040 4.288 1.00 1.43 H new ATOM 0 HA LEU A 51 1.741 4.369 4.836 1.00 62.14 H new ATOM 0 HB2 LEU A 51 1.859 5.940 2.240 1.00 71.44 H new ATOM 0 HB3 LEU A 51 1.127 4.363 2.458 1.00 71.44 H new ATOM 0 HG LEU A 51 0.169 6.854 3.890 1.00 24.31 H new ATOM 0 HD11 LEU A 51 -1.648 6.914 2.226 1.00 11.42 H new ATOM 0 HD12 LEU A 51 -0.054 7.161 1.473 1.00 11.42 H new ATOM 0 HD13 LEU A 51 -0.869 5.585 1.334 1.00 11.42 H new ATOM 0 HD21 LEU A 51 -1.872 5.515 4.246 1.00 1.11 H new ATOM 0 HD22 LEU A 51 -1.101 4.133 3.432 1.00 1.11 H new ATOM 0 HD23 LEU A 51 -0.441 4.742 4.968 1.00 1.11 H new ATOM 832 N GLU A 52 4.636 5.152 3.799 1.00 32.14 N ATOM 833 CA GLU A 52 5.942 4.652 3.387 1.00 53.10 C ATOM 834 C GLU A 52 6.678 4.019 4.565 1.00 34.30 C ATOM 835 O GLU A 52 7.585 3.205 4.381 1.00 42.54 O ATOM 836 CB GLU A 52 6.784 5.785 2.796 1.00 3.25 C ATOM 837 CG GLU A 52 6.861 7.015 3.686 1.00 60.20 C ATOM 838 CD GLU A 52 7.804 8.070 3.142 1.00 22.12 C ATOM 839 OE1 GLU A 52 7.815 8.278 1.911 1.00 34.32 O ATOM 840 OE2 GLU A 52 8.529 8.688 3.948 1.00 52.21 O ATOM 0 H GLU A 52 4.647 6.100 4.176 1.00 32.14 H new ATOM 0 HA GLU A 52 5.786 3.889 2.624 1.00 53.10 H new ATOM 0 HB2 GLU A 52 7.793 5.417 2.610 1.00 3.25 H new ATOM 0 HB3 GLU A 52 6.366 6.071 1.831 1.00 3.25 H new ATOM 0 HG2 GLU A 52 5.865 7.444 3.793 1.00 60.20 H new ATOM 0 HG3 GLU A 52 7.189 6.718 4.682 1.00 60.20 H new ATOM 847 N THR A 53 6.283 4.398 5.776 1.00 5.25 N ATOM 848 CA THR A 53 6.904 3.869 6.984 1.00 1.44 C ATOM 849 C THR A 53 5.961 2.923 7.717 1.00 74.13 C ATOM 850 O THR A 53 4.764 3.183 7.826 1.00 1.31 O ATOM 851 CB THR A 53 7.323 5.002 7.941 1.00 32.12 C ATOM 852 OG1 THR A 53 6.225 5.362 8.785 1.00 64.42 O ATOM 853 CG2 THR A 53 7.792 6.222 7.163 1.00 35.35 C ATOM 0 H THR A 53 5.535 5.070 5.947 1.00 5.25 H new ATOM 0 HA THR A 53 7.792 3.321 6.670 1.00 1.44 H new ATOM 0 HB THR A 53 8.149 4.642 8.554 1.00 32.12 H new ATOM 0 HG1 THR A 53 6.423 5.101 9.709 1.00 64.42 H new ATOM 0 HG21 THR A 53 8.082 7.008 7.860 1.00 35.35 H new ATOM 0 HG22 THR A 53 8.647 5.952 6.544 1.00 35.35 H new ATOM 0 HG23 THR A 53 6.983 6.581 6.527 1.00 35.35 H new ATOM 861 N SER A 54 6.511 1.821 8.222 1.00 1.33 N ATOM 862 CA SER A 54 5.718 0.833 8.943 1.00 13.54 C ATOM 863 C SER A 54 4.984 1.477 10.116 1.00 21.23 C ATOM 864 O SER A 54 3.866 1.087 10.451 1.00 74.53 O ATOM 865 CB SER A 54 6.613 -0.300 9.448 1.00 33.14 C ATOM 866 OG SER A 54 5.893 -1.183 10.290 1.00 31.12 O ATOM 0 H SER A 54 7.502 1.592 8.144 1.00 1.33 H new ATOM 0 HA SER A 54 4.979 0.424 8.254 1.00 13.54 H new ATOM 0 HB2 SER A 54 7.020 -0.852 8.600 1.00 33.14 H new ATOM 0 HB3 SER A 54 7.460 0.117 9.993 1.00 33.14 H new ATOM 0 HG SER A 54 6.458 -1.951 10.518 1.00 31.12 H new ATOM 872 N GLU A 55 5.622 2.465 10.734 1.00 0.43 N ATOM 873 CA GLU A 55 5.030 3.163 11.869 1.00 62.22 C ATOM 874 C GLU A 55 3.853 4.027 11.424 1.00 51.14 C ATOM 875 O GLU A 55 2.928 4.279 12.195 1.00 64.25 O ATOM 876 CB GLU A 55 6.079 4.032 12.566 1.00 50.44 C ATOM 877 CG GLU A 55 6.658 3.399 13.820 1.00 64.42 C ATOM 878 CD GLU A 55 7.477 4.375 14.642 1.00 4.31 C ATOM 879 OE1 GLU A 55 7.084 5.558 14.723 1.00 32.11 O ATOM 880 OE2 GLU A 55 8.509 3.957 15.206 1.00 31.24 O ATOM 0 H GLU A 55 6.548 2.800 10.468 1.00 0.43 H new ATOM 0 HA GLU A 55 4.664 2.414 12.571 1.00 62.22 H new ATOM 0 HB2 GLU A 55 6.889 4.240 11.867 1.00 50.44 H new ATOM 0 HB3 GLU A 55 5.630 4.990 12.827 1.00 50.44 H new ATOM 0 HG2 GLU A 55 5.846 3.006 14.432 1.00 64.42 H new ATOM 0 HG3 GLU A 55 7.284 2.552 13.539 1.00 64.42 H new ATOM 887 N GLY A 56 3.896 4.478 10.174 1.00 72.41 N ATOM 888 CA GLY A 56 2.829 5.308 9.647 1.00 63.22 C ATOM 889 C GLY A 56 1.525 4.550 9.495 1.00 33.31 C ATOM 890 O GLY A 56 0.460 5.056 9.849 1.00 22.21 O ATOM 0 H GLY A 56 4.651 4.283 9.517 1.00 72.41 H new ATOM 0 HA2 GLY A 56 2.675 6.160 10.309 1.00 63.22 H new ATOM 0 HA3 GLY A 56 3.129 5.707 8.678 1.00 63.22 H new ATOM 894 N CYS A 57 1.609 3.334 8.965 1.00 4.22 N ATOM 895 CA CYS A 57 0.426 2.505 8.764 1.00 23.04 C ATOM 896 C CYS A 57 -0.299 2.262 10.083 1.00 13.21 C ATOM 897 O CYS A 57 -1.468 2.616 10.236 1.00 24.11 O ATOM 898 CB CYS A 57 0.816 1.170 8.127 1.00 62.13 C ATOM 899 SG CYS A 57 1.833 1.329 6.641 1.00 52.41 S ATOM 0 H CYS A 57 2.483 2.901 8.667 1.00 4.22 H new ATOM 0 HA CYS A 57 -0.250 3.035 8.093 1.00 23.04 H new ATOM 0 HB2 CYS A 57 1.357 0.573 8.862 1.00 62.13 H new ATOM 0 HB3 CYS A 57 -0.091 0.621 7.876 1.00 62.13 H new ATOM 0 HG CYS A 57 2.911 1.999 6.923 1.00 52.41 H new ATOM 905 N ARG A 58 0.403 1.654 11.034 1.00 52.10 N ATOM 906 CA ARG A 58 -0.174 1.361 12.340 1.00 71.25 C ATOM 907 C ARG A 58 -0.831 2.602 12.936 1.00 64.12 C ATOM 908 O ARG A 58 -1.945 2.538 13.453 1.00 64.25 O ATOM 909 CB ARG A 58 0.903 0.835 13.291 1.00 32.12 C ATOM 910 CG ARG A 58 0.683 -0.606 13.723 1.00 32.13 C ATOM 911 CD ARG A 58 1.783 -1.080 14.661 1.00 51.20 C ATOM 912 NE ARG A 58 1.903 -0.226 15.839 1.00 74.21 N ATOM 913 CZ ARG A 58 1.054 -0.257 16.860 1.00 64.30 C ATOM 914 NH1 ARG A 58 0.027 -1.097 16.846 1.00 4.03 N ATOM 915 NH2 ARG A 58 1.230 0.551 17.897 1.00 64.12 N ATOM 0 H ARG A 58 1.372 1.355 10.924 1.00 52.10 H new ATOM 0 HA ARG A 58 -0.938 0.595 12.207 1.00 71.25 H new ATOM 0 HB2 ARG A 58 1.875 0.915 12.805 1.00 32.12 H new ATOM 0 HB3 ARG A 58 0.936 1.470 14.176 1.00 32.12 H new ATOM 0 HG2 ARG A 58 -0.283 -0.695 14.219 1.00 32.13 H new ATOM 0 HG3 ARG A 58 0.650 -1.250 12.844 1.00 32.13 H new ATOM 0 HD2 ARG A 58 1.576 -2.103 14.975 1.00 51.20 H new ATOM 0 HD3 ARG A 58 2.733 -1.096 14.127 1.00 51.20 H new ATOM 0 HE ARG A 58 2.682 0.431 15.880 1.00 74.21 H new ATOM 0 HH11 ARG A 58 -0.111 -1.720 16.050 1.00 4.03 H new ATOM 0 HH12 ARG A 58 -0.624 -1.120 17.631 1.00 4.03 H new ATOM 0 HH21 ARG A 58 2.019 1.198 17.911 1.00 64.12 H new ATOM 0 HH22 ARG A 58 0.577 0.526 18.680 1.00 64.12 H new ATOM 929 N GLN A 59 -0.133 3.730 12.858 1.00 74.04 N ATOM 930 CA GLN A 59 -0.648 4.985 13.391 1.00 1.34 C ATOM 931 C GLN A 59 -2.000 5.326 12.771 1.00 23.41 C ATOM 932 O GLN A 59 -2.906 5.801 13.457 1.00 33.32 O ATOM 933 CB GLN A 59 0.344 6.120 13.132 1.00 73.31 C ATOM 934 CG GLN A 59 1.306 6.361 14.284 1.00 13.22 C ATOM 935 CD GLN A 59 1.095 7.708 14.948 1.00 72.32 C ATOM 936 OE1 GLN A 59 0.545 7.792 16.046 1.00 2.42 O ATOM 937 NE2 GLN A 59 1.534 8.771 14.284 1.00 73.40 N ATOM 0 H GLN A 59 0.791 3.800 12.431 1.00 74.04 H new ATOM 0 HA GLN A 59 -0.780 4.866 14.466 1.00 1.34 H new ATOM 0 HB2 GLN A 59 0.917 5.893 12.233 1.00 73.31 H new ATOM 0 HB3 GLN A 59 -0.210 7.038 12.934 1.00 73.31 H new ATOM 0 HG2 GLN A 59 1.184 5.571 15.026 1.00 13.22 H new ATOM 0 HG3 GLN A 59 2.330 6.298 13.917 1.00 13.22 H new ATOM 0 HE21 GLN A 59 1.984 8.655 13.376 1.00 73.40 H new ATOM 0 HE22 GLN A 59 1.421 9.703 14.682 1.00 73.40 H new ATOM 946 N ILE A 60 -2.128 5.079 11.472 1.00 41.11 N ATOM 947 CA ILE A 60 -3.369 5.359 10.760 1.00 41.33 C ATOM 948 C ILE A 60 -4.472 4.393 11.180 1.00 5.32 C ATOM 949 O ILE A 60 -5.596 4.805 11.472 1.00 5.11 O ATOM 950 CB ILE A 60 -3.176 5.270 9.235 1.00 44.12 C ATOM 951 CG1 ILE A 60 -2.096 6.251 8.778 1.00 50.11 C ATOM 952 CG2 ILE A 60 -4.490 5.547 8.518 1.00 73.02 C ATOM 953 CD1 ILE A 60 -1.351 5.797 7.542 1.00 35.11 C ATOM 0 H ILE A 60 -1.388 4.686 10.891 1.00 41.11 H new ATOM 0 HA ILE A 60 -3.661 6.376 11.021 1.00 41.33 H new ATOM 0 HB ILE A 60 -2.853 4.260 8.982 1.00 44.12 H new ATOM 0 HG12 ILE A 60 -2.556 7.219 8.580 1.00 50.11 H new ATOM 0 HG13 ILE A 60 -1.383 6.397 9.589 1.00 50.11 H new ATOM 0 HG21 ILE A 60 -4.338 5.481 7.441 1.00 73.02 H new ATOM 0 HG22 ILE A 60 -5.234 4.812 8.825 1.00 73.02 H new ATOM 0 HG23 ILE A 60 -4.840 6.547 8.774 1.00 73.02 H new ATOM 0 HD11 ILE A 60 -0.601 6.541 7.276 1.00 35.11 H new ATOM 0 HD12 ILE A 60 -0.862 4.844 7.742 1.00 35.11 H new ATOM 0 HD13 ILE A 60 -2.053 5.678 6.717 1.00 35.11 H new ATOM 965 N LEU A 61 -4.145 3.106 11.210 1.00 34.33 N ATOM 966 CA LEU A 61 -5.107 2.080 11.596 1.00 2.25 C ATOM 967 C LEU A 61 -5.766 2.424 12.927 1.00 3.40 C ATOM 968 O LEU A 61 -6.936 2.116 13.150 1.00 54.31 O ATOM 969 CB LEU A 61 -4.418 0.717 11.692 1.00 1.02 C ATOM 970 CG LEU A 61 -3.766 0.203 10.408 1.00 32.33 C ATOM 971 CD1 LEU A 61 -2.622 -0.745 10.734 1.00 54.12 C ATOM 972 CD2 LEU A 61 -4.796 -0.484 9.525 1.00 34.50 C ATOM 0 H LEU A 61 -3.220 2.748 10.971 1.00 34.33 H new ATOM 0 HA LEU A 61 -5.881 2.036 10.830 1.00 2.25 H new ATOM 0 HB2 LEU A 61 -3.654 0.772 12.467 1.00 1.02 H new ATOM 0 HB3 LEU A 61 -5.153 -0.017 12.022 1.00 1.02 H new ATOM 0 HG LEU A 61 -3.361 1.055 9.862 1.00 32.33 H new ATOM 0 HD11 LEU A 61 -2.170 -1.101 9.808 1.00 54.12 H new ATOM 0 HD12 LEU A 61 -1.872 -0.220 11.326 1.00 54.12 H new ATOM 0 HD13 LEU A 61 -3.003 -1.594 11.301 1.00 54.12 H new ATOM 0 HD21 LEU A 61 -4.314 -0.843 8.616 1.00 34.50 H new ATOM 0 HD22 LEU A 61 -5.232 -1.327 10.062 1.00 34.50 H new ATOM 0 HD23 LEU A 61 -5.582 0.225 9.263 1.00 34.50 H new ATOM 984 N GLY A 62 -5.006 3.068 13.809 1.00 4.22 N ATOM 985 CA GLY A 62 -5.535 3.446 15.106 1.00 54.55 C ATOM 986 C GLY A 62 -6.554 4.564 15.014 1.00 1.42 C ATOM 987 O GLY A 62 -7.439 4.677 15.862 1.00 31.23 O ATOM 0 H GLY A 62 -4.035 3.334 13.648 1.00 4.22 H new ATOM 0 HA2 GLY A 62 -5.996 2.576 15.574 1.00 54.55 H new ATOM 0 HA3 GLY A 62 -4.715 3.759 15.752 1.00 54.55 H new ATOM 991 N GLN A 63 -6.429 5.394 