USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1075 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 65 GLN : amide:sc= 0 K(o=-0.15,f=-0.89) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.151 USER MOD Set 2.1: A 29 TYR OH : rot 160:sc= 0.522 USER MOD Set 2.2: A 97 THR OG1 : rot 116:sc= 1.81 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -135:sc= 0.133 (180deg=-1.62) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.2 K(o=-0.2,f=0.79) 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= 0.343 K(o=0.34,f=-6.1!) USER MOD Single : A 38 SER OG : rot 98:sc= 0.891 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 54 SER OG : rot 180:sc= 0.134 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.159 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.87) USER MOD Single : A 67 SER OG : rot 160:sc= -0.397 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 87:sc= 0.72 USER MOD Single : A 80 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6.1!) USER MOD Single : A 81 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.349 USER MOD Single : A 87 CYS SG : rot -159:sc= -0.645 USER MOD Single : A 89 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-8.4!) USER MOD Single : A 90 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.1) 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= 0.366 X(o=0.37,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 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 122 THR OG1 : rot 49:sc= 0.139 USER MOD Single : A 124 ASN : amide:sc= -0.0547 X(o=-0.055,f=0.007) USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.0609 X(o=-0.061,f=-0.33) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.3) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.228 12.035 8.502 1.00 4.13 N ATOM 2 CA GLY A 2 -0.559 11.438 9.644 1.00 2.25 C ATOM 3 C GLY A 2 -1.477 11.290 10.841 1.00 22.43 C ATOM 4 O GLY A 2 -1.184 11.795 11.923 1.00 12.51 O ATOM 0 HA2 GLY A 2 -0.172 10.458 9.363 1.00 2.25 H new ATOM 0 HA3 GLY A 2 0.298 12.052 9.921 1.00 2.25 H new ATOM 8 N ALA A 3 -2.594 10.594 10.646 1.00 75.40 N ATOM 9 CA ALA A 3 -3.557 10.380 11.718 1.00 73.25 C ATOM 10 C ALA A 3 -4.343 9.091 11.500 1.00 12.31 C ATOM 11 O ALA A 3 -5.372 9.088 10.824 1.00 42.43 O ATOM 12 CB ALA A 3 -4.503 11.567 11.822 1.00 65.30 C ATOM 0 H ALA A 3 -2.853 10.170 9.755 1.00 75.40 H new ATOM 0 HA ALA A 3 -3.007 10.285 12.654 1.00 73.25 H new ATOM 0 HB1 ALA A 3 -5.217 11.394 12.627 1.00 65.30 H new ATOM 0 HB2 ALA A 3 -3.931 12.471 12.033 1.00 65.30 H new ATOM 0 HB3 ALA A 3 -5.039 11.688 10.881 1.00 65.30 H new ATOM 18 N ARG A 4 -3.852 7.999 12.076 1.00 22.30 N ATOM 19 CA ARG A 4 -4.508 6.705 11.943 1.00 70.42 C ATOM 20 C ARG A 4 -4.572 6.275 10.480 1.00 23.13 C ATOM 21 O ARG A 4 -4.060 6.964 9.597 1.00 43.14 O ATOM 22 CB ARG A 4 -5.919 6.761 12.532 1.00 63.21 C ATOM 23 CG ARG A 4 -6.210 5.645 13.522 1.00 24.44 C ATOM 24 CD ARG A 4 -6.477 6.191 14.915 1.00 10.42 C ATOM 25 NE ARG A 4 -5.277 6.767 15.516 1.00 11.02 N ATOM 26 CZ ARG A 4 -5.296 7.555 16.585 1.00 14.41 C ATOM 27 NH1 ARG A 4 -6.447 7.860 17.169 1.00 32.13 N ATOM 28 NH2 ARG A 4 -4.161 8.041 17.073 1.00 72.35 N ATOM 0 H ARG A 4 -3.002 7.985 12.639 1.00 22.30 H new ATOM 0 HA ARG A 4 -3.921 5.970 12.494 1.00 70.42 H new ATOM 0 HB2 ARG A 4 -6.059 7.721 13.028 1.00 63.21 H new ATOM 0 HB3 ARG A 4 -6.645 6.713 11.720 1.00 63.21 H new ATOM 0 HG2 ARG A 4 -7.073 5.073 13.183 1.00 24.44 H new ATOM 0 HG3 ARG A 4 -5.365 4.957 13.555 1.00 24.44 H new ATOM 0 HD2 ARG A 4 -7.257 6.951 14.863 1.00 10.42 H new ATOM 0 HD3 ARG A 4 -6.853 5.391 15.552 1.00 10.42 H new ATOM 0 HE ARG A 4 -4.375 6.552 15.091 1.00 11.02 H new ATOM 0 HH11 ARG A 4 -7.321 7.489 16.797 1.00 32.13 H new ATOM 0 HH12 ARG A 4 -6.458 8.465 17.990 1.00 32.13 H new ATOM 0 HH21 ARG A 4 -3.273 7.809 16.627 1.00 72.35 H new ATOM 0 HH22 ARG A 4 -4.177 8.646 17.894 1.00 72.35 H new ATOM 42 N ALA A 5 -5.206 5.133 10.231 1.00 51.02 N ATOM 43 CA ALA A 5 -5.338 4.613 8.876 1.00 12.33 C ATOM 44 C ALA A 5 -6.787 4.671 8.406 1.00 4.25 C ATOM 45 O ALA A 5 -7.715 4.528 9.202 1.00 34.21 O ATOM 46 CB ALA A 5 -4.814 3.187 8.803 1.00 71.13 C ATOM 0 H ALA A 5 -5.636 4.551 10.950 