13.984 1.00 1.15 N ATOM 992 CA GLN A 63 -7.345 6.511 13.786 1.00 22.44 C ATOM 993 C GLN A 63 -8.641 6.042 13.131 1.00 70.24 C ATOM 994 O GLN A 63 -9.633 6.771 13.101 1.00 14.25 O ATOM 995 CB GLN A 63 -6.688 7.592 12.926 1.00 62.24 C ATOM 996 CG GLN A 63 -6.122 8.749 13.732 1.00 53.42 C ATOM 997 CD GLN A 63 -4.703 9.101 13.330 1.00 71.10 C ATOM 998 OE1 GLN A 63 -4.478 9.751 12.309 1.00 63.33 O ATOM 999 NE2 GLN A 63 -3.736 8.672 14.133 1.00 15.33 N ATOM 0 H GLN A 63 -5.702 5.314 13.273 1.00 1.15 H new ATOM 0 HA GLN A 63 -7.583 6.930 14.764 1.00 22.44 H new ATOM 0 HB2 GLN A 63 -5.887 7.142 12.340 1.00 62.24 H new ATOM 0 HB3 GLN A 63 -7.422 7.978 12.218 1.00 62.24 H new ATOM 0 HG2 GLN A 63 -6.760 9.623 13.603 1.00 53.42 H new ATOM 0 HG3 GLN A 63 -6.143 8.493 14.791 1.00 53.42 H new ATOM 0 HE21 GLN A 63 -3.968 8.136 14.969 1.00 15.33 H new ATOM 0 HE22 GLN A 63 -2.762 8.878 13.913 1.00 15.33 H new ATOM 1008 N LEU A 64 -8.626 4.820 12.609 1.00 44.04 N ATOM 1009 CA LEU A 64 -9.800 4.253 11.955 1.00 12.34 C ATOM 1010 C LEU A 64 -10.316 3.038 12.720 1.00 14.34 C ATOM 1011 O LEU A 64 -11.462 2.625 12.546 1.00 20.15 O ATOM 1012 CB LEU A 64 -9.466 3.861 10.516 1.00 23.25 C ATOM 1013 CG LEU A 64 -8.654 4.878 9.714 1.00 33.04 C ATOM 1014 CD1 LEU A 64 -8.260 4.301 8.362 1.00 5.32 C ATOM 1015 CD2 LEU A 64 -9.440 6.169 9.536 1.00 63.53 C ATOM 0 H LEU A 64 -7.814 4.203 12.626 1.00 44.04 H new ATOM 0 HA LEU A 64 -10.583 5.012 11.946 1.00 12.34 H new ATOM 0 HB2 LEU A 64 -8.915 2.921 10.535 1.00 23.25 H new ATOM 0 HB3 LEU A 64 -10.400 3.673 9.986 1.00 23.25 H new ATOM 0 HG LEU A 64 -7.744 5.104 10.269 1.00 33.04 H new ATOM 0 HD11 LEU A 64 -7.683 5.039 7.806 1.00 5.32 H new ATOM 0 HD12 LEU A 64 -7.657 3.405 8.510 1.00 5.32 H new ATOM 0 HD13 LEU A 64 -9.158 4.044 7.800 1.00 5.32 H new ATOM 0 HD21 LEU A 64 -8.846 6.881 8.963 1.00 63.53 H new ATOM 0 HD22 LEU A 64 -10.368 5.960 9.004 1.00 63.53 H new ATOM 0 HD23 LEU A 64 -9.670 6.593 10.514 1.00 63.53 H new ATOM 1027 N GLN A 65 -9.463 2.473 13.567 1.00 33.53 N ATOM 1028 CA GLN A 65 -9.833 1.305 14.359 1.00 11.25 C ATOM 1029 C GLN A 65 -11.127 1.557 15.126 1.00 12.12 C ATOM 1030 O GLN A 65 -12.124 0.854 14.957 1.00 54.33 O ATOM 1031 CB GLN A 65 -8.710 0.946 15.332 1.00 53.31 C ATOM 1032 CG GLN A 65 -9.202 0.290 16.613 1.00 33.22 C ATOM 1033 CD GLN A 65 -8.080 -0.347 17.410 1.00 25.13 C ATOM 1034 OE1 GLN A 65 -8.178 -1.502 17.827 1.00 11.42 O ATOM 1035 NE2 GLN A 65 -7.006 0.403 17.625 1.00 44.00 N ATOM 0 H GLN A 65 -8.511 2.804 13.723 1.00 33.53 H new ATOM 0 HA GLN A 65 -9.993 0.470 13.677 1.00 11.25 H new ATOM 0 HB2 GLN A 65 -8.011 0.274 14.835 1.00 53.31 H new ATOM 0 HB3 GLN A 65 -8.157 1.851 15.586 1.00 53.31 H new ATOM 0 HG2 GLN A 65 -9.703 1.036 17.230 1.00 33.22 H new ATOM 0 HG3 GLN A 65 -9.944 -0.469 16.366 1.00 33.22 H new ATOM 0 HE21 GLN A 65 -6.968 1.355 17.261 1.00 44.00 H new ATOM 0 HE22 GLN A 65 -6.219 0.027 18.154 1.00 44.00 H new ATOM 1044 N PRO A 66 -11.113 2.582 15.989 1.00 55.54 N ATOM 1045 CA PRO A 66 -12.277 2.951 16.800 1.00 61.45 C ATOM 1046 C PRO A 66 -13.404 3.545 15.961 1.00 55.24 C ATOM 1047 O PRO A 66 -14.479 3.850 16.476 1.00 50.45 O ATOM 1048 CB PRO A 66 -11.719 3.999 17.767 1.00 44.11 C ATOM 1049 CG PRO A 66 -10.545 4.580 17.059 1.00 4.33 C ATOM 1050 CD PRO A 66 -9.959 3.463 16.242 1.00 14.02 C ATOM 0 HA PRO A 66 -12.718 2.087 17.296 1.00 61.45 H new ATOM 0 HB2 PRO A 66 -12.462 4.763 17.995 1.00 44.11 H new ATOM 0 HB3 PRO A 66 -11.426 3.547 18.715 1.00 44.11 H new ATOM 0 HG2 PRO A 66 -10.846 5.412 16.423 1.00 4.33 H new ATOM 0 HG3 PRO A 66 -9.815 4.969 17.769 1.00 4.33 H new ATOM 0 HD2 PRO A 66 -9.523 3.831 15.313 1.00 14.02 H new ATOM 0 HD3 PRO A 66 -9.167 2.943 16.782 1.00 14.02 H new ATOM 1058 N SER A 67 -13.149 3.706 14.667 1.00 13.21 N ATOM 1059 CA SER A 67 -14.141 4.268 13.757 1.00 71.23 C ATOM 1060 C SER A 67 -14.716 3.187 12.847 1.00 72.25 C ATOM 1061 O SER A 67 -15.717 3.404 12.163 1.00 34.23 O ATOM 1062 CB SER A 67 -13.517 5.382 12.915 1.00 3.35 C ATOM 1063 OG SER A 67 -13.333 6.559 13.682 1.00 14.52 O ATOM 0 H SER A 67 -12.265 3.456 14.225 1.00 13.21 H new ATOM 0 HA SER A 67 -14.952 4.685 14.354 1.00 71.23 H new ATOM 0 HB2 SER A 67 -12.558 5.049 12.519 1.00 3.35 H new ATOM 0 HB3 SER A 67 -14.157 5.598 12.060 1.00 3.35 H new ATOM 0 HG SER A 67 -12.931 7.255 13.121 1.00 14.52 H new ATOM 1069 N LEU A 68 -14.075 2.023 12.844 1.00 5.11 N ATOM 1070 CA LEU A 68 -14.522 0.907 12.018 1.00 32.13 C ATOM 1071 C LEU A 68 -16.008 0.636 12.226 1.00 65.55 C ATOM 1072 O LEU A 68 -16.692 0.149 11.326 1.00 72.12 O ATOM 1073 CB LEU A 68 -13.713 -0.350 12.343 1.00 10.50 C ATOM 1074 CG LEU A 68 -12.417 -0.536 11.554 1.00 23.54 C ATOM 1075 CD1 LEU A 68 -11.385 -1.277 12.388 1.00 52.15 C ATOM 1076 CD2 LEU A 68 -12.687 -1.280 10.253 1.00 0.30 C ATOM 0 H LEU A 68 -13.245 1.828 13.404 1.00 5.11 H new ATOM 0 HA LEU A 68 -14.363 1.174 10.973 1.00 32.13 H new ATOM 0 HB2 LEU A 68 -13.469 -0.337 13.405 1.00 10.50 H new ATOM 0 HB3 LEU A 68 -14.347 -1.220 12.172 1.00 10.50 H new ATOM 0 HG LEU A 68 -12.018 0.449 11.311 1.00 23.54 H new ATOM 0 HD11 LEU A 68 -10.470 -1.400 11.809 1.00 52.15 H new ATOM 0 HD12 LEU A 68 -11.169 -0.706 13.291 1.00 52.15 H new ATOM 0 HD13 LEU A 68 -11.775 -2.257 12.662 1.00 52.15 H new ATOM 0 HD21 LEU A 68 -11.753 -1.404 9.704 1.00 0.30 H new ATOM 0 HD22 LEU A 68 -13.110 -2.260 10.475 1.00 0.30 H new ATOM 0 HD23 LEU A 68 -13.391 -0.710 9.647 1.00 0.30 H new ATOM 1088 N GLN A 69 -16.502 0.956 13.418 1.00 42.11 N ATOM 1089 CA GLN A 69 -17.909 0.748 13.743 1.00 55.13 C ATOM 1090 C GLN A 69 -18.724 2.007 13.461 1.00 74.54 C ATOM 1091 O GLN A 69 -19.861 1.931 12.994 1.00 75.52 O ATOM 1092 CB GLN A 69 -18.060 0.346 15.211 1.00 64.21 C ATOM 1093 CG GLN A 69 -19.444 -0.177 15.558 1.00 62.14 C ATOM 1094 CD GLN A 69 -19.952 0.350 16.887 1.00 13.02 C ATOM 1095 OE1 GLN A 69 -19.175 0.576 17.815 1.00 11.33 O ATOM 1096 NE2 GLN A 69 -21.260 0.549 16.983 1.00 45.44 N ATOM 0 H GLN A 69 -15.949 1.360 14.174 1.00 42.11 H new ATOM 0 HA GLN A 69 -18.288 -0.057 13.113 1.00 55.13 H new ATOM 0 HB2 GLN A 69 -17.321 -0.420 15.447 1.00 64.21 H new ATOM 0 HB3 GLN A 69 -17.838 1.208 15.840 1.00 64.21 H new ATOM 0 HG2 GLN A 69 -20.142 0.104 14.770 1.00 62.14 H new ATOM 0 HG3 GLN A 69 -19.419 -1.266 15.589 1.00 62.14 H new ATOM 0 HE21 GLN A 69 -21.866 0.348 16.188 1.00 45.44 H new ATOM 0 HE22 GLN A 69 -21.660 0.903 17.852 1.00 45.44 H new ATOM 1105 N THR A 70 -18.137 3.164 13.750 1.00 74.03 N ATOM 1106 CA THR A 70 -18.809 4.438 13.529 1.00 74.35 C ATOM 1107 C THR A 70 -18.314 5.106 12.252 1.00 53.25 C ATOM 1108 O THR A 70 -18.152 6.325 12.201 1.00 32.23 O ATOM 1109 CB THR A 70 -18.595 5.398 14.714 1.00 53.33 C ATOM 1110 OG1 THR A 70 -18.529 4.659 15.939 1.00 65.14 O ATOM 1111 CG2 THR A 70 -19.719 6.420 14.792 1.00 72.22 C ATOM 0 H THR A 70 -17.197 3.245 14.138 1.00 74.03 H new ATOM 0 HA THR A 70 -19.873 4.222 13.433 1.00 74.35 H new ATOM 0 HB THR A 70 -17.654 5.927 14.559 1.00 53.33 H new ATOM 0 HG1 THR A 70 -18.391 5.277 16.687 1.00 65.14 H new ATOM 0 HG21 THR A 70 -19.546 7.087 15.637 1.00 72.22 H new ATOM 0 HG22 THR A 70 -19.747 7.001 13.870 1.00 72.22 H new ATOM 0 HG23 THR A 70 -20.670 5.905 14.925 1.00 72.22 H new ATOM 1119 N GLY A 71 -18.076 4.301 11.221 1.00 43.14 N ATOM 1120 CA GLY A 71 -17.602 4.833 9.957 1.00 10.10 C ATOM 1121 C GLY A 71 -18.201 4.115 8.764 1.00 43.31 C ATOM 1122 O GLY A 71 -18.466 2.914 8.824 1.00 35.44 O ATOM 0 H GLY A 71 -18.203 3.289 11.239 1.00 43.14 H new ATOM 0 HA2 GLY A 71 -17.846 5.894 9.899 1.00 10.10 H new ATOM 0 HA3 GLY A 71 -16.516 4.753 9.917 1.00 10.10 H new ATOM 1126 N SER A 72 -18.417 4.851 7.679 1.00 72.24 N ATOM 1127 CA SER A 72 -18.994 4.278 6.469 1.00 62.31 C ATOM 1128 C SER A 72 -17.977 3.400 5.746 1.00 14.11 C ATOM 1129 O SER A 72 -16.849 3.231 6.207 1.00 63.31 O ATOM 1130 CB SER A 72 -19.481 5.387 5.536 1.00 3.33 C ATOM 1131 OG SER A 72 -18.391 6.112 4.991 1.00 64.52 O ATOM 0 H SER A 72 -18.201 5.846 7.613 1.00 72.24 H new ATOM 0 HA SER A 72 -19.843 3.659 6.759 1.00 62.31 H new ATOM 0 HB2 SER A 72 -20.073 4.954 4.730 1.00 3.33 H new ATOM 0 HB3 SER A 72 -20.136 6.065 6.083 1.00 3.33 H new ATOM 0 HG SER A 72 -18.729 6.814 4.397 1.00 64.52 H new ATOM 1137 N GLU A 73 -18.386 2.843 4.610 1.00 2.45 N ATOM 1138 CA GLU A 73 -17.511 1.983 3.823 1.00 64.51 C ATOM 1139 C GLU A 73 -16.326 2.769 3.271 1.00 4.12 C ATOM 1140 O GLU A 73 -15.352 2.189 2.793 1.00 45.32 O ATOM 1141 CB GLU A 73 -18.291 1.340 2.674 1.00 30.55 C ATOM 1142 CG GLU A 73 -19.065 2.338 1.829 1.00 50.33 C ATOM 1143 CD GLU A 73 -19.091 1.964 0.361 1.00 21.14 C ATOM 1144 OE1 GLU A 73 -18.108 2.270 -0.347 1.00 70.45 O ATOM 1145 OE2 GLU A 73 -20.094 1.367 -0.083 1.00 61.24 O ATOM 0 H GLU A 73 -19.317 2.972 4.215 1.00 2.45 H new ATOM 0 HA GLU A 73 -17.130 1.199 4.478 1.00 64.51 H new ATOM 0 HB2 GLU A 73 -17.596 0.797 2.034 1.00 30.55 H new ATOM 0 HB3 GLU A 73 -18.986 0.607 3.084 1.00 30.55 H new ATOM 0 HG2 GLU A 73 -20.087 2.407 2.200 1.00 50.33 H new ATOM 0 HG3 GLU A 73 -18.618 3.326 1.940 1.00 50.33 H new ATOM 1152 N GLU A 74 -16.419 4.093 3.340 1.00 0.34 N ATOM 1153 CA GLU A 74 -15.355 4.960 2.846 1.00 3.42 C ATOM 1154 C GLU A 74 -14.111 4.848 3.723 1.00 31.32 C ATOM 1155 O GLU A 74 -13.028 5.297 3.344 1.00 43.31 O ATOM 1156 CB GLU A 74 -15.831 6.414 2.800 1.00 21.42 C ATOM 1157 CG GLU A 74 -16.235 6.878 1.410 1.00 71.42 C ATOM 1158 CD GLU A 74 -17.728 6.763 1.169 1.00 3.13 C ATOM 1159 OE1 GLU A 74 -18.390 5.992 1.894 1.00 74.52 O ATOM 1160 OE2 GLU A 74 -18.234 7.446 0.254 1.00 34.33 O ATOM 0 H GLU A 74 -17.219 4.589 3.733 1.00 0.34 H new ATOM 0 HA GLU A 74 -15.098 4.638 1.837 1.00 3.42 H new ATOM 0 HB2 GLU A 74 -16.680 6.531 3.474 1.00 21.42 H new ATOM 0 HB3 GLU A 74 -15.036 7.060 3.173 1.00 21.42 H new ATOM 0 HG2 GLU A 74 -15.927 7.915 1.273 1.00 71.42 H new ATOM 0 HG3 GLU A 74 -15.704 6.287 0.665 1.00 71.42 H new ATOM 1167 N LEU A 75 -14.274 4.248 4.896 1.00 62.35 N ATOM 1168 CA LEU A 75 -13.165 4.076 5.828 1.00 12.42 C ATOM 1169 C LEU A 75 -12.690 2.627 5.850 1.00 22.02 C ATOM 1170 O LEU A 75 -11.504 2.355 6.033 1.00 20.24 O ATOM 1171 CB LEU A 75 -13.583 4.508 7.234 1.00 50.54 C ATOM 1172 CG LEU A 75 -12.691 4.026 8.379 1.00 70.11 C ATOM 1173 CD1 LEU A 75 -12.611 5.078 9.473 1.00 43.11 C ATOM 1174 CD2 LEU A 75 -13.209 2.709 8.939 1.00 20.41 C ATOM 0 H LEU A 75 -15.163 3.872 5.225 1.00 62.35 H new ATOM 0 HA LEU A 75 -12.340 4.704 5.491 1.00 12.42 H new ATOM 0 HB2 LEU A 75 -13.619 5.597 7.262 1.00 50.54 H new ATOM 0 HB3 LEU A 75 -14.597 4.151 7.415 1.00 50.54 H new ATOM 0 HG LEU A 75 -11.687 3.862 7.988 1.00 70.11 H new ATOM 0 HD11 LEU A 75 -11.972 4.717 10.279 1.00 43.11 H new ATOM 0 HD12 LEU A 75 -12.194 5.998 9.063 1.00 43.11 H new ATOM 0 HD13 LEU A 75 -13.610 5.275 9.862 1.00 43.11 H new ATOM 0 HD21 LEU A 75 -12.563 2.380 9.753 1.00 20.41 H new ATOM 0 HD22 LEU A 75 -14.223 2.847 9.314 1.00 20.41 H new ATOM 0 HD23 LEU A 75 -13.213 1.955 8.152 1.00 20.41 H new ATOM 1186 N ARG A 76 -13.625 1.701 5.659 1.00 53.44 N ATOM 1187 CA ARG A 76 -13.302 0.279 5.656 1.00 30.22 C ATOM 1188 C ARG A 76 -12.268 -0.042 4.580 1.00 40.41 C ATOM 1189 O ARG A 76 -11.302 -0.762 4.828 1.00 20.10 O ATOM 1190 CB ARG A 76 -14.566 -0.552 5.428 1.00 13.04 C ATOM 1191 CG ARG A 76 -15.149 -1.135 6.704 1.00 61.43 C ATOM 1192 CD ARG A 76 -15.062 -2.654 6.713 1.00 71.44 C ATOM 1193 NE ARG A 76 -13.697 -3.123 6.932 1.00 52.12 N ATOM 1194 CZ ARG A 76 -13.354 -4.407 6.950 1.00 41.33 C ATOM 1195 NH1 ARG A 76 -14.273 -5.344 6.761 1.00 72.12 N ATOM 1196 NH2 ARG A 76 -12.090 -4.754 7.157 1.00 30.33 N ATOM 0 H ARG A 76 -14.611 1.910 5.504 1.00 53.44 H new ATOM 0 HA ARG A 76 -12.879 0.026 6.628 1.00 30.22 H new ATOM 0 HB2 ARG A 76 -15.319 0.072 4.946 1.00 13.04 H new ATOM 0 HB3 ARG A 76 -14.337 -1.365 4.739 1.00 13.04 H new ATOM 0 HG2 ARG A 76 -14.615 -0.734 7.566 1.00 61.43 H new ATOM 0 HG3 ARG A 76 -16.190 -0.828 6.803 1.00 61.43 H new ATOM 0 HD2 ARG A 76 -15.711 -3.050 7.494 1.00 71.44 H new ATOM 0 HD3 ARG A 76 -15.431 -3.044 5.764 1.00 71.44 H new ATOM 0 HE ARG A 76 -12.966 -2.427 7.079 1.00 52.12 H new ATOM 0 HH11 ARG A 76 -15.245 -5.080 6.601 1.00 72.12 H new ATOM 0 HH12 ARG A 76 -14.008 -6.329 6.775 1.00 72.12 H new ATOM 0 HH21 ARG A 76 -11.381 -4.035 7.302 1.00 30.33 H new ATOM 0 HH22 ARG A 76 -11.827 -5.740 7.171 1.00 30.33 H new ATOM 1210 N SER A 77 -12.480 0.499 3.385 1.00 12.14 N ATOM 1211 CA SER A 77 -11.569 0.268 2.269 1.00 21.41 C ATOM 1212 C SER A 77 -10.132 0.595 2.664 1.00 45.42 C ATOM 1213 O SER A 77 -9.211 -0.176 2.393 1.00 33.33 O ATOM 1214 CB SER A 77 -11.983 1.112 1.062 1.00 15.03 C ATOM 1215 OG SER A 77 -12.796 2.204 1.457 1.00 32.34 O ATOM 0 H SER A 77 -13.274 1.100 3.164 1.00 12.14 H new ATOM 0 HA SER A 77 -11.622 -0.787 2.001 1.00 21.41 H new ATOM 0 HB2 SER A 77 -11.094 1.483 0.551 1.00 15.03 H new ATOM 0 HB3 SER A 77 -12.525 0.491 0.349 1.00 15.03 H new ATOM 0 HG SER A 77 -12.953 2.790 0.687 1.00 32.34 H new ATOM 1221 N LEU A 78 -9.949 1.744 3.306 1.00 71.32 N ATOM 1222 CA LEU A 78 -8.623 2.174 3.739 1.00 4.41 C ATOM 1223 C LEU A 78 -7.993 1.143 4.670 1.00 14.23 C ATOM 1224 O LEU A 78 -6.889 0.658 4.418 1.00 41.10 O ATOM 1225 CB LEU A 78 -8.712 3.528 4.445 1.00 41.54 C ATOM 1226 CG LEU A 78 -8.211 4.734 3.649 1.00 41.45 C ATOM 1227 CD1 LEU A 78 -6.782 4.507 3.180 1.00 61.04 C ATOM 1228 CD2 LEU A 78 -9.126 5.009 2.465 1.00 34.22 C ATOM 0 H LEU A 78 -10.700 2.394 3.538 1.00 71.32 H new ATOM 0 HA LEU A 78 -7.992 2.271 2.855 1.00 4.41 H new ATOM 0 HB2 LEU A 78 -9.752 3.705 4.718 1.00 41.54 H new ATOM 0 HB3 LEU A 78 -8.144 3.469 5.373 1.00 41.54 H new ATOM 0 HG LEU A 78 -8.223 5.607 4.302 1.00 41.45 H new ATOM 0 HD11 LEU A 78 -6.442 5.375 2.615 1.00 61.04 H new ATOM 0 HD12 LEU A 78 -6.134 4.360 4.044 1.00 61.04 H new ATOM 0 HD13 LEU A 78 -6.744 3.623 2.544 1.00 61.04 H new ATOM 0 HD21 LEU A 78 -8.754 5.870 1.910 1.00 34.22 H new ATOM 0 HD22 LEU A 78 -9.147 4.137 1.811 1.00 34.22 H new ATOM 0 HD23 LEU A 78 -10.134 5.217 2.825 1.00 34.22 H new ATOM 1240 N TYR A 79 -8.702 0.810 5.743 1.00 54.33 N ATOM 1241 CA TYR A 79 -8.211 -0.163 6.711 1.00 34.53 C ATOM 1242 C TYR A 79 -7.659 -1.399 6.008 1.00 71.41 C ATOM 1243 O TYR A 79 -6.553 -1.853 6.303 1.00 4.13 O ATOM 1244 CB TYR A 79 -9.330 -0.566 7.672 1.00 25.51 C ATOM 1245 CG TYR A 79 -8.837 -0.963 9.045 1.00 11.22 C ATOM 1246 CD1 TYR A 79 -8.214 -0.037 9.874 1.00 65.43 C ATOM 1247 CD2 TYR A 79 -8.991 -2.262 9.512 1.00 41.33 C ATOM 1248 CE1 TYR A 79 -7.761 -0.395 11.130 1.00 21.14 C ATOM 1249 CE2 TYR A 79 -8.543 -2.628 10.767 1.00 13.40 C ATOM 1250 CZ TYR A 79 -7.927 -1.691 11.571 1.00 4.33 C ATOM 1251 OH TYR A 79 -7.478 -2.052 12.821 1.00 13.41 O ATOM 0 H TYR A 79 -9.618 1.200 5.964 1.00 54.33 H new ATOM 0 HA TYR A 79 -7.404 0.301 7.278 1.00 34.53 H new ATOM 0 HB2 TYR A 79 -10.028 0.265 7.772 1.00 25.51 H new ATOM 0 HB3 TYR A 79 -9.886 -1.398 7.240 1.00 25.51 H new ATOM 0 HD1 TYR A 79 -8.082 0.979 9.531 1.00 65.43 H new ATOM 0 HD2 TYR A 79 -9.469 -2.999 8.883 1.00 41.33 H new ATOM 0 HE1 TYR A 79 -7.280 0.336 11.762 1.00 21.14 H new ATOM 0 HE2 TYR A 79 -8.674 -3.641 11.116 1.00 13.40 H new ATOM 0 HH TYR A 79 -7.673 -2.999 12.978 1.00 13.41 H new ATOM 1261 N ASN A 80 -8.437 -1.939 5.075 1.00 51.42 N ATOM 1262 CA ASN A 80 -8.027 -3.123 4.329 1.00 71.21 C ATOM 1263 C ASN A 80 -6.614 -2.956 3.777 1.00 5.12 C ATOM 1264 O ASN A 80 -5.678 -3.624 4.219 1.00 64.13 O ATOM 1265 CB ASN A 80 -9.005 -3.394 3.185 1.00 1.42 C ATOM 1266 CG ASN A 80 -8.365 -4.170 2.049 1.00 2.41 C ATOM 1267 OD1 ASN A 80 -7.651 -5.146 2.275 1.00 33.35 O ATOM 1268 ND2 ASN A 80 -8.620 -3.736 0.820 1.00 63.31 N ATOM 0 H ASN A 80 -9.355 -1.575 4.818 1.00 51.42 H new ATOM 0 HA ASN A 80 -8.033 -3.973 5.012 1.00 71.21 H new ATOM 0 HB2 ASN A 80 -9.860 -3.952 3.566 1.00 1.42 H new ATOM 0 HB3 ASN A 80 -9.387 -2.446 2.805 1.00 1.42 H new ATOM 0 HD21 ASN A 80 -8.218 -4.217 0.016 1.00 63.31 H new ATOM 0 HD22 ASN A 80 -9.218 -2.922 0.681 1.00 63.31 H new ATOM 1275 N THR A 81 -6.465 -2.058 2.807 1.00 45.33 N ATOM 1276 CA THR A 81 -5.169 -1.803 2.195 1.00 30.30 C ATOM 1277 C THR A 81 -4.119 -1.469 3.249 1.00 34.25 C ATOM 1278 O THR A 81 -3.074 -2.118 3.324 1.00 24.52 O ATOM 1279 CB THR A 81 -5.245 -0.648 1.178 1.00 53.13 C ATOM 1280 OG1 THR A 81 -6.111 -1.003 0.096 1.00 65.33 O ATOM 1281 CG2 THR A 81 -3.864 -0.309 0.640 1.00 34.45 C ATOM 0 H THR A 81 -7.228 -1.496 2.429 1.00 45.33 H new ATOM 0 HA THR A 81 -4.880 -2.716 1.675 1.00 30.30 H new ATOM 0 HB THR A 81 -5.644 0.229 1.688 1.00 53.13 H new ATOM 0 HG1 THR A 81 -6.155 -0.263 -0.545 1.00 65.33 H new ATOM 0 HG21 THR A 81 -3.943 0.509 -0.076 1.00 34.45 H new ATOM 0 HG22 THR A 81 -3.216 -0.009 1.464 1.00 34.45 H new ATOM 0 HG23 THR A 81 -3.441 -1.184 0.146 1.00 34.45 H new ATOM 1289 N ILE A 82 -4.402 -0.455 4.058 1.00 71.25 N ATOM 1290 CA ILE A 82 -3.481 -0.038 5.109 1.00 61.13 C ATOM 1291 C ILE A 82 -2.894 -1.242 5.835 1.00 75.45 C ATOM 1292 O ILE A 82 -1.690 -1.303 6.086 1.00 2.42 O ATOM 1293 CB ILE A 82 -4.176 0.877 6.135 1.00 44.43 C ATOM 1294 CG1 ILE A 82 -4.644 2.169 5.464 1.00 3.02 C ATOM 1295 CG2 ILE A 82 -3.236 1.185 7.292 1.00 1.41 C ATOM 1296 CD1 ILE A 82 -5.748 2.877 6.218 1.00 51.24 C ATOM 0 H ILE A 82 -5.261 0.093 4.007 1.00 71.25 H new ATOM 0 HA ILE A 82 -2.678 0.517 4.623 1.00 61.13 H new ATOM 0 HB ILE A 82 -5.049 0.358 6.530 1.00 44.43 H new ATOM 0 HG12 ILE A 82 -3.794 2.844 5.362 1.00 3.02 H new ATOM 0 HG13 ILE A 82 -4.992 1.940 4.457 1.00 3.02 H new ATOM 0 HG21 ILE A 82 -3.741 1.832 8.009 1.00 1.41 H new ATOM 0 HG22 ILE A 82 -2.947 0.256 7.783 1.00 1.41 H new ATOM 0 HG23 ILE A 82 -2.346 1.688 6.914 1.00 1.41 H new ATOM 0 HD11 ILE A 82 -6.029 3.785 5.684 1.00 51.24 H new ATOM 0 HD12 ILE A 82 -6.614 2.220 6.298 1.00 51.24 H new ATOM 0 HD13 ILE A 82 -5.397 3.138 7.217 1.00 51.24 H new ATOM 1308 N ALA A 83 -3.751 -2.202 6.169 1.00 15.40 N ATOM 1309 CA ALA A 83 -3.315 -3.407 6.863 1.00 71.32 C ATOM 1310 C ALA A 83 -2.206 -4.116 6.092 1.00 4.24 C ATOM 1311 O ALA A 83 -1.179 -4.487 6.660 1.00 44.31 O ATOM 1312 CB ALA A 83 -4.493 -4.346 7.079 1.00 51.12 C ATOM 0 H ALA A 83 -4.751 -2.168 5.970 1.00 15.40 H new ATOM 0 HA ALA A 83 -2.915 -3.112 7.833 1.00 71.32 H new ATOM 0 HB1 ALA A 83 -4.153 -5.242 7.598 1.00 51.12 H new ATOM 0 HB2 ALA A 83 -5.253 -3.845 7.679 1.00 51.12 H new ATOM 0 HB3 ALA A 83 -4.918 -4.625 6.115 1.00 51.12 H new ATOM 1318 N VAL A 84 -2.422 -4.300 4.793 1.00 71.53 N ATOM 1319 CA VAL A 84 -1.440 -4.964 3.943 1.00 22.22 C ATOM 1320 C VAL A 84 -0.144 -4.164 3.871 1.00 41.21 C ATOM 1321 O VAL A 84 0.932 -4.676 4.182 1.00 13.44 