1.00 51.02 H new ATOM 0 HA ALA A 5 -4.742 5.240 8.213 1.00 12.33 H new ATOM 0 HB1 ALA A 5 -4.919 2.812 7.785 1.00 71.13 H new ATOM 0 HB2 ALA A 5 -3.762 3.171 9.089 1.00 71.13 H new ATOM 0 HB3 ALA A 5 -5.384 2.554 9.483 1.00 71.13 H new ATOM 52 N SER A 6 -6.975 4.883 7.107 1.00 23.04 N ATOM 53 CA SER A 6 -8.313 4.964 6.530 1.00 70.23 C ATOM 54 C SER A 6 -8.243 5.222 5.028 1.00 50.34 C ATOM 55 O SER A 6 -9.090 5.916 4.466 1.00 40.33 O ATOM 56 CB SER A 6 -9.119 6.071 7.213 1.00 13.11 C ATOM 57 OG SER A 6 -8.351 7.256 7.340 1.00 31.11 O ATOM 0 H SER A 6 -6.218 5.002 6.434 1.00 23.04 H new ATOM 0 HA SER A 6 -8.811 4.008 6.693 1.00 70.23 H new ATOM 0 HB2 SER A 6 -10.020 6.278 6.636 1.00 13.11 H new ATOM 0 HB3 SER A 6 -9.442 5.735 8.199 1.00 13.11 H new ATOM 0 HG SER A 6 -8.888 7.949 7.778 1.00 31.11 H new ATOM 63 N VAL A 7 -7.227 4.658 4.385 1.00 32.34 N ATOM 64 CA VAL A 7 -7.046 4.825 2.947 1.00 34.50 C ATOM 65 C VAL A 7 -7.340 3.527 2.202 1.00 12.32 C ATOM 66 O VAL A 7 -8.085 3.517 1.221 1.00 41.40 O ATOM 67 CB VAL A 7 -5.613 5.283 2.612 1.00 21.32 C ATOM 68 CG1 VAL A 7 -5.437 5.426 1.108 1.00 2.20 C ATOM 69 CG2 VAL A 7 -5.293 6.590 3.322 1.00 61.21 C ATOM 0 H VAL A 7 -6.516 4.082 4.836 1.00 32.34 H new ATOM 0 HA VAL A 7 -7.750 5.593 2.626 1.00 34.50 H new ATOM 0 HB VAL A 7 -4.915 4.524 2.965 1.00 21.32 H new ATOM 0 HG11 VAL A 7 -4.419 5.750 0.890 1.00 2.20 H new ATOM 0 HG12 VAL A 7 -5.623 4.466 0.627 1.00 2.20 H new ATOM 0 HG13 VAL A 7 -6.142 6.165 0.728 1.00 2.20 H new ATOM 0 HG21 VAL A 7 -4.277 6.899 3.075 1.00 61.21 H new ATOM 0 HG22 VAL A 7 -5.995 7.360 3.001 1.00 61.21 H new ATOM 0 HG23 VAL A 7 -5.377 6.449 4.400 1.00 61.21 H new ATOM 79 N LEU A 8 -6.750 2.434 2.673 1.00 33.22 N ATOM 80 CA LEU A 8 -6.949 1.129 2.051 1.00 63.02 C ATOM 81 C LEU A 8 -8.285 0.524 2.471 1.00 4.44 C ATOM 82 O LEU A 8 -8.805 0.827 3.545 1.00 10.45 O ATOM 83 CB LEU A 8 -5.808 0.184 2.429 1.00 30.41 C ATOM 84 CG LEU A 8 -4.420 0.563 1.908 1.00 25.24 C ATOM 85 CD1 LEU A 8 -3.343 -0.218 2.642 1.00 71.21 C ATOM 86 CD2 LEU A 8 -4.330 0.321 0.408 1.00 61.12 C ATOM 0 H LEU A 8 -6.130 2.425 3.483 1.00 33.22 H new ATOM 0 HA LEU A 8 -6.957 1.266 0.970 1.00 63.02 H new ATOM 0 HB2 LEU A 8 -5.761 0.120 3.516 1.00 30.41 H new ATOM 0 HB3 LEU A 8 -6.052 -0.813 2.062 1.00 30.41 H new ATOM 0 HG LEU A 8 -4.260 1.625 2.095 1.00 25.24 H new ATOM 0 HD11 LEU A 8 -2.363 0.065 2.258 1.00 71.21 H new ATOM 0 HD12 LEU A 8 -3.394 0.006 3.708 1.00 71.21 H new ATOM 0 HD13 LEU A 8 -3.499 -1.286 2.488 1.00 71.21 H new ATOM 0 HD21 LEU A 8 -3.336 0.596 0.054 1.00 61.12 H new ATOM 0 HD22 LEU A 8 -4.511 -0.733 0.198 1.00 61.12 H new ATOM 0 HD23 LEU A 8 -5.078 0.927 -0.104 1.00 61.12 H new ATOM 98 N SER A 9 -8.835 -0.332 1.616 1.00 60.52 N ATOM 99 CA SER A 9 -10.111 -0.978 1.897 1.00 25.43 C ATOM 100 C SER A 9 -9.928 -2.151 2.856 1.00 74.41 C ATOM 101 O SER A 9 -8.866 -2.316 3.456 1.00 21.14 O ATOM 102 CB SER A 9 -10.757 -1.465 0.597 1.00 44.23 C ATOM 103 OG SER A 9 -10.813 -0.425 -0.363 1.00 4.05 O ATOM 0 H SER A 9 -8.417 -0.594 0.723 1.00 60.52 H new ATOM 0 HA SER A 9 -10.765 -0.244 2.368 1.00 25.43 H new ATOM 0 HB2 SER A 9 -10.188 -2.304 0.196 1.00 44.23 H new ATOM 0 HB3 SER A 9 -11.763 -1.830 0.802 1.00 44.23 H new ATOM 0 HG SER A 9 -11.228 -0.761 -1.185 1.00 4.05 H new ATOM 109 N GLY A 10 -10.971 -2.962 2.996 1.00 21.45 N ATOM 110 CA GLY A 10 -10.907 -4.109 3.883 1.00 34.43 C ATOM 111 C GLY A 10 -10.379 -5.350 3.189 1.00 2.30 C ATOM 112 O GLY A 10 -9.416 -5.964 3.646 1.00 63.32 O ATOM 0 H GLY A 10 -11.860 -2.845 2.511 1.00 21.45 H new ATOM 0 HA2 GLY A 10 -10.267 -3.872 4.733 1.00 34.43 H new ATOM 0 HA3 GLY A 10 -11.901 -4.314 4.280 1.00 34.43 H new ATOM 116 N GLY A 11 -11.014 -5.722 2.081 1.00 3.31 N ATOM 117 CA GLY A 11 -10.591 -6.896 1.342 1.00 23.15 C ATOM 118 C GLY A 11 -9.200 -6.745 0.759 1.00 1.43 C ATOM 119 O GLY A 11 -8.531 -7.735 0.468 1.00 23.53 O ATOM 0 H GLY A 11 -11.814 -5.230 1.683 1.00 3.31 H new ATOM 0 HA2 GLY A 11 -10.613 -7.764 2.001 1.00 23.15 H new ATOM 0 HA3 GLY A 11 -11.300 -7.089 0.537 1.00 23.15 H new ATOM 123 N GLU A 12 -8.764 -5.500 0.588 1.00 31.14 N ATOM 124 CA GLU A 12 -7.445 -5.224 0.032 1.00 52.44 C ATOM 125 C GLU A 12 -6.377 -5.259 1.124 1.00 22.33 C ATOM 126 O GLU A 12 -5.295 -5.816 0.931 1.00 43.20 O ATOM 127 CB GLU A 12 -7.434 -3.860 -0.661 1.00 2.13 C ATOM 128 CG GLU A 12 -7.164 -3.939 -2.155 1.00 75.43 C ATOM 129 CD GLU A 12 -8.418 -3.752 -2.986 1.00 65.40 C ATOM 130 OE1 GLU A 12 -8.862 -2.596 -3.139 1.00 11.51 O ATOM 131 OE2 GLU A 12 -8.956 -4.765 -3.483 1.00 71.04 O ATOM 0 H GLU A 12 -9.304 -4.668 0.826 1.00 31.14 H new ATOM 0 HA GLU A 12 -7.219 -5.998 -0.701 1.00 52.44 H new ATOM 0 HB2 GLU A 12 -8.395 -3.372 -0.499 1.00 2.13 H new ATOM 0 HB3 GLU A 12 -6.675 -3.231 -0.196 1.00 2.13 H new ATOM 0 HG2 GLU A 12 -6.434 -3.177 -2.429 1.00 75.43 H new ATOM 0 HG3 GLU A 12 -6.719 -4.906 -2.389 1.00 75.43 H new ATOM 138 N LEU A 13 -6.690 -4.661 2.267 1.00 52.52 N ATOM 139 CA LEU A 13 -5.759 -4.622 3.390 1.00 31.12 C ATOM 140 C LEU A 13 -5.224 -6.017 3.701 1.00 51.15 C ATOM 141 O LEU A 13 -4.023 -6.201 3.901 1.00 23.53 O ATOM 142 CB LEU A 13 -6.444 -4.039 4.627 1.00 53.50 C ATOM 143 CG LEU A 13 -5.528 -3.343 5.635 1.00 44.32 C ATOM 144 CD1 LEU A 13 -4.319 -4.211 5.945 1.00 71.14 C ATOM 145 CD2 LEU A 13 -5.091 -1.983 5.110 1.00 71.13 C ATOM 0 H LEU A 13 -7.581 -4.196 2.442 1.00 52.52 H new ATOM 0 HA LEU A 13 -4.920 -3.984 3.113 1.00 31.12 H new ATOM 0 HB2 LEU A 13 -7.198 -3.324 4.297 1.00 53.50 H new ATOM 0 HB3 LEU A 13 -6.970 -4.844 5.140 1.00 53.50 H new ATOM 0 HG LEU A 13 -6.086 -3.190 6.559 1.00 44.32 H new ATOM 0 HD11 LEU A 13 -3.679 -3.700 6.664 1.00 71.14 H new ATOM 0 HD12 LEU A 13 -4.651 -5.160 6.366 1.00 71.14 H new ATOM 0 HD13 LEU A 13 -3.759 -4.396 5.028 1.00 71.14 H new ATOM 0 HD21 LEU A 13 -4.440 -1.503 5.841 1.00 71.13 H new ATOM 0 HD22 LEU A 13 -4.551 -2.111 4.172 1.00 71.13 H new ATOM 0 HD23 LEU A 13 -5.969 -1.359 4.941 1.00 71.13 H new ATOM 157 N ASP A 14 -6.123 -6.994 3.740 1.00 52.22 N ATOM 158 CA ASP A 14 -5.741 -8.373 4.025 1.00 11.35 C ATOM 159 C ASP A 14 -4.820 -8.916 2.937 1.00 72.04 C ATOM 160 O ASP A 14 -3.818 -9.571 3.228 1.00 32.44 O ATOM 161 CB ASP A 14 -6.986 -9.254 4.144 1.00 33.21 C ATOM 162 CG ASP A 14 -6.663 -10.730 4.012 1.00 62.13 C ATOM 163 OD1 ASP A 14 -5.569 -11.141 4.452 1.00 40.31 O ATOM 164 OD2 ASP A 14 -7.507 -11.475 3.472 1.00 4.22 O ATOM 0 H ASP A 14 -7.121 -6.857 3.578 1.00 52.22 H new ATOM 0 HA ASP A 14 -5.203 -8.388 4.973 1.00 11.35 H new ATOM 0 HB2 ASP A 14 -7.465 -9.074 5.107 1.00 33.21 H new ATOM 0 HB3 ASP A 14 -7.703 -8.971 3.373 1.00 33.21 H new ATOM 169 N LYS A 15 -5.165 -8.641 1.684 1.00 74.04 N ATOM 170 CA LYS A 15 -4.369 -9.102 0.552 1.00 61.13 C ATOM 171 C LYS A 15 -2.991 -8.447 0.553 1.00 3.12 C ATOM 172 O LYS A 15 -2.006 -9.054 0.133 1.00 51.42 O ATOM 173 CB LYS A 15 -5.090 -8.797 -0.763 1.00 40.53 C ATOM 174 CG LYS A 15 -5.526 -10.038 -1.520 1.00 42.13 C ATOM 175 CD LYS A 15 -7.015 -10.011 -1.826 1.00 53.22 C ATOM 176 CE LYS A 15 -7.332 -9.061 -2.970 1.00 1.44 C ATOM 177 NZ LYS A 15 -7.770 -7.725 -2.477 1.00 61.53 N ATOM 0 H LYS A 15 -5.991 -8.101 1.426 1.00 74.04 H new ATOM 0 HA LYS A 15 -4.239 -10.180 0.646 1.00 61.13 H new ATOM 0 HB2 LYS A 15 -5.966 -8.183 -0.553 1.00 40.53 H new ATOM 0 HB3 LYS A 15 -4.432 -8.206 -1.400 1.00 40.53 H new ATOM 0 HG2 LYS A 15 -4.964 -10.114 -2.451 1.00 42.13 H new ATOM 0 HG3 LYS A 15 -5.291 -10.925 -0.932 1.00 42.13 H new ATOM 0 HD2 LYS A 15 -7.353 -11.015 -2.081 1.00 53.22 H new ATOM 0 HD3 LYS A 15 -7.565 -9.706 -0.936 1.00 53.22 H new ATOM 0 HE2 LYS A 15 -6.450 -8.944 -3.600 1.00 1.44 H new ATOM 0 HE3 LYS A 15 -8.115 -9.492 -3.594 1.00 1.44 H new ATOM 0 HZ1 LYS A 15 -8.604 -7.413 -3.014 1.00 61.53 H new ATOM 0 HZ2 LYS A 15 -8.012 -7.790 -1.468 1.00 61.53 H new ATOM 0 HZ3 LYS A 15 -7.000 -7.038 -2.605 1.00 61.53 H new ATOM 191 N TRP A 16 -2.931 -7.208 1.028 1.00 20.25 N ATOM 192 CA TRP A 16 -1.673 -6.471 1.084 1.00 23.51 C ATOM 193 C TRP A 16 -0.655 -7.200 1.954 1.00 14.02 C ATOM 194 O TRP A 16 0.487 -7.407 1.546 1.00 33.12 O ATOM 195 CB TRP A 16 -1.909 -5.061 1.624 1.00 53.20 C ATOM 196 CG TRP A 16 -0.642 -4.348 1.994 1.00 43.41 C ATOM 197 CD1 TRP A 16 -0.141 -4.167 3.252 1.00 24.14 C ATOM 198 CD2 TRP A 16 0.280 -3.719 1.099 1.00 32.14 C ATOM 199 NE1 TRP A 16 1.037 -3.463 3.191 1.00 72.53 N ATOM 200 CE2 TRP A 16 1.319 -3.178 1.882 1.00 4.22 C ATOM 201 CE3 TRP A 16 0.332 -3.563 -0.289 1.00 11.01 C ATOM 202 CZ2 TRP A 16 2.393 -2.493 1.322 1.00 10.42 C ATOM 203 CZ3 TRP A 16 1.399 -2.882 -0.843 1.00 13.21 C ATOM 204 CH2 TRP A 16 2.418 -2.354 -0.040 1.00 52.32 C ATOM 0 H TRP A 16 -3.738 -6.693 1.380 1.00 20.25 H new ATOM 0 HA TRP A 16 -1.274 -6.402 0.072 1.00 23.51 H new ATOM 0 HB2 TRP A 16 -2.441 -4.476 0.874 1.00 53.20 H new ATOM 0 HB3 TRP A 16 -2.555 -5.118 2.500 1.00 53.20 H new ATOM 0 HD1 TRP A 16 -0.603 -4.525 4.160 1.00 24.14 H new ATOM 0 HE1 TRP A 16 1.609 -3.196 3.992 1.00 72.53 H new ATOM 0 HE3 TRP A 16 -0.448 -3.967 -0.917 1.00 11.01 H new ATOM 0 HZ2 TRP A 16 3.179 -2.085 1.940 1.00 10.42 H new ATOM 0 HZ3 TRP A 16 1.448 -2.755 -1.914 1.00 13.21 H new ATOM 0 HH2 TRP A 16 3.239 -1.827 -0.504 1.00 52.32 H new ATOM 215 N GLU A 17 -1.077 -7.586 3.154 1.00 72.22 N ATOM 216 CA GLU A 17 -0.199 -8.291 4.081 1.00 3.31 C ATOM 217 C GLU A 17 -0.018 -9.746 3.659 1.00 12.11 C ATOM 218 O GLU A 17 0.879 -10.438 4.143 1.00 25.15 O ATOM 219 CB GLU A 17 -0.765 -8.227 5.502 1.00 53.10 C ATOM 220 CG GLU A 17 -0.718 -6.837 6.113 1.00 54.14 C ATOM 221 CD GLU A 17 -0.859 -6.859 7.623 1.00 24.14 C ATOM 222 OE1 GLU A 17 -1.368 -7.866 8.157 1.00 33.44 O ATOM 223 OE2 GLU A 17 -0.463 -5.868 8.271 1.00 14.14 O ATOM 0 H GLU A 17 -2.020 -7.423 3.507 1.00 72.22 H new ATOM 0 HA GLU A 17 0.775 -7.802 4.063 1.00 3.31 H new ATOM 0 HB2 GLU A 17 -1.798 -8.574 5.489 1.00 53.10 H new ATOM 0 HB3 GLU A 17 -0.206 -8.914 6.138 1.00 53.10 H new ATOM 0 HG2 GLU A 17 0.225 -6.359 5.847 1.00 54.14 H new ATOM 0 HG3 GLU A 17 -1.516 -6.229 5.686 1.00 54.14 H new ATOM 230 N LYS A 18 -0.876 -10.205 2.754 1.00 72.14 N ATOM 231 CA LYS A 18 -0.812 -11.577 2.265 1.00 21.03 C ATOM 232 C LYS A 18 0.499 -11.832 1.529 1.00 1.20 C ATOM 233 O LYS A 18 1.356 -12.575 2.007 1.00 3.12 O ATOM 234 CB LYS A 18 -1.995 -11.864 1.337 1.00 22.34 C ATOM 235 CG LYS A 18 -2.271 -13.346 1.145 1.00 71.04 C ATOM 236 CD LYS A 18 -3.360 -13.836 2.084 1.00 62.41 C ATOM 237 CE LYS A 18 -3.270 -15.338 2.306 1.00 44.12 C ATOM 238 NZ LYS A 18 -2.915 -15.670 3.714 1.00 23.45 N ATOM 0 H LYS A 18 -1.624 -9.646 2.344 1.00 72.14 H new ATOM 0 HA LYS A 18 -0.861 -12.246 3.124 1.00 21.03 H new ATOM 0 HB2 LYS A 18 -2.887 -11.386 1.741 1.00 22.34 H new ATOM 0 HB3 LYS A 18 -1.802 -11.410 0.365 1.00 22.34 H new ATOM 0 HG2 LYS A 18 -2.569 -13.531 0.113 1.00 71.04 H new ATOM 0 HG3 LYS A 18 -1.357 -13.913 1.319 1.00 71.04 H new ATOM 0 HD2 LYS A 18 -3.276 -13.320 3.041 1.00 62.41 H new ATOM 0 HD3 LYS A 18 -4.337 -13.586 1.671 1.00 62.41 H new ATOM 0 HE2 LYS A 18 -4.224 -15.800 2.053 1.00 44.12 H new ATOM 0 HE3 LYS A 18 -2.523 -15.760 1.634 1.00 44.12 H new ATOM 0 HZ1 LYS A 18 -2.863 -16.703 3.825 1.00 23.45 H new ATOM 0 HZ2 LYS A 18 -1.993 -15.250 3.948 1.00 23.45 H new ATOM 0 HZ3 LYS A 18 -3.641 -15.289 4.354 1.00 23.45 H new ATOM 252 N ILE A 19 0.649 -11.209 0.364 1.00 71.31 N ATOM 253 CA ILE A 19 1.857 -11.367 -0.436 1.00 60.23 C ATOM 254 C ILE A 19 3.106 -11.305 0.437 1.00 73.42 C ATOM 255 O ILE A 19 3.113 -10.660 1.485 1.00 45.33 O ATOM 256 CB ILE A 19 1.954 -10.286 -1.528 1.00 11.41 C ATOM 257 CG1 ILE A 19 0.742 -10.361 -2.460 1.00 52.35 C ATOM 258 CG2 ILE A 19 3.246 -10.444 -2.316 1.00 21.34 C ATOM 259 CD1 ILE A 19 0.396 -9.039 -3.108 1.00 55.43 C ATOM 0 H ILE A 19 -0.051 -10.591 -0.046 1.00 71.31 H new ATOM 0 HA ILE A 19 1.796 -12.347 -0.910 1.00 60.23 H new ATOM 0 HB ILE A 19 1.960 -9.307 -1.050 1.00 11.41 H new ATOM 0 HG12 ILE A 19 0.938 -11.098 -3.239 1.00 52.35 H new ATOM 0 HG13 ILE A 19 -0.120 -10.716 -1.895 1.00 52.35 H new ATOM 0 HG21 ILE A 19 3.300 -9.673 -3.084 1.00 21.34 H new ATOM 0 HG22 ILE A 19 4.097 -10.346 -1.642 1.00 21.34 H new ATOM 0 HG23 ILE A 19 3.267 -11.427 -2.787 1.00 21.34 H new ATOM 0 HD11 ILE A 19 -0.472 -9.167 -3.755 1.00 55.43 H new ATOM 0 HD12 ILE A 19 0.168 -8.304 -2.336 1.00 55.43 H new ATOM 0 HD13 ILE A 19 1.242 -8.692 -3.701 1.00 55.43 H new ATOM 271 N ARG A 20 4.163 -11.981 -0.004 1.00 1.40 N ATOM 272 CA ARG A 20 5.419 -12.003 0.737 1.00 4.25 C ATOM 273 C ARG A 20 6.300 -10.819 0.348 1.00 5.22 C ATOM 274 O ARG A 20 5.856 -9.903 -0.346 1.00 52.21 O ATOM 275 CB ARG