O ATOM 1322 CB VAL A 84 -1.983 -5.171 2.516 1.00 34.32 C ATOM 1323 CG1 VAL A 84 -1.032 -6.038 1.703 1.00 52.54 C ATOM 1324 CG2 VAL A 84 -3.373 -5.786 2.559 1.00 13.34 C ATOM 0 H VAL A 84 -3.267 -3.999 4.307 1.00 71.53 H new ATOM 0 HA VAL A 84 -1.238 -5.936 4.392 1.00 22.22 H new ATOM 0 HB VAL A 84 -2.056 -4.198 2.029 1.00 34.32 H new ATOM 0 HG11 VAL A 84 -1.432 -6.173 0.698 1.00 52.54 H new ATOM 0 HG12 VAL A 84 -0.058 -5.553 1.643 1.00 52.54 H new ATOM 0 HG13 VAL A 84 -0.924 -7.010 2.184 1.00 52.54 H new ATOM 0 HG21 VAL A 84 -3.741 -5.925 1.542 1.00 13.34 H new ATOM 0 HG22 VAL A 84 -3.328 -6.751 3.064 1.00 13.34 H new ATOM 0 HG23 VAL A 84 -4.047 -5.123 3.101 1.00 13.34 H new ATOM 1334 N LEU A 85 -0.254 -2.906 3.462 1.00 5.44 N ATOM 1335 CA LEU A 85 0.909 -2.033 3.349 1.00 51.50 C ATOM 1336 C LEU A 85 1.806 -2.161 4.576 1.00 45.33 C ATOM 1337 O LEU A 85 3.032 -2.111 4.470 1.00 23.11 O ATOM 1338 CB LEU A 85 0.465 -0.578 3.178 1.00 74.42 C ATOM 1339 CG LEU A 85 1.582 0.466 3.154 1.00 61.33 C ATOM 1340 CD1 LEU A 85 2.524 0.213 1.988 1.00 14.34 C ATOM 1341 CD2 LEU A 85 0.999 1.869 3.078 1.00 23.03 C ATOM 0 H LEU A 85 -1.137 -2.467 3.203 1.00 5.44 H new ATOM 0 HA LEU A 85 1.478 -2.339 2.471 1.00 51.50 H new ATOM 0 HB2 LEU A 85 -0.100 -0.498 2.249 1.00 74.42 H new ATOM 0 HB3 LEU A 85 -0.219 -0.330 3.989 1.00 74.42 H new ATOM 0 HG LEU A 85 2.152 0.382 4.079 1.00 61.33 H new ATOM 0 HD11 LEU A 85 3.312 0.966 1.987 1.00 14.34 H new ATOM 0 HD12 LEU A 85 2.968 -0.777 2.087 1.00 14.34 H new ATOM 0 HD13 LEU A 85 1.968 0.269 1.052 1.00 14.34 H new ATOM 0 HD21 LEU A 85 1.808 2.599 3.062 1.00 23.03 H new ATOM 0 HD22 LEU A 85 0.404 1.967 2.170 1.00 23.03 H new ATOM 0 HD23 LEU A 85 0.367 2.048 3.948 1.00 23.03 H new ATOM 1353 N TYR A 86 1.187 -2.329 5.740 1.00 74.42 N ATOM 1354 CA TYR A 86 1.930 -2.465 6.987 1.00 33.02 C ATOM 1355 C TYR A 86 2.874 -3.663 6.932 1.00 13.33 C ATOM 1356 O TYR A 86 4.026 -3.580 7.360 1.00 31.21 O ATOM 1357 CB TYR A 86 0.966 -2.615 8.166 1.00 23.44 C ATOM 1358 CG TYR A 86 1.654 -2.932 9.474 1.00 64.13 C ATOM 1359 CD1 TYR A 86 2.328 -1.946 10.184 1.00 65.31 C ATOM 1360 CD2 TYR A 86 1.629 -4.218 10.001 1.00 61.21 C ATOM 1361 CE1 TYR A 86 2.958 -2.232 11.380 1.00 14.32 C ATOM 1362 CE2 TYR A 86 2.255 -4.512 11.196 1.00 72.12 C ATOM 1363 CZ TYR A 86 2.919 -3.516 11.881 1.00 54.14 C ATOM 1364 OH TYR A 86 3.544 -3.803 13.073 1.00 74.32 O ATOM 0 H TYR A 86 0.173 -2.374 5.845 1.00 74.42 H new ATOM 0 HA TYR A 86 2.525 -1.563 7.125 1.00 33.02 H new ATOM 0 HB2 TYR A 86 0.397 -1.692 8.279 1.00 23.44 H new ATOM 0 HB3 TYR A 86 0.250 -3.405 7.941 1.00 23.44 H new ATOM 0 HD1 TYR A 86 2.360 -0.939 9.795 1.00 65.31 H new ATOM 0 HD2 TYR A 86 1.111 -5.001 9.467 1.00 61.21 H new ATOM 0 HE1 TYR A 86 3.478 -1.454 11.919 1.00 14.32 H new ATOM 0 HE2 TYR A 86 2.225 -5.516 11.592 1.00 72.12 H new ATOM 0 HH TYR A 86 3.422 -4.752 13.286 1.00 74.32 H new ATOM 1374 N CYS A 87 2.377 -4.774 6.401 1.00 70.32 N ATOM 1375 CA CYS A 87 3.175 -5.991 6.288 1.00 41.44 C ATOM 1376 C CYS A 87 4.265 -5.831 5.233 1.00 41.34 C ATOM 1377 O CYS A 87 5.332 -6.437 5.331 1.00 62.13 O ATOM 1378 CB CYS A 87 2.281 -7.181 5.939 1.00 61.22 C ATOM 1379 SG CYS A 87 1.946 -7.359 4.171 1.00 2.21 S ATOM 0 H CYS A 87 1.426 -4.858 6.042 1.00 70.32 H new ATOM 0 HA CYS A 87 3.652 -6.174 7.251 1.00 41.44 H new ATOM 0 HB2 CYS A 87 2.752 -8.094 6.302 1.00 61.22 H new ATOM 0 HB3 CYS A 87 1.334 -7.078 6.469 1.00 61.22 H new ATOM 0 HG CYS A 87 1.463 -6.245 3.707 1.00 2.21 H new ATOM 1385 N VAL A 88 3.989 -5.011 4.225 1.00 0.43 N ATOM 1386 CA VAL A 88 4.945 -4.771 3.151 1.00 11.23 C ATOM 1387 C VAL A 88 6.216 -4.118 3.683 1.00 1.12 C ATOM 1388 O VAL A 88 7.307 -4.332 3.152 1.00 24.53 O ATOM 1389 CB VAL A 88 4.343 -3.875 2.051 1.00 64.24 C ATOM 1390 CG1 VAL A 88 5.388 -3.549 0.996 1.00 24.51 C ATOM 1391 CG2 VAL A 88 3.130 -4.547 1.424 1.00 52.32 C ATOM 0 H VAL A 88 3.111 -4.501 4.129 1.00 0.43 H new ATOM 0 HA VAL A 88 5.190 -5.743 2.723 1.00 11.23 H new ATOM 0 HB VAL A 88 4.018 -2.939 2.505 1.00 64.24 H new ATOM 0 HG11 VAL A 88 4.944 -2.916 0.228 1.00 24.51 H new ATOM 0 HG12 VAL A 88 6.223 -3.025 1.461 1.00 24.51 H new ATOM 0 HG13 VAL A 88 5.747 -4.473 0.542 1.00 24.51 H new ATOM 0 HG21 VAL A 88 2.716 -3.902 0.649 1.00 52.32 H new ATOM 0 HG22 VAL A 88 3.428 -5.498 0.983 1.00 52.32 H new ATOM 0 HG23 VAL A 88 2.375 -4.723 2.190 1.00 52.32 H new ATOM 1401 N HIS A 89 6.069 -3.320 4.736 1.00 31.13 N ATOM 1402 CA HIS A 89 7.206 -2.635 5.341 1.00 43.20 C ATOM 1403 C HIS A 89 7.835 -3.493 6.435 1.00 34.42 C ATOM 1404 O HIS A 89 9.057 -3.644 6.401 1.00 63.04 O ATOM 1405 CB HIS A 89 6.768 -1.290 5.922 1.00 61.11 C ATOM 1406 CG HIS A 89 6.365 -0.291 4.881 1.00 21.11 C ATOM 1407 ND1 HIS A 89 7.117 -0.032 3.755 1.00 52.01 N ATOM 1408 CD2 HIS A 89 5.280 0.514 4.799 1.00 31.05 C ATOM 1409 CE1 HIS A 89 6.513 0.889 3.026 1.00 21.02 C ATOM 1410 NE2 HIS A 89 5.395 1.237 3.637 1.00 65.31 N ATOM 0 H HIS A 89 5.174 -3.132 5.188 1.00 31.13 H new ATOM 0 HA HIS A 89 7.951 -2.462 4.564 1.00 43.20 H new ATOM 0 HB2 HIS A 89 5.931 -1.452 6.601 1.00 61.11 H new ATOM 0 HB3 HIS A 89 7.584 -0.876 6.514 1.00 61.11 H new ATOM 0 HD2 HIS A 89 4.473 0.576 5.515 1.00 31.05 H new ATOM 0 HE1 HIS A 89 6.872 1.289 2.090 1.00 21.02 H new ATOM 0 HE2 HIS A 89 4.726 1.930 3.301 1.00 65.31 H new ATOM 1419 N GLN A 90 7.064 -4.038 7.370 1.00 22.53 N ATOM 1420 CA GLN A 90 7.621 -4.865 8.434 1.00 52.12 C ATOM 1421 C GLN A 90 7.956 -6.261 7.920 1.00 50.14 C ATOM 1422 O GLN A 90 8.525 -7.078 8.643 1.00 63.23 O ATOM 1423 CB GLN A 90 6.638 -4.961 9.602 1.00 11.51 C ATOM 1424 CG GLN A 90 7.307 -4.908 10.966 1.00 2.51 C ATOM 1425 CD GLN A 90 8.171 -3.676 11.145 1.00 3.52 C ATOM 1426 OE1 GLN A 90 8.087 -2.726 10.365 1.00 53.43 O ATOM 1427 NE2 GLN A 90 9.006 -3.683 12.177 1.00 31.32 N ATOM 0 H GLN A 90 6.052 -3.922 7.412 1.00 22.53 H new ATOM 0 HA GLN A 90 8.541 -4.395 8.781 1.00 52.12 H new ATOM 0 HB2 GLN A 90 5.918 -4.146 9.528 1.00 11.51 H new ATOM 0 HB3 GLN A 90 6.076 -5.891 9.518 1.00 11.51 H new ATOM 0 HG2 GLN A 90 6.542 -4.927 11.742 1.00 2.51 H new ATOM 0 HG3 GLN A 90 7.920 -5.799 11.101 1.00 2.51 H new ATOM 0 HE21 GLN A 90 9.043 -4.491 12.798 1.00 31.32 H new ATOM 0 HE22 GLN A 90 9.611 -2.880 12.349 1.00 31.32 H new ATOM 1436 N ARG A 91 7.600 -6.526 6.668 1.00 33.43 N ATOM 1437 CA ARG A 91 7.863 -7.825 6.057 1.00 44.35 C ATOM 1438 C ARG A 91 7.119 -8.933 6.798 1.00 41.22 C ATOM 1439 O ARG A 91 7.705 -9.956 7.153 1.00 20.04 O ATOM 1440 CB ARG A 91 9.364 -8.116 6.054 1.00 62.22 C ATOM 1441 CG ARG A 91 10.213 -6.941 5.598 1.00 65.03 C ATOM 1442 CD ARG A 91 11.630 -7.376 5.258 1.00 44.42 C ATOM 1443 NE ARG A 91 12.562 -7.104 6.349 1.00 24.15 N ATOM 1444 CZ ARG A 91 13.104 -5.913 6.572 1.00 15.00 C ATOM 1445 NH1 ARG A 91 12.810 -4.887 5.785 1.00 22.54 N ATOM 1446 NH2 ARG A 91 13.945 -5.745 7.586 1.00 2.51 N ATOM 0 H ARG A 91 7.129 -5.860 6.056 1.00 33.43 H new ATOM 0 HA ARG A 91 7.505 -7.795 5.028 1.00 44.35 H new ATOM 0 HB2 ARG A 91 9.671 -8.406 7.059 1.00 62.22 H new ATOM 0 HB3 ARG A 91 9.559 -8.968 5.403 1.00 62.22 H new ATOM 0 HG2 ARG A 91 9.754 -6.477 4.725 1.00 65.03 H new ATOM 0 HG3 ARG A 91 10.242 -6.185 6.383 1.00 65.03 H new ATOM 0 HD2 ARG A 91 11.638 -8.442 5.032 1.00 44.42 H new ATOM 0 HD3 ARG A 91 11.963 -6.857 4.359 1.00 44.42 H new ATOM 0 HE ARG A 91 12.810 -7.871 6.974 1.00 24.15 H new ATOM 0 HH11 ARG A 91 12.165 -5.011 5.005 1.00 22.54 H new ATOM 0 HH12 ARG A 91 13.229 -3.974 5.960 1.00 22.54 H new ATOM 0 HH21 ARG A 91 14.175 -6.531 8.194 1.00 2.51 H new ATOM 0 HH22 ARG A 91 14.361 -4.830 7.757 1.00 2.51 H new ATOM 1460 N ILE A 92 5.828 -8.721 7.028 1.00 5.04 N ATOM 1461 CA ILE A 92 5.006 -9.702 7.725 1.00 25.23 C ATOM 1462 C ILE A 92 4.303 -10.630 6.739 1.00 24.13 C ATOM 1463 O ILE A 92 3.508 -10.185 5.910 1.00 64.43 O ATOM 1464 CB ILE A 92 3.948 -9.021 8.614 1.00 33.05 C ATOM 1465 CG1 ILE A 92 4.625 -8.267 9.760 1.00 45.45 C ATOM 1466 CG2 ILE A 92 2.968 -10.050 9.155 1.00 64.11 C ATOM 1467 CD1 ILE A 92 3.755 -7.190 10.372 1.00 31.35 C ATOM 0 H ILE A 92 5.329 -7.879 6.742 1.00 5.04 H new ATOM 0 HA ILE A 92 5.677 -10.285 8.355 1.00 25.23 H new ATOM 0 HB ILE A 92 3.393 -8.304 8.009 1.00 33.05 H new ATOM 0 HG12 ILE A 92 4.908 -8.979 10.536 1.00 45.45 H new ATOM 0 HG13 ILE A 92 5.546 -7.814 9.392 1.00 45.45 H new ATOM 0 HG21 ILE A 92 2.227 -9.553 9.781 1.00 64.11 H new ATOM 0 HG22 ILE A 92 2.467 -10.547 8.324 1.00 64.11 H new ATOM 0 HG23 ILE A 92 3.507 -10.789 9.748 1.00 64.11 H new ATOM 0 HD11 ILE A 92 4.299 -6.697 11.178 1.00 31.35 H new ATOM 0 HD12 ILE A 92 3.493 -6.457 9.609 1.00 31.35 H new ATOM 0 HD13 ILE A 92 2.845 -7.640 10.770 1.00 31.35 H new ATOM 1479 N ASP A 93 4.599 -11.920 6.836 1.00 72.44 N ATOM 1480 CA ASP A 93 3.994 -12.913 5.955 1.00 53.43 C ATOM 1481 C ASP A 93 2.482 -12.729 5.888 1.00 3.03 C ATOM 1482 O ASP A 93 1.825 -12.520 6.908 1.00 72.20 O ATOM 1483 CB ASP A 93 4.328 -14.326 6.438 1.00 31.23 C ATOM 1484 CG ASP A 93 3.810 -15.396 5.496 1.00 75.35 C ATOM 1485 OD1 ASP A 93 2.655 -15.835 5.676 1.00 14.14 O ATOM 1486 OD2 ASP A 93 4.561 -15.796 4.582 1.00 3.23 O ATOM 0 H ASP A 93 5.255 -12.304 7.516 1.00 72.44 H new ATOM 0 HA ASP A 93 4.404 -12.774 4.955 1.00 53.43 H new ATOM 0 HB2 ASP A 93 5.409 -14.427 6.539 1.00 31.23 H new ATOM 0 HB3 