A 20 6.164 -13.313 0.480 1.00 1.22 C ATOM 276 CG ARG A 20 5.319 -14.553 0.723 1.00 43.41 C ATOM 277 CD ARG A 20 6.114 -15.825 0.479 1.00 73.43 C ATOM 278 NE ARG A 20 5.425 -17.008 0.990 1.00 32.12 N ATOM 279 CZ ARG A 20 5.716 -18.249 0.614 1.00 53.50 C ATOM 280 NH1 ARG A 20 6.679 -18.468 -0.271 1.00 41.32 N ATOM 281 NH2 ARG A 20 5.044 -19.273 1.124 1.00 43.34 N ATOM 0 H ARG A 20 4.174 -12.520 -0.870 1.00 1.40 H new ATOM 0 HA ARG A 20 5.187 -11.928 1.799 1.00 4.25 H new ATOM 0 HB2 ARG A 20 6.520 -13.323 -0.550 1.00 1.22 H new ATOM 0 HB3 ARG A 20 7.044 -13.352 1.122 1.00 1.22 H new ATOM 0 HG2 ARG A 20 4.947 -14.546 1.748 1.00 43.41 H new ATOM 0 HG3 ARG A 20 4.448 -14.535 0.068 1.00 43.41 H new ATOM 0 HD2 ARG A 20 6.291 -15.942 -0.590 1.00 73.43 H new ATOM 0 HD3 ARG A 20 7.090 -15.740 0.956 1.00 73.43 H new ATOM 0 HE ARG A 20 4.679 -16.874 1.673 1.00 32.12 H new ATOM 0 HH11 ARG A 20 7.198 -17.683 -0.665 1.00 41.32 H new ATOM 0 HH12 ARG A 20 6.901 -19.421 -0.558 1.00 41.32 H new ATOM 0 HH21 ARG A 20 4.303 -19.108 1.805 1.00 43.34 H new ATOM 0 HH22 ARG A 20 5.268 -20.225 0.835 1.00 43.34 H new ATOM 295 N LEU A 21 7.548 -10.844 0.801 1.00 32.35 N ATOM 296 CA LEU A 21 8.493 -9.773 0.501 1.00 24.24 C ATOM 297 C LEU A 21 9.539 -10.235 -0.509 1.00 61.42 C ATOM 298 O LEU A 21 9.881 -9.508 -1.440 1.00 62.41 O ATOM 299 CB LEU A 21 9.178 -9.297 1.782 1.00 72.42 C ATOM 300 CG LEU A 21 8.251 -8.863 2.919 1.00 35.54 C ATOM 301 CD1 LEU A 21 9.056 -8.274 4.067 1.00 52.13 C ATOM 302 CD2 LEU A 21 7.225 -7.859 2.414 1.00 30.10 C ATOM 0 H LEU A 21 7.930 -11.594 1.377 1.00 32.35 H new ATOM 0 HA LEU A 21 7.937 -8.943 0.065 1.00 24.24 H new ATOM 0 HB2 LEU A 21 9.817 -10.100 2.148 1.00 72.42 H new ATOM 0 HB3 LEU A 21 9.830 -8.460 1.532 1.00 72.42 H new ATOM 0 HG LEU A 21 7.721 -9.741 3.287 1.00 35.54 H new ATOM 0 HD11 LEU A 21 8.381 -7.971 4.867 1.00 52.13 H new ATOM 0 HD12 LEU A 21 9.753 -9.023 4.445 1.00 52.13 H new ATOM 0 HD13 LEU A 21 9.613 -7.406 3.713 1.00 52.13 H new ATOM 0 HD21 LEU A 21 6.573 -7.560 3.235 1.00 30.10 H new ATOM 0 HD22 LEU A 21 7.738 -6.981 2.020 1.00 30.10 H new ATOM 0 HD23 LEU A 21 6.628 -8.315 1.624 1.00 30.10 H new ATOM 314 N ARG A 22 10.040 -11.451 -0.317 1.00 14.12 N ATOM 315 CA ARG A 22 11.047 -12.011 -1.211 1.00 71.34 C ATOM 316 C ARG A 22 10.478 -13.187 -2.000 1.00 34.12 C ATOM 317 O ARG A 22 9.390 -13.687 -1.718 1.00 64.41 O ATOM 318 CB ARG A 22 12.272 -12.464 -0.415 1.00 51.42 C ATOM 319 CG ARG A 22 13.449 -11.506 -0.512 1.00 43.11 C ATOM 320 CD ARG A 22 14.669 -12.047 0.218 1.00 51.21 C ATOM 321 NE ARG A 22 15.648 -12.618 -0.703 1.00 60.15 N ATOM 322 CZ ARG A 22 16.368 -11.895 -1.553 1.00 13.32 C ATOM 323 NH1 ARG A 22 16.220 -10.578 -1.599 1.00 23.11 N ATOM 324 NH2 ARG A 22 17.239 -12.489 -2.359 1.00 51.33 N ATOM 0 H ARG A 22 9.766 -12.067 0.449 1.00 14.12 H new ATOM 0 HA ARG A 22 11.346 -11.233 -1.913 1.00 71.34 H new ATOM 0 HB2 ARG A 22 11.993 -12.578 0.632 1.00 51.42 H new ATOM 0 HB3 ARG A 22 12.583 -13.446 -0.771 1.00 51.42 H new ATOM 0 HG2 ARG A 22 13.696 -11.336 -1.560 1.00 43.11 H new ATOM 0 HG3 ARG A 22 13.170 -10.541 -0.090 1.00 43.11 H new ATOM 0 HD2 ARG A 22 15.134 -11.245 0.790 1.00 51.21 H new ATOM 0 HD3 ARG A 22 14.356 -12.808 0.933 1.00 51.21 H new ATOM 0 HE ARG A 22 15.787 -13.629 -0.693 1.00 60.15 H new ATOM 0 HH11 ARG A 22 15.552 -10.118 -0.981 1.00 23.11 H new ATOM 0 HH12 ARG A 22 16.774 -10.025 -2.253 1.00 23.11 H new ATOM 0 HH21 ARG A 22 17.356 -13.502 -2.326 1.00 51.33 H new ATOM 0 HH22 ARG A 22 17.792 -11.933 -3.012 1.00 51.33 H new ATOM 338 N PRO A 23 11.232 -13.639 -3.015 1.00 50.24 N ATOM 339 CA PRO A 23 10.824 -14.760 -3.865 1.00 2.15 C ATOM 340 C PRO A 23 10.851 -16.092 -3.122 1.00 14.32 C ATOM 341 O PRO A 23 9.882 -16.848 -3.149 1.00 65.11 O ATOM 342 CB PRO A 23 11.865 -14.752 -4.987 1.00 14.42 C ATOM 343 CG PRO A 23 13.065 -14.104 -4.385 1.00 21.32 C ATOM 344 CD PRO A 23 12.541 -13.089 -3.407 1.00 24.54 C ATOM 0 HA PRO A 23 9.798 -14.652 -4.216 1.00 2.15 H new ATOM 0 HB2 PRO A 23 12.089 -15.763 -5.326 1.00 14.42 H new ATOM 0 HB3 PRO A 23 11.508 -14.197 -5.854 1.00 14.42 H new ATOM 0 HG2 PRO A 23 13.695 -14.839 -3.884 1.00 21.32 H new ATOM 0 HG3 PRO A 23 13.677 -13.628 -5.151 1.00 21.32 H new ATOM 0 HD2 PRO A 23 13.204 -12.978 -2.549 1.00 24.54 H new ATOM 0 HD3 PRO A 23 12.443 -12.104 -3.863 1.00 24.54 H new ATOM 352 N GLY A 24 11.969 -16.371 -2.459 1.00 12.02 N ATOM 353 CA GLY A 24 12.101 -17.612 -1.719 1.00 54.32 C ATOM 354 C GLY A 24 12.192 -17.387 -0.222 1.00 63.01 C ATOM 355 O GLY A 24 13.019 -17.996 0.455 1.00 63.55 O ATOM 0 H GLY A 24 12.785 -15.760 -2.421 1.00 12.02 H new ATOM 0 HA2 GLY A 24 11.247 -18.253 -1.936 1.00 54.32 H new ATOM 0 HA3 GLY A 24 12.991 -18.141 -2.059 1.00 54.32 H new ATOM 359 N GLY A 25 11.340 -16.507 0.295 1.00 70.31 N ATOM 360 CA GLY A 25 11.345 -16.217 1.717 1.00 0.41 C ATOM 361 C GLY A 25 10.018 -16.532 2.378 1.00 73.30 C ATOM 362 O GLY A 25 9.180 -17.229 1.805 1.00 50.33 O ATOM 0 H GLY A 25 10.647 -15.990 -0.245 1.00 70.31 H new ATOM 0 HA2 GLY A 25 12.134 -16.794 2.200 1.00 0.41 H new ATOM 0 HA3 GLY A 25 11.582 -15.164 1.869 1.00 0.41 H new ATOM 366 N LYS A 26 9.825 -16.020 3.589 1.00 52.21 N ATOM 367 CA LYS A 26 8.591 -16.249 4.330 1.00 62.14 C ATOM 368 C LYS A 26 8.063 -14.948 4.924 1.00 63.21 C ATOM 369 O LYS A 26 7.074 -14.944 5.659 1.00 32.42 O ATOM 370 CB LYS A 26 8.824 -17.273 5.443 1.00 45.04 C ATOM 371 CG LYS A 26 7.638 -18.191 5.683 1.00 45.44 C ATOM 372 CD LYS A 26 8.082 -19.561 6.167 1.00 22.31 C ATOM 373 CE LYS A 26 7.116 -20.649 5.722 1.00 74.43 C ATOM 374 NZ LYS A 26 7.550 -21.290 4.450 1.00 3.52 N ATOM 0 H LYS A 26 10.509 -15.443 4.078 1.00 52.21 H new ATOM 0 HA LYS A 26 7.846 -16.638 3.636 1.00 62.14 H new ATOM 0 HB2 LYS A 26 9.696 -17.877 5.192 1.00 45.04 H new ATOM 0 HB3 LYS A 26 9.057 -16.745 6.368 1.00 45.04 H new ATOM 0 HG2 LYS A 26 6.972 -17.742 6.420 1.00 45.44 H new ATOM 0 HG3 LYS A 26 7.067 -18.297 4.761 1.00 45.44 H new ATOM 0 HD2 LYS A 26 9.079 -19.778 5.783 1.00 22.31 H new ATOM 0 HD3 LYS A 26 8.153 -19.559 7.255 1.00 22.31 H new ATOM 0 HE2 LYS A 26 7.038 -21.406 6.502 1.00 74.43 H new ATOM 0 HE3 LYS A 26 6.122 -20.221 5.592 1.00 74.43 H new ATOM 0 HZ1 LYS A 26 6.866 -22.025 4.181 1.00 3.52 H new ATOM 0 HZ2 LYS A 26 7.600 -20.572 3.699 1.00 3.52 H new ATOM 0 HZ3 LYS A 26 8.488 -21.721 4.581 1.00 3.52 H new ATOM 388 N LYS A 27 8.726 -13.843 4.602 1.00 33.22 N ATOM 389 CA LYS A 27 8.323 -12.534 5.100 1.00 65.04 C ATOM 390 C LYS A 27 7.161 -11.976 4.285 1.00 1.35 C ATOM 391 O LYS A 27 7.119 -12.126 3.064 1.00 70.14 O ATOM 392 CB LYS A 27 9.504 -11.563 5.057 1.00 3.43 C ATOM 393 CG LYS A 27 10.609 -11.904 6.041 1.00 23.13 C ATOM 394 CD LYS A 27 11.293 -10.653 6.568 1.00 31.42 C ATOM 395 CE LYS A 27 11.570 -10.756 8.059 1.00 13.51 C ATOM 396 NZ LYS A 27 12.049 -9.464 8.624 1.00 74.13 N ATOM 0 H LYS A 27 9.547 -13.828 3.997 1.00 33.22 H new ATOM 0 HA LYS A 27 7.995 -12.651 6.133 1.00 65.04 H new ATOM 0 HB2 LYS A 27 9.918 -11.552 4.049 1.00 3.43 H new ATOM 0 HB3 LYS A 27 9.143 -10.556 5.264 1.00 3.43 H new ATOM 0 HG2 LYS A 27 10.193 -12.471 6.874 1.00 23.13 H new ATOM 0 HG3 LYS A 27 11.345 -12.545 5.555 1.00 23.13 H new ATOM 0 HD2 LYS A 27 12.230 -10.496 6.033 1.00 31.42 H new ATOM 0 HD3 LYS A 27 10.665 -9.784 6.373 1.00 31.42 H new ATOM 0 HE2 LYS A 27 10.662 -11.064 8.577 1.00 13.51 H new ATOM 0 HE3 LYS A 27 12.317 -11.530 8.237 1.00 13.51 H new ATOM 0 HZ1 LYS A 27 12.227 -9.575 9.643 1.00 74.13 H new ATOM 0 HZ2 LYS A 27 12.929 -9.182 8.148 1.00 74.13 H new ATOM 0 HZ3 LYS A 27 11.326 -8.731 8.477 1.00 74.13 H new ATOM 410 N GLN A 28 6.220 -11.330 4.968 1.00 12.05 N ATOM 411 CA GLN A 28 5.059 -10.749 4.305 1.00 2.35 C ATOM 412 C GLN A 28 5.091 -9.226 4.385 1.00 74.13 C ATOM 413 O GLN A 28 6.013 -8.645 4.960 1.00 3.42 O ATOM 414 CB GLN A 28 3.769 -11.277 4.934 1.00 51.40 C ATOM 415 CG GLN A 28 3.870 -12.717 5.412 1.00 62.05 C ATOM 416 CD GLN A 28 4.204 -12.820 6.888 1.00 32.34 C ATOM 417 OE1 GLN A 28 5.184 -13.459 7.270 1.00 74.12 O ATOM 418 NE2 GLN A 28 3.388 -12.190 7.724 1.00 62.15 N ATOM 0 H GLN A 28 6.240 -11.196 5.979 1.00 12.05 H new ATOM 0 HA GLN A 28 5.089 -11.040 3.255 1.00 2.35 H new ATOM 0 HB2 GLN A 28 3.499 -10.641 5.777 1.00 51.40 H new ATOM 0 HB3 GLN A 28 2.962 -11.200 4.206 1.00 51.40 H new ATOM 0 HG2 GLN A 28 2.926 -13.226 5.221 1.00 62.05 H new ATOM 0 HG3 GLN A 28 4.635 -13.235 