ASP A 93 3.900 -14.479 7.429 1.00 31.23 H new ATOM 1491 N VAL A 94 1.934 -12.808 4.679 1.00 4.40 N ATOM 1492 CA VAL A 94 0.498 -12.650 4.479 1.00 22.05 C ATOM 1493 C VAL A 94 0.038 -13.366 3.214 1.00 51.44 C ATOM 1494 O VAL A 94 0.377 -12.964 2.100 1.00 72.45 O ATOM 1495 CB VAL A 94 0.104 -11.163 4.385 1.00 73.20 C ATOM 1496 CG1 VAL A 94 0.165 -10.508 5.756 1.00 74.03 C ATOM 1497 CG2 VAL A 94 1.004 -10.436 3.397 1.00 3.30 C ATOM 0 H VAL A 94 2.463 -12.980 3.824 1.00 4.40 H new ATOM 0 HA VAL A 94 0.007 -13.094 5.345 1.00 22.05 H new ATOM 0 HB VAL A 94 -0.922 -11.098 4.023 1.00 73.20 H new ATOM 0 HG11 VAL A 94 -0.116 -9.458 5.671 1.00 74.03 H new ATOM 0 HG12 VAL A 94 -0.524 -11.014 6.432 1.00 74.03 H new ATOM 0 HG13 VAL A 94 1.179 -10.581 6.149 1.00 74.03 H new ATOM 0 HG21 VAL A 94 0.712 -9.387 3.343 1.00 3.30 H new ATOM 0 HG22 VAL A 94 2.040 -10.508 3.728 1.00 3.30 H new ATOM 0 HG23 VAL A 94 0.905 -10.892 2.412 1.00 3.30 H new ATOM 1507 N LYS A 95 -0.738 -14.430 3.392 1.00 42.23 N ATOM 1508 CA LYS A 95 -1.248 -15.204 2.267 1.00 41.43 C ATOM 1509 C LYS A 95 -2.365 -14.451 1.551 1.00 4.32 C ATOM 1510 O LYS A 95 -2.678 -14.737 0.395 1.00 52.44 O ATOM 1511 CB LYS A 95 -1.760 -16.564 2.746 1.00 1.20 C ATOM 1512 CG LYS A 95 -0.672 -17.457 3.316 1.00 34.30 C ATOM 1513 CD LYS A 95 -0.956 -18.925 3.044 1.00 51.00 C ATOM 1514 CE LYS A 95 0.328 -19.736 2.967 1.00 12.43 C ATOM 1515 NZ LYS A 95 0.382 -20.789 4.019 1.00 34.42 N ATOM 0 H LYS A 95 -1.028 -14.776 4.307 1.00 42.23 H new ATOM 0 HA LYS A 95 -0.429 -15.359 1.564 1.00 41.43 H new ATOM 0 HB2 LYS A 95 -2.525 -16.407 3.506 1.00 1.20 H new ATOM 0 HB3 LYS A 95 -2.239 -17.077 1.912 1.00 1.20 H new ATOM 0 HG2 LYS A 95 0.289 -17.185 2.880 1.00 34.30 H new ATOM 0 HG3 LYS A 95 -0.592 -17.294 4.391 1.00 34.30 H new ATOM 0 HD2 LYS A 95 -1.594 -19.325 3.832 1.00 51.00 H new ATOM 0 HD3 LYS A 95 -1.506 -19.023 2.108 1.00 51.00 H new ATOM 0 HE2 LYS A 95 0.406 -20.200 1.984 1.00 12.43 H new ATOM 0 HE3 LYS A 95 1.185 -19.071 3.074 1.00 12.43 H new ATOM 0 HZ1 LYS A 95 1.272 -21.320 3.933 1.00 34.42 H new ATOM 0 HZ2 LYS A 95 0.333 -20.344 4.958 1.00 34.42 H new ATOM 0 HZ3 LYS A 95 -0.421 -21.439 3.901 1.00 34.42 H new ATOM 1529 N ASP A 96 -2.962 -13.488 2.244 1.00 43.14 N ATOM 1530 CA ASP A 96 -4.043 -12.692 1.675 1.00 24.21 C ATOM 1531 C ASP A 96 -4.438 -11.558 2.615 1.00 72.33 C ATOM 1532 O ASP A 96 -3.870 -11.408 3.697 1.00 42.01 O ATOM 1533 CB ASP A 96 -5.257 -13.576 1.384 1.00 64.34 C ATOM 1534 CG ASP A 96 -5.475 -14.629 2.452 1.00 65.52 C ATOM 1535 OD1 ASP A 96 -5.834 -14.256 3.589 1.00 42.02 O ATOM 1536 OD2 ASP A 96 -5.288 -15.827 2.152 1.00 14.01 O ATOM 0 H ASP A 96 -2.715 -13.239 3.202 1.00 43.14 H new ATOM 0 HA ASP A 96 -3.687 -12.257 0.741 1.00 24.21 H new ATOM 0 HB2 ASP A 96 -6.147 -12.952 1.306 1.00 64.34 H new ATOM 0 HB3 ASP A 96 -5.124 -14.064 0.418 1.00 64.34 H new ATOM 1541 N THR A 97 -5.414 -10.760 2.194 1.00 63.52 N ATOM 1542 CA THR A 97 -5.884 -9.638 2.997 1.00 54.33 C ATOM 1543 C THR A 97 -6.321 -10.098 4.383 1.00 65.45 C ATOM 1544 O THR A 97 -6.210 -9.356 5.359 1.00 62.40 O ATOM 1545 CB THR A 97 -7.058 -8.912 2.315 1.00 52.51 C ATOM 1546 OG1 THR A 97 -6.611 -8.282 1.109 1.00 24.41 O ATOM 1547 CG2 THR A 97 -7.662 -7.869 3.244 1.00 14.52 C ATOM 0 H THR A 97 -5.895 -10.870 1.301 1.00 63.52 H new ATOM 0 HA THR A 97 -5.047 -8.947 3.094 1.00 54.33 H new ATOM 0 HB THR A 97 -7.823 -9.650 2.076 1.00 52.51 H new ATOM 0 HG1 THR A 97 -6.365 -7.352 1.297 1.00 24.41 H new ATOM 0 HG21 THR A 97 -8.490 -7.369 2.741 1.00 14.52 H new ATOM 0 HG22 THR A 97 -8.028 -8.355 4.148 1.00 14.52 H new ATOM 0 HG23 THR A 97 -6.902 -7.134 3.509 1.00 14.52 H new ATOM 1555 N LYS A 98 -6.818 -11.328 4.464 1.00 12.43 N ATOM 1556 CA LYS A 98 -7.270 -11.890 5.731 1.00 3.52 C ATOM 1557 C LYS A 98 -6.086 -12.218 6.634 1.00 64.33 C ATOM 1558 O LYS A 98 -6.059 -11.830 7.802 1.00 22.13 O ATOM 1559 CB LYS A 98 -8.103 -13.150 5.485 1.00 4.03 C ATOM 1560 CG LYS A 98 -8.967 -13.548 6.669 1.00 23.32 C ATOM 1561 CD LYS A 98 -8.758 -15.005 7.047 1.00 41.11 C ATOM 1562 CE LYS A 98 -9.946 -15.555 7.822 1.00 41.05 C ATOM 1563 NZ LYS A 98 -10.220 -16.978 7.479 1.00 63.35 N ATOM 0 H LYS A 98 -6.918 -11.955 3.666 1.00 12.43 H new ATOM 0 HA LYS A 98 -7.889 -11.145 6.230 1.00 3.52 H new ATOM 0 HB2 LYS A 98 -8.742 -12.989 4.617 1.00 4.03 H new ATOM 0 HB3 LYS A 98 -7.435 -13.975 5.240 1.00 4.03 H new ATOM 0 HG2 LYS A 98 -8.731 -12.912 7.523 1.00 23.32 H new ATOM 0 HG3 LYS A 98 -10.017 -13.381 6.427 1.00 23.32 H new ATOM 0 HD2 LYS A 98 -8.604 -15.598 6.145 1.00 41.11 H new ATOM 0 HD3 LYS A 98 -7.854 -15.100 7.649 1.00 41.11 H new ATOM 0 HE2 LYS A 98 -9.753 -15.470 8.891 1.00 41.05 H new ATOM 0 HE3 LYS A 98 -10.829 -14.953 7.608 1.00 41.05 H new ATOM 0 HZ1 LYS A 98 -11.036 -17.316 8.027 1.00 63.35 H new ATOM 0 HZ2 LYS A 98 -10.429 -17.056 6.463 1.00 63.35 H new ATOM 0 HZ3 LYS A 98 -9.386 -17.557 7.706 1.00 63.35 H new ATOM 1577 N GLU A 99 -5.109 -12.933 6.085 1.00 64.55 N ATOM 1578 CA GLU A 99 -3.923 -13.312 6.844 1.00 64.43 C ATOM 1579 C GLU A 99 -3.255 -12.085 7.458 1.00 71.21 C ATOM 1580 O GLU A 99 -2.710 -12.148 8.560 1.00 24.05 O ATOM 1581 CB GLU A 99 -2.930 -14.050 5.944 1.00 73.11 C ATOM 1582 CG GLU A 99 -2.128 -15.119 6.670 1.00 3.24 C ATOM 1583 CD GLU A 99 -2.803 -16.476 6.638 1.00 44.34 C ATOM 1584 OE1 GLU A 99 -2.549 -17.243 5.686 1.00 5.43 O ATOM 1585 OE2 GLU A 99 -3.584 -16.771 7.566 1.00 65.25 O ATOM 0 H GLU A 99 -5.115 -13.261 5.119 1.00 64.55 H new ATOM 0 HA GLU A 99 -4.235 -13.976 7.650 1.00 64.43 H new ATOM 0 HB2 GLU A 99 -3.474 -14.512 5.120 1.00 73.11 H new ATOM 0 HB3 GLU A 99 -2.242 -13.327 5.506 1.00 73.11 H new ATOM 0 HG2 GLU A 99 -1.140 -15.198 6.216 1.00 3.24 H new ATOM 0 HG3 GLU A 99 -1.979 -14.816 7.706 1.00 3.24 H new ATOM 1592 N ALA A 100 -3.301 -10.971 6.736 1.00 40.22 N ATOM 1593 CA ALA A 100 -2.702 -9.729 7.209 1.00 43.21 C ATOM 1594 C ALA A 100 -3.511 -9.132 8.356 1.00 53.22 C ATOM 1595 O ALA A 100 -2.954 -8.734 9.381 1.00 62.12 O ATOM 1596 CB ALA A 100 -2.586 -8.730 6.067 1.00 54.42 C ATOM 0 H ALA A 100 -3.747 -10.903 5.821 1.00 40.22 H new ATOM 0 HA ALA A 100 -1.703 -9.955 7.582 1.00 43.21 H new ATOM 0 HB1 ALA A 100 -2.137 -7.807 6.435 1.00 54.42 H new ATOM 0 HB2 ALA A 100 -1.960 -9.149 5.279 1.00 54.42 H new ATOM 0 HB3 ALA A 100 -3.578 -8.517 5.668 1.00 54.42 H new ATOM 1602 N LEU A 101 -4.826 -9.071 8.178 1.00 54.50 N ATOM 1603 CA LEU A 101 -5.711 -8.521 9.199 1.00 0.14 C ATOM 1604 C LEU A 101 -5.507 -9.226 10.535 1.00 20.32 C ATOM 1605 O LEU A 101 -5.392 -8.582 11.578 1.00 23.11 O ATOM 1606 CB LEU A 101 -7.171 -8.650 8.758 1.00 70.31 C ATOM 1607 CG LEU A 101 -8.098 -7.505 9.166 1.00 44.13 C ATOM 1608 CD1 LEU A 101 -8.202 -7.416 10.680 1.00 52.53 C ATOM 1609 CD2 LEU A 101 -7.608 -6.187 8.584 1.00 31.40 C ATOM 0 H LEU A 101 -5.303 -9.395 7.337 1.00 54.50 H new ATOM 0 HA LEU A 101 -5.467 -7.466 9.326 1.00 0.14 H new ATOM 0 HB2 LEU A 101 -7.195 -8.741 7.672 1.00 70.31 H new ATOM 0 HB3 LEU A 101 -7.572 -9.578 9.165 1.00 70.31 H new ATOM 0 HG LEU A 101 -9.091 -7.708 8.766 1.00 44.13 H new ATOM 0 HD11 LEU A 101 -8.866 -6.595 10.951 1.00 52.53 H new ATOM 0 HD12 LEU A 101 -8.601 -8.351 11.073 1.00 52.53 H new ATOM 0 HD13 LEU A 101 -7.213 -7.238 11.103 1.00 52.53 H new ATOM 0 HD21 LEU A 101 -8.281 -5.384 8.885 1.00 31.40 H new ATOM 0 HD22 LEU A 101 -6.604 -5.977 8.953 1.00 31.40 H new ATOM 0 HD23 LEU A 101 -7.588 -6.255 7.496 1.00 31.40 H new ATOM 1621 N ASP A 102 -5.460 -10.553 10.496 1.00 30.44 N ATOM 1622 CA ASP A 102 -5.265 -11.347 11.704 1.00 23.33 C ATOM 1623 C ASP A 102 -3.846 -11.184 12.238 1.00 62.32 C ATOM 1624 O ASP A 102 -3.632 -10.575 13.287 1.00 35.00 O ATOM 1625 CB ASP A 102 -5.551 -12.824 11.421 1.00 12.35 C ATOM 1626 CG ASP A 102 -6.992 -13.198 11.701 1.00 63.11 C ATOM 1627 OD1 ASP A 102 -7.427 -13.053 12.862 1.00 63.11 O ATOM 1628 OD2 ASP A 102 -7.685 -13.638 10.760 1.00 22.13 O ATOM 0 H ASP A 102 -5.554 -11.102 9.641 1.00 30.44 H new ATOM 0 HA ASP A 102 -5.962 -10.989 12.461 1.00 23.33 H new ATOM 0 HB2 ASP A 102 -5.318 -13.043 10.379 1.00 12.35 H new ATOM 0 HB3 ASP A 102 -4.893 -13.442 12.032 1.00 12.35 H new ATOM 1633 N LYS A 103 -2.879 -11.734 11.512 1.00 54.32 N ATOM 1634 CA LYS A 103 -1.479 -11.650 11.912 1.00 34.14 C ATOM 1635 C LYS A 103 -1.169 -10.289 12.527 1.00 1.12 C ATOM 1636 O LYS A 103 -0.503 -10.201 13.558 1.00 74.11 O ATOM 1637 CB LYS A 103 -0.567 -11.897 10.707 1.00 10.41 C ATOM 1638 CG LYS A 103 0.852 -12.281 11.087 1.00 40.41 C ATOM 1639 CD LYS A 103 1.265 -13.594 10.445 1.00 41.03 C ATOM 1640 CE LYS A 103 2.110 -14.434 11.390 1.00 74.34 C ATOM 1641 NZ LYS A 103 2.240 -15.841 10.917 1.00 25.04 N ATOM 0 H LYS A 103 -3.039 -12.243 10.643 1.00 54.32 H new ATOM 0 HA LYS A 103 -1.295 -12.418 12.663 1.00 34.14 H new ATOM 0 HB2 LYS A 103 -0.997 -12.689 10.093 1.00 10.41 H new ATOM 0 HB3 LYS A 103 -0.539 -10.997 10.093 1.00 10.41 H new ATOM 0 HG2 LYS A 103 1.538 -11.492 10.778 1.00 40.41 H new ATOM 0 HG3 LYS A 103 0.929 -12.365 12.171 1.00 40.41 H new ATOM 0 HD2 LYS A 103 0.376 -14.154 10.155 1.00 41.03 H new ATOM 0 HD3 LYS A 103 1.827 -13.393 9.533 1.00 41.03 H new ATOM 0 HE2 LYS A 103 3.101 -13.989 11.483 1.00 74.34 H new ATOM 0 HE3 LYS A 103 1.662 -14.425 12.383 1.00 74.34 H new ATOM 0 HZ1 LYS A 103 2.823 -16.380 11.588 1.00 25.04 H new ATOM 0 HZ2 LYS A 103 1.297 -16.274 10.852 1.00 25.04 H new ATOM 0 HZ3 LYS A 103 2.691 -15.852 9.980 1.00 25.04 H new ATOM 1655 N ILE A 104 -1.659 -9.231 11.889 1.00 35.20 N ATOM 1656 CA ILE A 104 -1.436 -7.876 12.376 1.00 71.01 C ATOM 1657 C ILE A 104 -2.243 -7.607 13.641 1.00 4.30 C ATOM 1658 O ILE A 104 -1.697 -7.184 14.659 1.00 1.21 O ATOM 1659 CB ILE A 104 -1.807 -6.827 11.310 1.00 40.42 C ATOM 1660 CG1 ILE A 104 -0.860 -6.927 10.114 1.00 22.32 C ATOM 1661 CG2 ILE A 104 -1.769 -5.428 11.908 1.00 74.44 C ATOM 1662 CD1 ILE A 104 -1.408 -6.293 8.854 1.00 13.10 C ATOM 0 H ILE A 104 -2.213 -9.287 11.034 1.00 35.20 H new ATOM 0 HA ILE A 104 -0.373 -7.792 12.602 1.00 71.01 H new ATOM 0 HB ILE A 104 -2.821 -7.025 10.963 1.00 40.42 H new ATOM 0 HG12 ILE A 104 0.086 -6.450 10.369 1.00 22.32 H new ATOM 0 HG13 ILE A 104 -0.645 -7.977 9.918 1.00 22.32 H new ATOM 0 HG21 ILE A 104 -2.033 -4.698 11.143 1.00 74.44 H new ATOM 0 HG22 ILE A 104 -2.481 -5.365 12.731 1.00 74.44 H new ATOM 0 HG23 ILE A 104 -0.766 -5.218 12.279 1.00 74.44 H new ATOM 0 HD11 ILE A 104 -0.683 -6.402 8.047 1.00 13.10 H new ATOM 0 HD12 ILE A 104 -2.339 -6.786 8.574 1.00 13.10 H new ATOM 0 HD13 ILE A 104 -1.597 -5.234 9.032 1.00 13.10 H new ATOM 1674 N GLU A 105 -3.548 -7.855 13.568 1.00 73.12 N ATOM 1675 CA GLU A 105 -4.430 -7.641 14.709 1.00 4.12 C ATOM 1676 C GLU A 105 -3.889 -8.336 15.955 1.00 33.43 C ATOM 1677 O GLU A 105 -4.107 -7.880 17.076 1.00 61.54 O ATOM 1678 CB GLU A 105 -5.838 -8.153 14.397 1.00 61.40 C ATOM 1679 CG GLU A 105 -6.809 -8.009 15.557 1.00 1.24 C ATOM 1680 CD GLU A 105 -7.256 -9.346 16.113 1.00 73.15 C ATOM 1681 OE1 GLU A 105 -6.389 -10.219 16.329 1.00 60.22 O ATOM 1682 OE2 GLU A 105 -8.473 -9.521 16.334 1.00 1.45 O ATOM 0 H GLU A 105 -4.016 -8.204 12.732 1.00 73.12 H new ATOM 0 HA GLU A 105 -4.475 -6.569 14.903 1.00 4.12 H new ATOM 0 HB2 GLU A 105 -6.230 -7.611 13.536 1.00 61.40 H new ATOM 0 HB3 GLU A 105 -5.779 -9.203 14.112 1.00 61.40 H new ATOM 0 HG2 GLU A 105 -6.338 -7.429 16.351 1.00 1.24 H new ATOM 0 HG3 GLU A 105 -7.682 -7.447 15.227 1.00 1.24 H new ATOM 1689 N GLU A 106 -3.182 -9.443 15.748 1.00 13.32 N ATOM 1690 CA GLU A 106 -2.610 -10.202 16.854 1.00 13.45 C ATOM 1691 C GLU A 106 -1.471 -9.429 17.512 1.00 72.34 C ATOM 1692 O GLU A 106 -1.370 -9.375 18.737 1.00 64.41 O ATOM 1693 CB GLU A 106 -2.104 -11.560 16.362 1.00 14.43 C ATOM 1694 CG GLU A 106 -3.166 -12.645 16.373 1.00 74.32 C ATOM 1695 CD GLU A 106 -2.590 -14.022 16.647 1.00 54.33 C ATOM 1696 OE1 GLU A 106 -1.992 -14.609 15.723 1.00 73.42 O ATOM 1697 OE2 GLU A 106 -2.739 -14.509 17.788 1.00 62.52 O ATOM 0 H GLU A 106 -2.992 -9.834 14.825 1.00 13.32 H new ATOM 0 HA GLU A 106 -3.393 -10.362 17.595 1.00 13.45 H new ATOM 0 HB2 GLU A 106 -1.720 -11.450 15.348 1.00 14.43 H new ATOM 0 HB3 GLU A 106 -1.268 -11.875 16.987 1.00 14.43 H new ATOM 0 HG2 GLU A 106 -3.913 -12.410 17.132 1.00 74.32 H new ATOM 0 HG3 GLU A 106 -3.680 -12.655 15.412 1.00 74.32 H new ATOM 1704 N GLU A 107 -0.614 -8.834 16.688 1.00 41.04 N ATOM 1705 CA GLU A 107 0.520 -8.066 17.191 1.00 51.12 C ATOM 1706 C GLU A 107 0.045 -6.846 17.976 1.00 62.20 C ATOM 1707 O GLU A 107 0.742 -6.359 18.866 1.00 31.25 O ATOM 1708 CB GLU A 107 1.417 -7.623 16.034 1.00 31.11 C ATOM 1709 CG GLU A 107 2.761 -7.073 16.481 1.00 72.04 C ATOM 1710 CD GLU A 107 3.815 -8.155 16.628 1.00 41.13 C ATOM 1711 OE1 GLU A 107 4.382 -8.574 15.598 1.00 13.11 O ATOM 1712 OE2 GLU A 107 4.070 -8.582 17.774 1.00 15.23 O ATOM 0 H GLU A 107 -0.683 -8.869 15.671 1.00 41.04 H new ATOM 0 HA GLU A 107 1.093 -8.708 17.861 1.00 51.12 H new ATOM 0 HB2 GLU A 107 1.584 -8.471 15.370 1.00 31.11 H new ATOM 0 HB3 GLU A 107 0.897 -6.861 15.454 1.00 31.11 H new ATOM 0 HG2 GLU A 107 3.104 -6.332 15.759 1.00 72.04 H new ATOM 0 HG3 GLU A 107 2.640 -6.557 17.434 1.00 72.04 H new ATOM 1719 N GLN A 108 -1.144 -6.359 17.640 1.00 20.23 N ATOM 1720 CA GLN A 108 -1.711 -5.196 18.311 1.00 44.23 C ATOM 1721 C GLN A 108 -2.325 -5.587 19.652 1.00 33.55 C ATOM 1722 O GLN A 108 -2.304 -4.811 20.606 1.00 12.15 O ATOM 1723 CB GLN A 108 -2.769 -4.535 17.426 1.00 42.52 C ATOM 1724 CG GLN A 108 -3.079 -3.098 17.819 1.00 71.43 C ATOM 1725 CD GLN A 108 -3.934 -2.385 16.792 1.00 2.11 C ATOM 1726 OE1 GLN A 108 -5.102 -2.721 16.597 1.00 64.11 O ATOM 1727 NE2 GLN A 108 -3.356 -1.391 16.128 1.00 11.41 N ATOM 0 H GLN A 108 -1.734 -6.752 16.907 1.00 20.23 H new ATOM 0 HA GLN A 108 -0.905 -4.485 18.494 1.00 44.23 H new ATOM 0 HB2 GLN A 108 -2.429 -4.555 16.391 1.00 42.52 H new ATOM 0 HB3 GLN A 108 -3.687 -5.121 17.471 1.00 42.52 H new ATOM 0 HG2 GLN A 108 -3.591 -3.091 18.781 1.00 71.43 H new ATOM 0 HG3 GLN A 108 -2.145 -2.552 17.951 1.00 71.43 H new ATOM 0 HE21 GLN A 108 -2.385 -1.145 16.321 1.00 11.41 H new ATOM 0 HE22 GLN A 108 -3.883 -0.873 15.425 1.00 11.41 H new ATOM 1736 N ASN A 109 -2.872 -6.797 19.716 1.00 63.32 N ATOM 1737 CA ASN A 109 -3.493 -7.292 20.939 1.00 2.10 C ATOM 1738 C ASN A 109 -2.495 -7.292 22.093 1.00 40.12 C ATOM 1739 O ASN A 109 -2.845 -6.976 23.231 1.00 73.12 O ATOM 1740 CB ASN A 109 -4.041 -8.703 20.724 1.00 21.32 C ATOM 1741 CG ASN A 109 -4.744 -9.245 21.953 1.00 35.44 C ATOM 1742 OD1 ASN A 109 -5.671 -8.626 22.475 1.00 32.31 O ATOM 1743 ND2 ASN A 109 -4.303 -10.407 22.422 1.00 62.20 N ATOM 0 H ASN A 109 -2.898 -7.453 18.935 1.00 63.32 H new ATOM 0 HA ASN A 109 -4.317 -6.626 21.194 1.00 2.10 H new ATOM 0 HB2 ASN A 109 -4.737 -8.695 19.885 1.00 21.32 H new ATOM 0 HB3 ASN A 109 -3.223 -9.370 20.453 1.00 21.32 H new ATOM 0 HD21 ASN A 109 -4.736 -10.821 23.247 1.00 62.20 H new ATOM 0 HD22 ASN A 109 -3.531 -10.885 21.957 1.00 62.20 H new ATOM 1750 N LYS A 110 -1.251 -7.649 21.793 1.00 1.15 N ATOM 1751 CA LYS A 110 -0.201 -7.689 22.803 1.00 42.22 C ATOM 1752 C LYS A 110 -0.087 -6.349 23.524 1.00 41.00 C ATOM 1753 O LYS A 110 0.327 -6.289 24.681 1.00 62.23 O ATOM 1754 CB LYS A 110 1.140 -8.051 22.161 1.00 3.52 C ATOM 1755 CG LYS A 110 2.243 -8.328 23.168 1.00 44.15 C ATOM 1756 CD LYS A 110 3.422 -7.390 22.977 1.00 11.04 C ATOM 1757 CE LYS A 110 4.340 -7.394 24.190 1.00 3.44 C ATOM 1758 NZ LYS A 110 5.480 -8.337 24.020 1.00 61.45 N ATOM 0 H LYS A 110 -0.945 -7.915 20.857 1.00 1.15 H new ATOM 0 HA LYS A 110 -0.464 -8.453 23.534 1.00 42.22 H new ATOM 0 HB2 LYS A 110 1.006 -8.930 21.531 1.00 3.52 H new ATOM 0 HB3 LYS A 110 1.452 -7.236 21.508 1.00 3.52 H new ATOM 0 HG2 LYS A 110 1.850 -8.218 24.179 1.00 44.15 H new ATOM 0 HG3 LYS A 110 2.578 -9.360 23.067 1.00 44.15 H new ATOM 0 HD2 LYS A 110 3.985 -7.687 22.092 1.00 11.04 H new ATOM 0 HD3 LYS A 110 3.058 -6.378 22.798 1.00 11.04 H new ATOM 0 HE2 LYS A 110 4.723 -6.388 24.359 1.00 3.44 H new ATOM 0 HE3 LYS A 110 3.769 -7.670 25.076 1.00 3.44 H new ATOM 0 HZ1 LYS A 110 6.082 -8.310 24.868 1.00 61.45 H new ATOM 0 HZ2 LYS A 110 5.115 -9.302 23.884 1.00 61.45 H new ATOM 0 HZ3 LYS A 110 6.040 -8.059 23.189 1.00 61.45 H new ATOM 1772 N SER A 111 -0.457 -5.277 22.831 1.00 1.42 N ATOM 1773 CA SER A 111 -0.394 -3.937 23.404 1.00 23.11 C ATOM 1774 C SER A 111 -1.339 -3.811 24.594 1.00 44.24 C ATOM 1775 O SER A 111 -1.118 -3.002 25.496 1.00 54.02 O ATOM 1776 CB SER A 111 -0.745 -2.890 22.346 1.00 4.13 C ATOM 1777 OG SER A 111 -2.118 -2.543 22.408 1.00 4.12 O ATOM 0 H SER A 111 -0.803 -5.310 21.872 1.00 1.42 H new ATOM 0 HA SER A 111 0.625 -3.764 23.751 1.00 23.11 H new ATOM 0 HB2 SER A 111 -0.134 -1.999 22.495 1.00 4.13 H new ATOM 0 HB3 SER A 111 -0.509 -3.277 21.355 1.00 4.13 H new ATOM 0 HG SER A 111 -2.634 -3.147 21.834 1.00 4.12 H new ATOM 1783 N LYS A 112 -2.396 -4.616 24.592 1.00 34.53 N ATOM 1784 CA LYS A 112 -3.377 -4.598 25.670 1.00 55.24 C ATOM 1785 C LYS A 112 -2.821 -5.271 26.922 1.00 65.44 C ATOM 1786 O LYS A 112 -3.097 -4.845 28.044 1.00 4.23 O ATOM 1787 CB LYS A 112 -4.663 -5.298 25.230 1.00 44.24 C ATOM 1788 CG LYS A 112 -5.914 -4.745 25.890 1.00 43.32 C ATOM 1789 CD LYS A 112 -6.774 -3.975 24.901 1.00 35.40 C ATOM 1790 CE LYS A 112 -7.475 -2.801 25.568 1.00 14.14 C ATOM 1791 NZ LYS A 112 -8.505 -2.195 24.680 1.00 14.04 N ATOM 0 H LYS A 112 -2.595 -5.291 23.853 1.00 34.53 H new ATOM 0 HA LYS A 112 -3.601 -3.558 25.906 1.00 55.24 H new ATOM 0 HB2 LYS A 112 -4.763 -5.208 24.148 1.00 44.24 H new ATOM 0 HB3 LYS A 112 -4.583 -6.361 25.456 1.00 44.24 H new ATOM 0 HG2 LYS A 112 -6.493 -5.564 26.317 1.00 43.32 H new ATOM 0 HG3 LYS A 112 -5.632 -4.090 26.715 1.00 43.32 H new ATOM 0 HD2 LYS A 112 -6.153 -3.612 24.083 1.00 35.40 H new ATOM 0 HD3 LYS A 112 -7.516 -4.644 24.465 1.00 35.40 H new ATOM 0 HE2 LYS A 112 -7.944 -3.136 26.493 1.00 14.14 H new ATOM 0 HE3 LYS A 112 -6.739 -2.045 25.840 1.00 14.14 H new ATOM 0 HZ1 LYS A 112 -8.960 -1.399 25.170 1.00 14.04 H new ATOM 0 HZ2 LYS A 112 -8.054 -1.853 23.808 1.00 14.04 H new ATOM 0 HZ3 LYS A 112 -9.222 -2.910 24.441 1.00 14.04 H new ATOM 1805 N LYS A 113 -2.035 -6.324 26.722 1.00 44.34 N ATOM 1806 CA LYS A 113 -1.439 -7.056 27.833 1.00 54.35 C ATOM 1807 C LYS A 113 -0.640 -6.119 28.734 1.00 74.43 C ATOM 1808 O LYS A 113 -0.511 -6.356 29.936 1.00 10.42 O ATOM 1809 CB LYS A 113 -0.534 -8.173 27.309 1.00 13.30 C ATOM 1810 CG LYS A 113 -0.911 -9.551 27.821 1.00 32.45 C ATOM 1811 CD LYS A 113 -0.726 -10.614 26.750 1.00 2.45 C ATOM 1812 CE LYS A 113 -0.610 -12.004 27.357 1.00 3.32 C ATOM 1813 NZ LYS