4.833 1.00 62.05 H new ATOM 0 HE21 GLN A 28 2.587 -11.672 7.362 1.00 62.15 H new ATOM 0 HE22 GLN A 28 3.562 -12.224 8.729 1.00 62.15 H new ATOM 427 N TYR A 29 4.082 -8.587 3.806 1.00 44.53 N ATOM 428 CA TYR A 29 3.997 -7.131 3.810 1.00 43.13 C ATOM 429 C TYR A 29 3.171 -6.636 4.995 1.00 74.30 C ATOM 430 O TYR A 29 2.262 -7.322 5.463 1.00 51.24 O ATOM 431 CB TYR A 29 3.380 -6.631 2.502 1.00 60.21 C ATOM 432 CG TYR A 29 4.392 -6.420 1.399 1.00 61.21 C ATOM 433 CD1 TYR A 29 5.200 -5.290 1.378 1.00 11.21 C ATOM 434 CD2 TYR A 29 4.538 -7.349 0.376 1.00 54.41 C ATOM 435 CE1 TYR A 29 6.125 -5.092 0.371 1.00 70.52 C ATOM 436 CE2 TYR A 29 5.461 -7.160 -0.634 1.00 61.44 C ATOM 437 CZ TYR A 29 6.253 -6.030 -0.632 1.00 64.02 C ATOM 438 OH TYR A 29 7.173 -5.837 -1.637 1.00 22.23 O ATOM 0 H TYR A 29 3.311 -9.053 3.328 1.00 44.53 H new ATOM 0 HA TYR A 29 5.008 -6.735 3.903 1.00 43.13 H new ATOM 0 HB2 TYR A 29 2.632 -7.348 2.165 1.00 60.21 H new ATOM 0 HB3 TYR A 29 2.859 -5.692 2.691 1.00 60.21 H new ATOM 0 HD1 TYR A 29 5.103 -4.554 2.162 1.00 11.21 H new ATOM 0 HD2 TYR A 29 3.919 -8.234 0.371 1.00 54.41 H new ATOM 0 HE1 TYR A 29 6.745 -4.207 0.369 1.00 70.52 H new ATOM 0 HE2 TYR A 29 5.562 -7.893 -1.421 1.00 61.44 H new ATOM 0 HH TYR A 29 7.375 -6.695 -2.065 1.00 22.23 H new ATOM 448 N LYS A 30 3.497 -5.441 5.476 1.00 64.12 N ATOM 449 CA LYS A 30 2.787 -4.852 6.604 1.00 41.55 C ATOM 450 C LYS A 30 2.732 -3.332 6.479 1.00 73.44 C ATOM 451 O LYS A 30 3.414 -2.743 5.639 1.00 62.50 O ATOM 452 CB LYS A 30 3.466 -5.241 7.920 1.00 62.12 C ATOM 453 CG LYS A 30 2.782 -6.390 8.640 1.00 60.03 C ATOM 454 CD LYS A 30 3.461 -6.701 9.964 1.00 25.50 C ATOM 455 CE LYS A 30 2.591 -7.590 10.841 1.00 11.53 C ATOM 456 NZ LYS A 30 2.833 -9.035 10.579 1.00 4.35 N ATOM 0 H LYS A 30 4.249 -4.862 5.102 1.00 64.12 H new ATOM 0 HA LYS A 30 1.767 -5.237 6.600 1.00 41.55 H new ATOM 0 HB2 LYS A 30 4.502 -5.515 7.718 1.00 62.12 H new ATOM 0 HB3 LYS A 30 3.488 -4.373 8.578 1.00 62.12 H new ATOM 0 HG2 LYS A 30 1.736 -6.139 8.816 1.00 60.03 H new ATOM 0 HG3 LYS A 30 2.795 -7.277 8.006 1.00 60.03 H new ATOM 0 HD2 LYS A 30 4.415 -7.194 9.778 1.00 25.50 H new ATOM 0 HD3 LYS A 30 3.679 -5.771 10.490 1.00 25.50 H new ATOM 0 HE2 LYS A 30 2.791 -7.373 11.890 1.00 11.53 H new ATOM 0 HE3 LYS A 30 1.541 -7.360 10.663 1.00 11.53 H new ATOM 0 HZ1 LYS A 30 2.222 -9.607 11.196 1.00 4.35 H new ATOM 0 HZ2 LYS A 30 2.618 -9.248 9.584 1.00 4.35 H new ATOM 0 HZ3 LYS A 30 3.829 -9.261 10.774 1.00 4.35 H new ATOM 470 N LEU A 31 1.919 -2.703 7.320 1.00 70.40 N ATOM 471 CA LEU A 31 1.776 -1.251 7.304 1.00 50.14 C ATOM 472 C LEU A 31 3.134 -0.572 7.158 1.00 31.11 C ATOM 473 O LEU A 31 3.285 0.381 6.393 1.00 31.42 O ATOM 474 CB LEU A 31 1.089 -0.773 8.584 1.00 50.44 C ATOM 475 CG LEU A 31 0.092 0.375 8.422 1.00 25.43 C ATOM 476 CD1 LEU A 31 -1.317 -0.166 8.234 1.00 43.12 C ATOM 477 CD2 LEU A 31 0.151 1.307 9.622 1.00 53.34 C ATOM 0 H LEU A 31 1.349 -3.175 8.022 1.00 70.40 H new ATOM 0 HA LEU A 31 1.161 -0.980 6.446 1.00 50.14 H new ATOM 0 HB2 LEU A 31 0.568 -1.620 9.031 1.00 50.44 H new ATOM 0 HB3 LEU A 31 1.858 -0.463 9.291 1.00 50.44 H new ATOM 0 HG LEU A 31 0.364 0.944 7.533 1.00 25.43 H new ATOM 0 HD11 LEU A 31 -2.014 0.665 8.120 1.00 43.12 H new ATOM 0 HD12 LEU A 31 -1.350 -0.792 7.342 1.00 43.12 H new ATOM 0 HD13 LEU A 31 -1.598 -0.759 9.104 1.00 43.12 H new ATOM 0 HD21 LEU A 31 -0.565 2.118 9.489 1.00 53.34 H new ATOM 0 HD22 LEU A 31 -0.094 0.751 10.527 1.00 53.34 H new ATOM 0 HD23 LEU A 31 1.155 1.721 9.712 1.00 53.34 H new ATOM 489 N LYS A 32 4.122 -1.070 7.894 1.00 45.21 N ATOM 490 CA LYS A 32 5.469 -0.516 7.845 1.00 53.55 C ATOM 491 C LYS A 32 5.839 -0.110 6.422 1.00 4.25 C ATOM 492 O LYS A 32 6.376 0.975 6.194 1.00 64.52 O ATOM 493 CB LYS A 32 6.482 -1.532 8.376 1.00 22.13 C ATOM 494 CG LYS A 32 7.478 -0.942 9.359 1.00 73.42 C ATOM 495 CD LYS A 32 8.474 -0.029 8.663 1.00 24.03 C ATOM 496 CE LYS A 32 8.247 1.428 9.035 1.00 1.22 C ATOM 497 NZ LYS A 32 9.012 1.815 10.253 1.00 13.25 N ATOM 0 H LYS A 32 4.014 -1.858 8.533 1.00 45.21 H new ATOM 0 HA LYS A 32 5.491 0.373 8.476 1.00 53.55 H new ATOM 0 HB2 LYS A 32 5.946 -2.348 8.861 1.00 22.13 H new ATOM 0 HB3 