A 113 0.729 -12.232 27.966 1.00 74.11 N ATOM 0 H LYS A 113 -1.796 -6.689 25.800 1.00 44.34 H new ATOM 0 HA LYS A 113 -2.245 -7.497 28.420 1.00 54.35 H new ATOM 0 HB2 LYS A 113 -0.570 -8.177 26.220 1.00 13.30 H new ATOM 0 HB3 LYS A 113 0.496 -7.958 27.593 1.00 13.30 H new ATOM 0 HG2 LYS A 113 -0.299 -9.797 28.689 1.00 32.45 H new ATOM 0 HG3 LYS A 113 -1.949 -9.545 28.154 1.00 32.45 H new ATOM 0 HD2 LYS A 113 -1.569 -10.587 26.060 1.00 2.45 H new ATOM 0 HD3 LYS A 113 0.169 -10.394 26.169 1.00 2.45 H new ATOM 0 HE2 LYS A 113 -1.381 -12.135 28.116 1.00 3.32 H new ATOM 0 HE3 LYS A 113 -0.791 -12.753 26.586 1.00 3.32 H new ATOM 0 HZ1 LYS A 113 0.817 -13.229 28.247 1.00 74.11 H new ATOM 0 HZ2 LYS A 113 1.469 -12.001 27.273 1.00 74.11 H new ATOM 0 HZ3 LYS A 113 0.837 -11.625 28.804 1.00 74.11 H new ATOM 1827 N LYS A 114 -0.104 -5.055 28.147 1.00 14.14 N ATOM 1828 CA LYS A 114 0.682 -4.081 28.895 1.00 43.10 C ATOM 1829 C LYS A 114 -0.169 -3.403 29.964 1.00 45.44 C ATOM 1830 O LYS A 114 0.297 -3.153 31.075 1.00 60.20 O ATOM 1831 CB LYS A 114 1.264 -3.028 27.948 1.00 62.33 C ATOM 1832 CG LYS A 114 2.776 -3.090 27.827 1.00 13.22 C ATOM 1833 CD LYS A 114 3.377 -1.708 27.631 1.00 20.50 C ATOM 1834 CE LYS A 114 4.841 -1.789 27.226 1.00 42.04 C ATOM 1835 NZ LYS A 114 5.749 -1.502 28.372 1.00 63.43 N ATOM 0 H LYS A 114 -0.200 -4.845 27.154 1.00 14.14 H new ATOM 0 HA LYS A 114 1.499 -4.610 29.386 1.00 43.10 H new ATOM 0 HB2 LYS A 114 0.823 -3.157 26.960 1.00 62.33 H new ATOM 0 HB3 LYS A 114 0.976 -2.037 28.299 1.00 62.33 H new ATOM 0 HG2 LYS A 114 3.195 -3.546 28.724 1.00 13.22 H new ATOM 0 HG3 LYS A 114 3.049 -3.729 26.987 1.00 13.22 H new ATOM 0 HD2 LYS A 114 2.816 -1.171 26.866 1.00 20.50 H new ATOM 0 HD3 LYS A 114 3.285 -1.136 28.554 1.00 20.50 H new ATOM 0 HE2 LYS A 114 5.055 -2.783 26.833 1.00 42.04 H new ATOM 0 HE3 LYS A 114 5.035 -1.079 26.422 1.00 42.04 H new ATOM 0 HZ1 LYS A 114 6.738 -1.567 28.056 1.00 63.43 H new ATOM 0 HZ2 LYS A 114 5.562 -0.544 28.731 1.00 63.43 H new ATOM 0 HZ3 LYS A 114 5.581 -2.195 29.130 1.00 63.43 H new ATOM 1849 N ALA A 115 -1.419 -3.109 29.621 1.00 52.15 N ATOM 1850 CA ALA A 115 -2.335 -2.464 30.555 1.00 30.05 C ATOM 1851 C ALA A 115 -2.538 -3.315 31.803 1.00 24.54 C ATOM 1852 O ALA A 115 -2.742 -2.789 32.896 1.00 64.43 O ATOM 1853 CB ALA A 115 -3.670 -2.189 29.878 1.00 14.33 C ATOM 0 H ALA A 115 -1.820 -3.307 28.704 1.00 52.15 H new ATOM 0 HA ALA A 115 -1.893 -1.516 30.863 1.00 30.05 H new ATOM 0 HB1 ALA A 115 -4.345 -1.707 30.586 1.00 14.33 H new ATOM 0 HB2 ALA A 115 -3.515 -1.534 29.021 1.00 14.33 H new ATOM 0 HB3 ALA A 115 -4.108 -3.129 29.542 1.00 14.33 H new ATOM 1859 N GLN A 116 -2.481 -4.632 31.631 1.00 74.24 N ATOM 1860 CA GLN A 116 -2.660 -5.555 32.745 1.00 65.13 C ATOM 1861 C GLN A 116 -1.392 -5.644 33.588 1.00 41.44 C ATOM 1862 O GLN A 116 -1.368 -5.199 34.735 1.00 70.01 O ATOM 1863 CB GLN A 116 -3.040 -6.943 32.227 1.00 64.55 C ATOM 1864 CG GLN A 116 -4.413 -6.996 31.575 1.00 42.43 C ATOM 1865 CD GLN A 116 -4.685 -8.321 30.893 1.00 2.35 C ATOM 1866 OE1 GLN A 116 -3.832 -8.851 30.180 1.00 24.45 O ATOM 1867 NE2 GLN A 116 -5.878 -8.864 31.107 1.00 10.34 N ATOM 0 H GLN A 116 -2.312 -5.083 30.732 1.00 74.24 H new ATOM 0 HA GLN A 116 -3.466 -5.175 33.373 1.00 65.13 H new ATOM 0 HB2 GLN A 116 -2.292 -7.269 31.505 1.00 64.55 H new ATOM 0 HB3 GLN A 116 -3.013 -7.651 33.056 1.00 64.55 H new ATOM 0 HG2 GLN A 116 -5.177 -6.818 32.332 1.00 42.43 H new ATOM 0 HG3 GLN A 116 -4.495 -6.192 30.844 1.00 42.43 H new ATOM 0 HE21 GLN A 116 -6.554 -8.390 31.705 1.00 10.34 H new ATOM 0 HE22 GLN A 116 -6.118 -9.755 30.673 1.00 10.34 H new ATOM 1876 N GLN A 117 -0.343 -6.220 33.012 1.00 71.20 N ATOM 1877 CA GLN A 117 0.927 -6.368 33.711 1.00 54.33 C ATOM 1878 C GLN A 117 0.729 -7.041 35.066 1.00 2.44 C ATOM 1879 O GLN A 117 1.457 -6.766 36.019 1.00 24.13 O ATOM 1880 CB GLN A 117 1.591 -5.002 33.900 1.00 62.13 C ATOM 1881 CG GLN A 117 3.066 -4.986 33.531 1.00 63.03 C ATOM 1882 CD GLN A 117 3.671 -3.599 33.608 1.00 33.12 C ATOM 1883 OE1 GLN A 117 3.800 -2.909 32.597 1.00 0.12 O ATOM 1884 NE2 GLN A 117 4.047 -3.183 34.812 1.00 52.31 N ATOM 0 H GLN A 117 -0.347 -6.592 32.062 1.00 71.20 H new ATOM 0 HA GLN A 117 1.575 -7.000 33.104 1.00 54.33 H new ATOM 0 HB2 GLN A 117 1.065 -4.265 33.293 1.00 62.13 H new ATOM 0 HB3 GLN A 117 1.482 -4.695 34.940 1.00 62.13 H new ATOM 0 HG2 GLN A 117 3.611 -5.654 34.198 1.00 63.03 H new ATOM 0 HG3 GLN A 117 3.188 -5.376 32.521 1.00 63.03 H new ATOM 0 HE21 GLN A 117 3.921 -3.789 35.623 1.00 52.31 H new ATOM 0 HE22 GLN A 117 4.461 -2.258 34.926 1.00 52.31 H new ATOM 1893 N ALA A 118 -0.262 -7.923 35.142 1.00 43.42 N ATOM 1894 CA ALA A 118 -0.557 -8.637 36.379 1.00 51.40 C ATOM 1895 C ALA A 118 -1.630 -9.697 36.159 1.00 50.11 C ATOM 1896 O ALA A 118 -1.556 -10.792 36.715 1.00 43.10 O ATOM 1897 CB ALA A 118 -0.991 -7.659 37.461 1.00 44.25 C ATOM 0 H ALA A 118 -0.874 -8.161 34.362 1.00 43.42 H new ATOM 0 HA ALA A 118 0.353 -9.142 36.704 1.00 51.40 H new ATOM 0 HB1 ALA A 118 -1.208 -8.205 38.379 1.00 44.25 H new ATOM 0 HB2 ALA A 118 -0.191 -6.942 37.646 1.00 44.25 H new ATOM 0 HB3 ALA A 118 -1.885 -7.128 37.134 1.00 44.25 H new ATOM 1903 N ALA A 119 -2.626 -9.364 35.345 1.00 23.21 N ATOM 1904 CA ALA A 119 -3.713 -10.290 35.051 1.00 64.01 C ATOM 1905 C ALA A 119 -3.520 -10.949 33.689 1.00 71.44 C ATOM 1906 O ALA A 119 -4.487 -11.337 33.035 1.00 71.30 O ATOM 1907 CB ALA A 119 -5.051 -9.566 35.104 1.00 70.13 C ATOM 0 H ALA A 119 -2.703 -8.461 34.878 1.00 23.21 H new ATOM 0 HA ALA A 119 -3.705 -11.073 35.809 1.00 64.01 H new ATOM 0 HB1 ALA A 119 -5.854 -10.269 34.883 1.00 70.13 H new ATOM 0 HB2 ALA A 119 -5.199 -9.148 36.100 1.00 70.13 H new ATOM 0 HB3 ALA A 119 -5.059 -8.762 34.368 1.00 70.13 H new ATOM 1913 N ALA A 120 -2.266 -11.072 33.269 1.00 51.13 N ATOM 1914 CA ALA A 120 -1.946 -11.685 31.986 1.00 61.21 C ATOM 1915 C ALA A 120 -1.154 -12.974 32.176 1.00 71.01 C ATOM 1916 O ALA A 120 -1.216 -13.881 31.346 1.00 64.05 O ATOM 1917 CB ALA A 120 -1.170 -10.710 31.113 1.00 44.30 C ATOM 0 H ALA A 120 -1.454 -10.755 33.799 1.00 51.13 H new ATOM 0 HA ALA A 120 -2.883 -11.935 31.487 1.00 61.21 H new ATOM 0 HB1 ALA A 120 -0.938 -11.182 30.158 1.00 44.30 H new ATOM 0 HB2 ALA A 120 -1.772 -9.818 30.940 1.00 44.30 H new ATOM 0 HB3 ALA A 120 -0.243 -10.431 31.614 1.00 44.30 H new ATOM 1923 N ASP A 121 -0.407 -13.048 33.273 1.00 1.03 N ATOM 1924 CA ASP A 121 0.398 -14.226 33.572 1.00 22.13 C ATOM 1925 C ASP A 121 -0.384 -15.214 34.432 1.00 70.21 C ATOM 1926 O ASP A 121 -0.153 -16.423 34.375 1.00 2.44 O ATOM 1927 CB ASP A 121 1.689 -13.821 34.284 1.00 44.02 C ATOM 1928 CG ASP A 121 1.453 -13.425 35.729 1.00 14.41 C ATOM 1929 OD1 ASP A 121 0.513 -12.644 35.984 1.00 30.15 O ATOM 1930 OD2 ASP A 121 2.209 -13.895 36.605 1.00 32.23 O ATOM 0 H ASP A 121 -0.343 -12.306 33.970 1.00 1.03 H new ATOM 0 HA ASP A 121 0.650 -14.712 32.630 1.00 22.13 H new ATOM 0 HB2 ASP A 121 2.396 -14.650 34.248 1.00 44.02 H new ATOM 0 HB3 ASP A 121 2.148 -12.988 33.752 1.00 44.02 H new ATOM 1935 N THR A 122 -1.309 -14.693 35.231 1.00 10.40 N ATOM 1936 CA THR A 122 -2.124 -15.528 36.105 1.00 74.24 C ATOM 1937 C THR A 122 -1.254 -16.459 36.942 1.00 31.12 C ATOM 1938 O THR A 122 -0.030 -16.334 36.959 1.00 41.50 O ATOM 1939 CB THR A 122 -3.130 -16.371 35.299 1.00 24.13 C ATOM 1940 OG1 THR A 122 -2.467 -17.494 34.709 1.00 22.30 O ATOM 1941 CG2 THR A 122 -3.787 -15.534 34.212 1.00 31.35 C ATOM 0 H THR A 122 -1.513 -13.695 35.291 1.00 10.40 H new ATOM 0 HA THR A 122 -2.672 -14.855 36.765 1.00 74.24 H new ATOM 0 HB THR A 122 -3.903 -16.725 35.981 1.00 24.13 H new ATOM 0 HG1 THR A 122 -1.681 -17.185 34.211 1.00 22.30 H new ATOM 0 HG21 THR A 122 -4.493 -16.150 33.656 1.00 31.35 H new ATOM 0 HG22 THR A 122 -4.316 -14.697 34.667 1.00 31.35 H new ATOM 0 HG23 THR A 122 -3.023 -15.155 33.533 1.00 31.35 H new ATOM 1949 N GLY A 123 -1.895 -17.396 37.635 1.00 53.52 N ATOM 1950 CA GLY A 123 -1.163 -18.336 38.465 1.00 52.41 C ATOM 1951 C GLY A 123 -0.296 -19.275 37.650 1.00 65.33 C ATOM 1952 O GLY A 123 -0.805 -20.169 36.974 1.00 12.34 O ATOM 0 H GLY A 123 -2.907 -17.521 37.637 1.00 53.52 H new ATOM 0 HA2 GLY A 123 -0.537 -17.785 39.167 1.00 52.41 H new ATOM 0 HA3 GLY A 123 -1.868 -18.919 39.057 1.00 52.41 H new ATOM 1956 N ASN A 124 1.016 -19.073 37.713 1.00 64.13 N ATOM 1957 CA ASN A 124 1.954 -19.909 36.973 1.00 53.13 C ATOM 1958 C ASN A 124 2.861 -20.682 37.926 1.00 34.14 C ATOM 1959 O ASN A 124 2.740 -20.568 39.145 1.00 15.24 O ATOM 1960 CB ASN A 124 2.799 -19.050 36.030 1.00 35.42 C ATOM 1961 CG ASN A 124 3.683 -18.071 36.776 1.00 74.41 C ATOM 1962 OD1 ASN A 124 3.360 -17.647 37.886 1.00 11.34 O ATOM 1963 ND2 ASN A 124 4.807 -17.707 36.169 1.00 22.33 N ATOM 0 H ASN A 124 1.454 -18.338 38.269 1.00 64.13 H new ATOM 0 HA ASN A 124 1.380 -20.625 36.385 1.00 53.13 H new ATOM 0 HB2 ASN A 124 3.420 -19.698 35.412 1.00 35.42 H new ATOM 0 HB3 ASN A 124 2.142 -18.501 35.356 1.00 35.42 H new ATOM 0 HD21 ASN A 124 5.442 -17.051 36.623 1.00 22.33 H new ATOM 0 HD22 ASN A 124 5.035 -18.084 35.249 1.00 22.33 H new ATOM 1970 N ASN A 125 3.770 -21.469 37.359 1.00 62.41 N ATOM 1971 CA ASN A 125 4.699 -22.261 38.158 1.00 65.52 C ATOM 1972 C ASN A 125 6.143 -21.953 37.778 1.00 33.45 C ATOM 1973 O ASN A 125 6.918 -22.854 37.458 1.00 15.03 O ATOM 1974 CB ASN A 125 4.418 -23.755 37.971 1.00 13.01 C ATOM 1975 CG ASN A 125 4.024 -24.095 36.547 1.00 34.24 C ATOM 1976 OD1 ASN A 125 4.767 -23.824 35.604 1.00 20.23 O ATOM 1977 ND2 ASN A 125 2.849 -24.694 36.385 1.00 53.24 N ATOM 0 H ASN A 125 3.883 -21.575 36.351 1.00 62.41 H new ATOM 0 HA ASN A 125 4.554 -21.998 39.206 1.00 65.52 H new ATOM 0 HB2 ASN A 125 5.305 -24.326 38.246 1.00 13.01 H new ATOM 0 HB3 ASN A 125 3.620 -24.059 38.648 1.00 13.01 H new ATOM 0 HD21 ASN A 125 2.531 -24.948 35.450 1.00 53.24 H new ATOM 0 HD22 ASN A 125 2.265 -24.900 37.196 1.00 53.24 H new ATOM 1984 N SER A 126 6.499 -20.673 37.818 1.00 31.34 N ATOM 1985 CA SER A 126 7.850 -20.244 37.475 1.00 1.03 C ATOM 1986 C SER A 126 8.129 -18.845 38.015 1.00 2.35 C ATOM 1987 O SER A 126 7.232 -18.005 38.086 1.00 43.00 O ATOM 1988 CB SER A 126 8.045 -20.265 35.957 1.00 25.01 C ATOM 1989 OG SER A 126 9.084 -19.384 35.564 1.00 64.01 O ATOM 0 H SER A 126 5.871 -19.915 38.084 1.00 31.34 H new ATOM 0 HA SER A 126 8.553 -20.939 37.934 1.00 1.03 H new ATOM 0 HB2 SER A 126 8.280 -21.278 35.631 1.00 25.01 H new ATOM 0 HB3 SER A 126 7.116 -19.980 35.464 1.00 25.01 H new ATOM 0 HG SER A 126 9.190 -19.417 34.590 1.00 64.01 H new ATOM 1995 N GLN A 127 9.380 -18.602 38.395 1.00 22.20 N ATOM 1996 CA GLN A 127 9.777 -17.306 38.930 1.00 13.22 C ATOM 1997 C GLN A 127 9.592 -16.207 37.888 1.00 51.12 C ATOM 1998 O GLN A 127 9.839 -16.415 36.700 1.00 32.00 O ATOM 1999 CB GLN A 127 11.235 -17.347 39.391 1.00 11.23 C ATOM 2000 CG GLN A 127 12.196 -17.855 38.328 1.00 61.25 C ATOM 2001 CD GLN A 127 12.552 -19.317 38.515 1.00 21.05 C ATOM 2002 OE1 GLN A 127 12.809 -19.768 39.630 1.00 52.44 O ATOM 2003 NE2 GLN A 127 12.566 -20.067 37.419 1.00 11.14 N ATOM 0 H GLN A 127 10.135 -19.286 38.342 1.00 22.20 H new ATOM 0 HA GLN A 127 9.138 -17.082 39.785 1.00 13.22 H new ATOM 0 HB2 GLN A 127 11.539 -16.346 39.695 1.00 11.23 H new ATOM 0 HB3 GLN A 127 11.311 -17.984 40.272 1.00 11.23 H new ATOM 0 HG2 GLN A 127 11.749 -17.717 37.343 1.00 61.25 H new ATOM 0 HG3 GLN A 127 13.107 -17.257 38.351 1.00 61.25 H new ATOM 0 HE21 GLN A 127 12.346 -19.651 36.514 1.00 11.14 H new ATOM 0 HE22 GLN A 127 12.796 -21.059 37.482 1.00 11.14 H new ATOM 2012 N VAL A 128 9.154 -15.037 38.341 1.00 63.21 N ATOM 2013 CA VAL A 128 8.935 -13.905 37.449 1.00 52.32 C ATOM 2014 C VAL A 128 10.230 -13.135 37.211 1.00 73.25 C ATOM 2015 O VAL A 128 11.218 -13.327 37.919 1.00 43.24 O ATOM 2016 CB VAL A 128 7.875 -12.941 38.014 1.00 23.40 C ATOM 2017 CG1 VAL A 128 6.551 -13.662 38.214 1.00 21.53 C ATOM 2018 CG2 VAL A 128 8.358 -12.323 39.318 1.00 25.33 C ATOM 0 H VAL A 128 8.944 -14.848 39.321 1.00 63.21 H new ATOM 0 HA VAL A 128 8.577 -14.312 36.503 1.00 52.32 H new ATOM 0 HB VAL A 128 7.719 -12.138 37.294 1.00 23.40 H new ATOM 0 HG11 VAL A 128 5.814 -12.965 38.614 1.00 21.53 H new ATOM 0 HG12 VAL A 128 6.201 -14.052 37.258 1.00 21.53 H new ATOM 0 HG13 VAL A 128 6.688 -14.487 38.914 1.00 21.53 H new ATOM 0 HG21 VAL A 128 7.597 -11.645 39.703 1.00 25.33 H new ATOM 0 HG22 VAL A 128 8.544 -13.111 40.047 1.00 25.33 H new ATOM 0 HG23 VAL A 128 9.280 -11.770 39.139 1.00 25.33 H new ATOM 2028 N SER A 129 10.217 -12.262 36.209 1.00 71.44 N ATOM 2029 CA SER A 129 11.391 -11.465 35.874 1.00 60.13 C ATOM 2030 C SER A 129 11.493 -10.240 36.780 1.00 24.41 C ATOM 2031 O SER A 129 10.654 -10.035 37.657 1.00 15.12 O ATOM 2032 CB SER A 129 11.337 -11.026 34.410 1.00 24.31 C ATOM 2033 OG SER A 129 12.573 -11.262 33.760 1.00 33.43 O ATOM 0 H SER A 129 9.406 -12.089 35.615 1.00 71.44 H new ATOM 0 HA SER A 129 12.275 -12.085 36.027 1.00 60.13 H new ATOM 0 HB2 SER A 129 10.543 -11.566 33.894 1.00 24.31 H new ATOM 0 HB3 SER A 129 11.090 -9.966 34.354 1.00 24.31 H new ATOM 0 HG SER A 129 12.511 -10.974 32.825 1.00 33.43 H new ATOM 2039 N GLN A 130 12.525 -9.433 36.559 1.00 3.43 N ATOM 2040 CA GLN A 130 12.736 -8.230 37.355 1.00 2.02 C ATOM 2041 C GLN A 130 12.171 -7.003 36.647 1.00 52.32 C ATOM 2042 O GLN A 130 12.907 -6.078 36.304 1.00 34.34 O ATOM 2043 CB GLN A 130 14.228 -8.031 37.631 1.00 62.43 C ATOM 2044 CG GLN A 130 15.082 -8.004 36.374 1.00 3.21 C ATOM 2045 CD GLN A 130 16.183 -6.966 36.440 1.00 13.40 C ATOM 2046 OE1 GLN A 130 16.476 -6.421 37.504 1.00 73.13 O ATOM 2047 NE2 GLN A 130 16.802 -6.685 35.299 1.00 12.32 N ATOM 0 H GLN A 130 13.227 -9.590 35.836 1.00 3.43 H new ATOM 0 HA GLN A 130 12.211 -8.355 38.302 1.00 2.02 H new ATOM 0 HB2 GLN A 130 14.367 -7.096 38.174 1.00 62.43 H new ATOM 0 HB3 GLN A 130 14.579 -8.833 38.281 1.00 62.43 H new ATOM 0 HG2 GLN A 130 15.524 -8.988 36.219 1.00 3.21 H new ATOM 0 HG3 GLN A 130 14.447 -7.800 35.512 1.00 3.21 H new ATOM 0 HE21 GLN A 130 16.527 -7.160 34.439 1.00 12.32 H new ATOM 0 HE22 GLN A 130 17.552 -5.994 35.282 1.00 12.32 H new ATOM 2056 N ASN A 131 10.859 -7.001 36.432 1.00 33.15 N ATOM 2057 CA ASN A 131 10.196 -5.887 35.764 1.00 72.45 C ATOM 2058 C ASN A 131 9.214 -5.196 36.706 1.00 20.04 C ATOM 2059 O ASN A 131 8.770 -5.779 37.695 1.00 35.22 O ATOM 2060 CB ASN A 131 9.462 -6.380 34.515 1.00 1.25 C ATOM 2061 CG ASN A 131 8.404 -7.417 34.837 1.00 24.14 C ATOM 2062 OD1 ASN A 131 8.719 -8.526 35.270 1.00 45.20 O ATOM 2063 ND2 ASN A 131 7.142 -7.061 34.627 1.00 31.45 N ATOM 0 H ASN A 131 10.235 -7.758 36.711 1.00 33.15 H new ATOM 0 HA ASN A 131 10.958 -5.165 35.469 1.00 72.45 H new ATOM 0 HB2 ASN A 131 8.995 -5.532 34.013 1.00 1.25 H new ATOM 0 HB3 ASN A 131 10.183 -6.806 33.817 1.00 1.25 H new ATOM 0 HD21 ASN A 131 6.387 -7.717 34.826 1.00 31.45 H new ATOM 0 HD22 ASN A 131 6.928 -6.131 34.267 1.00 31.45 H new ATOM 2070 N TYR A 132 8.878 -3.950 36.390 1.00 33.20 N ATOM 2071 CA TYR A 132 7.951 -3.178 37.207 1.00 55.22 C ATOM 2072 C TYR A 132 7.128 -2.225 36.345 1.00 64.44 C ATOM 2073 O TYR A 132 6.445 -1.341 36.859 1.00 21.01 O ATOM 2074 CB TYR A 132 8.713 -2.388 38.274 1.00 30.33 C ATOM 2075 CG TYR A 132 9.554 -3.256 39.182 1.00 52.31 C ATOM 2076 CD1 TYR A 132 8.963 -4.097 40.117 1.00 1.44 C ATOM 2077 CD2 TYR A 132 10.942 -3.234 39.107 1.00 31.11 C ATOM 2078 CE1 TYR A 132 9.728 -4.890 40.949 1.00 44.43 C ATOM 2079 CE2 TYR A 132 11.715 -4.024 39.936 1.00 20.23 C ATOM 2080 CZ TYR A 132 11.103 -4.850 40.855 1.00 33.31 C ATOM 2081 OH TYR A 132 11.869 -5.640 41.682 1.00 42.12 O ATOM 0 H TYR A 132 9.234 -3.454 35.573 1.00 33.20 H new ATOM 0 HA TYR A 132 7.272 -3.876 37.697 1.00 55.22 H new ATOM 0 HB2 TYR A 132 9.357 -1.658 37.783 1.00 30.33 H new ATOM 0 HB3 TYR A 132 8.000 -1.828 38.879 1.00 30.33 H new ATOM 0 HD1 TYR A 132 7.886 -4.131 40.194 1.00 1.44 H new ATOM 0 HD2 TYR A 132 11.424 -2.588 38.388 1.00 31.11 H new ATOM 0 HE1 TYR A 132 9.252 -5.538 41.670 1.00 44.43 H new ATOM 0 HE2 TYR A 132 12.792 -3.995 39.865 1.00 20.23 H new ATOM 0 HH TYR A 132 12.818 -5.494 41.487 1.00 42.12 H new TER 2091 TYR A 132 HETATM 2092 C1 MYR A 1 6.887 14.517 -0.366 1.00 61.44 C HETATM 2093 O1 MYR A 1 6.069 14.786 0.513 1.00 2.10 O HETATM 2094 C2 MYR A 1 7.887 13.389 -0.106 1.00 22.32 C HETATM 2095 C3 MYR A 1 7.247 11.996 0.093 1.00 73.53 C HETATM 2096 C4 MYR A 1 6.564 11.483 -1.188 1.00 44.42 C HETATM 2097 C5 MYR A 1 6.183 9.994 -1.087 1.00 21.52 C HETATM 2098 C6 MYR A 1 4.770 9.716 -1.636 1.00 73.11 C HETATM 2099 C7 MYR A 1 3.874 9.007 -0.603 1.00 42.41 C HETATM 2100 C8 MYR A 1 3.068 7.852 -1.225 1.00 34.30 C HETATM 2101 C9 MYR A 1 2.970 6.637 -0.283 1.00 31.22 C HETATM 2102 C10 MYR A 1 2.302 5.424 -0.962 1.00 22.43 C HETATM 2103 C11 MYR A 1 1.908 4.290 0.007 1.00 44.54 C HETATM 2104 C12 MYR A 1 1.842 2.892 -0.642 1.00 51.10 C HETATM 2105 C13 MYR A 1 0.498 2.190 -0.377 1.00 33.10 C HETATM 2106 C14 MYR A 1 0.578 0.682 -0.654 1.00 14.12 C HETATM 0 H143 MYR A 1 0.850 0.518 -1.697 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.332 0.233 -0.007 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.391 0.224 -0.455 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.200 2.354 0.659 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.274 2.634 -1.005 1.00 33.10 H new HETATM 0 H122 MYR A 1 1.995 2.985 -1.717 1.00 51.10 H new HETATM 0 H121 MYR A 1 2.654 2.276 -0.256 1.00 51.10 H new HETATM 0 H112 MYR A 1 2.626 4.263 0.827 1.00 44.54 H new HETATM 0 H111 MYR A 1 0.936 4.522 0.442 1.00 44.54 H new HETATM 0 H102 MYR A 1 1.409 5.763 -1.488 1.00 22.43 H new HETATM 0 H101 MYR A 1 2.982 5.023 -1.714 1.00 22.43 H new HETATM 0 H92 MYR A 1 3.969 6.358 0.053 1.00 31.22 H new HETATM 0 H91 MYR A 1 2.401 6.913 0.605 1.00 31.22 H new HETATM 0 H82 MYR A 1 2.065 8.202 -1.470 1.00 34.30 H new HETATM 0 H81 MYR A 1 3.536 7.547 -2.161 1.00 34.30 H new HETATM 0 H72 MYR A 1 4.493 8.621 0.207 1.00 42.41 H new HETATM 0 H71 MYR A 1 3.188 9.731 -0.163 1.00 42.41 H new HETATM 0 H62 MYR A 1 4.306 10.657 -1.933 1.00 73.11 H new HETATM 0 H61 MYR A 1 4.845 9.101 -2.533 1.00 73.11 H new HETATM 0 H52 MYR A 1 6.909 9.397 -1.638 1.00 21.52 H new HETATM 0 H51 MYR A 1 6.235 9.677 -0.045 1.00 21.52 H new HETATM 0 H42 MYR A 1 5.668 12.073 -1.382 1.00 44.42 H new HETATM 0 H41 MYR A 1 7.232 11.629 -2.037 1.00 44.42 H new HETATM 0 H32 MYR A 1 8.014 11.286 0.403 1.00 73.53 H new HETATM 0 H31 MYR A 1 6.514 12.046 0.899 1.00 73.53 H new HETATM 0 H22 MYR A 1 8.583 13.338 -0.943 1.00 22.32 H new HETATM 0 H21 MYR A 1 8.471 13.636 0.780 1.00 22.32 H new