LYS A 32 7.026 -1.963 7.536 1.00 22.13 H new ATOM 0 HG2 LYS A 32 6.945 -0.382 10.127 1.00 73.42 H new ATOM 0 HG3 LYS A 32 8.012 -1.747 9.864 1.00 73.42 H new ATOM 0 HD2 LYS A 32 9.488 -0.321 8.934 1.00 24.03 H new ATOM 0 HD3 LYS A 32 8.386 -0.148 7.583 1.00 24.03 H new ATOM 0 HE2 LYS A 32 8.543 2.066 8.202 1.00 1.22 H new ATOM 0 HE3 LYS A 32 7.184 1.598 9.205 1.00 1.22 H new ATOM 0 HZ1 LYS A 32 8.831 2.815 10.474 1.00 13.25 H new ATOM 0 HZ2 LYS A 32 8.712 1.224 11.054 1.00 13.25 H new ATOM 0 HZ3 LYS A 32 10.029 1.677 10.083 1.00 13.25 H new ATOM 511 N HIS A 33 5.546 -0.987 5.467 1.00 15.14 N ATOM 512 CA HIS A 33 5.846 -0.719 4.064 1.00 70.02 C ATOM 513 C HIS A 33 4.893 0.331 3.496 1.00 75.54 C ATOM 514 O HIS A 33 5.375 1.191 2.760 1.00 21.32 O ATOM 515 CB HIS A 33 5.751 -2.006 3.244 1.00 61.25 C ATOM 516 CG HIS A 33 6.538 -3.142 3.822 1.00 32.33 C ATOM 517 ND1 HIS A 33 5.952 -4.245 4.406 1.00 4.03 N ATOM 518 CD2 HIS A 33 7.875 -3.343 3.901 1.00 5.12 C ATOM 519 CE1 HIS A 33 6.893 -5.074 4.820 1.00 43.45 C ATOM 520 NE2 HIS A 33 8.069 -4.551 4.525 1.00 12.34 N ATOM 0 H HIS A 33 5.101 -1.889 5.638 1.00 15.14 H new ATOM 0 HA HIS A 33 6.864 -0.333 4.003 1.00 70.02 H new ATOM 0 HB2 HIS A 33 4.705 -2.302 3.166 1.00 61.25 H new ATOM 0 HB3 HIS A 33 6.103 -1.809 2.231 1.00 61.25 H new ATOM 0 HD2 HIS A 33 8.645 -2.677 3.540 1.00 5.12 H new ATOM 0 HE1 HIS A 33 6.729 -6.019 5.316 1.00 43.45 H new ATOM 0 HE2 HIS A 33 8.974 -4.975 4.728 1.00 12.34 H new ATOM 528 N ILE A 34 3.603 0.283 3.809 1.00 32.22 N ATOM 529 CA ILE A 34 2.656 1.264 3.292 1.00 31.03 C ATOM 530 C ILE A 34 3.052 2.679 3.700 1.00 71.23 C ATOM 531 O ILE A 34 2.791 3.641 2.978 1.00 71.11 O ATOM 532 CB ILE A 34 1.226 0.980 3.785 1.00 42.45 C ATOM 533 CG1 ILE A 34 0.828 -0.462 3.464 1.00 72.41 C ATOM 534 CG2 ILE A 34 0.245 1.958 3.156 1.00 64.00 C ATOM 535 CD1 ILE A 34 -0.537 -0.844 3.990 1.00 22.31 C ATOM 0 H ILE A 34 3.189 -0.424 4.417 1.00 32.22 H new ATOM 0 HA ILE A 34 2.679 1.183 2.205 1.00 31.03 H new ATOM 0 HB ILE A 34 1.198 1.112 4.867 1.00 42.45 H new ATOM 0 HG12 ILE A 34 0.844 -0.603 2.383 1.00 72.41 H new ATOM 0 HG13 ILE A 34 1.573 -1.138 3.885 1.00 72.41 H new ATOM 0 HG21 ILE A 34 -0.762 1.744 3.514 1.00 64.00 H new ATOM 0 HG22 ILE A 34 0.520 2.976 3.431 1.00 64.00 H new ATOM 0 HG23 ILE A 34 0.274 1.855 2.071 1.00 64.00 H new ATOM 0 HD11 ILE A 34 -0.752 -1.879 3.725 1.00 22.31 H new ATOM 0 HD12 ILE A 34 -0.552 -0.736 5.075 1.00 22.31 H new ATOM 0 HD13 ILE A 34 -1.292 -0.193 3.550 1.00 22.31 H new ATOM 547 N VAL A 35 3.685 2.797 4.863 1.00 55.14 N ATOM 548 CA VAL A 35 4.121 4.094 5.368 1.00 4.23 C ATOM 549 C VAL A 35 5.470 4.489 4.778 1.00 31.40 C ATOM 550 O VAL A 35 5.657 5.621 4.333 1.00 21.31 O ATOM 551 CB VAL A 35 4.225 4.092 6.905 1.00 31.23 C ATOM 552 CG1 VAL A 35 4.726 5.437 7.408 1.00 1.33 C ATOM 553 CG2 VAL A 35 2.882 3.745 7.529 1.00 51.43 C ATOM 0 H VAL A 35 3.907 2.010 5.473 1.00 55.14 H new ATOM 0 HA VAL A 35 3.368 4.821 5.063 1.00 4.23 H new ATOM 0 HB VAL A 35 4.945 3.330 7.203 1.00 31.23 H new ATOM 0 HG11 VAL A 35 4.793 5.417 8.496 1.00 1.33 H new ATOM 0 HG12 VAL A 35 5.711 5.639 6.987 1.00 1.33 H new ATOM 0 HG13 VAL A 35 4.033 6.221 7.102 1.00 1.33 H new ATOM 0 HG21 VAL A 35 2.974 3.748 8.615 1.00 51.43 H new ATOM 0 HG22 VAL A 35 2.138 4.482 7.226 1.00 51.43 H new ATOM 0 HG23 VAL A 35 2.570 2.756 7.194 1.00 51.43 H new ATOM 563 N TRP A 36 6.407 3.548 4.777 1.00 72.34 N ATOM 564 CA TRP A 36 7.740 3.797 4.241 1.00 60.43 C ATOM 565 C TRP A 36 7.663 4.303 2.805 1.00 31.01 C ATOM 566 O TRP A 36 8.555 5.010 2.338 1.00 33.00 O ATOM 567 CB TRP A 36 8.583 2.521 4.302 1.00 11.54 C ATOM 568 CG TRP A 36 9.914 2.657 3.625 1.00 10.43 C ATOM 569 CD1 TRP A 36 11.121 2.870 4.226 1.00 52.55 C ATOM 570 CD2 TRP A 36 10.170 2.590 2.218 1.00 2.34 C ATOM 571 NE1 TRP A 36 12.113 2.939 3.278 1.00 12.52 N ATOM 572 CE2 TRP A 36 11.556 2.770 2.038 1.00 3.43 C ATOM 573 CE3 TRP A 36 9.365 2.394 1.093 1.00 24.52 C ATOM 574 CZ2 TRP A 36 12.150 2.761 0.779 1.00 63.22 C ATOM 575 CZ3 TRP A 36 9.956 2.384 -0.156 1.00 53.40 C ATOM 576 CH2 TRP A 36 11.338 2.566 -0.305 1.00 62.01 C ATOM 0 H TRP A 36 6.268 2.605 5.141 1.00 72.34 H new ATOM 0 HA TRP A 36 8.213 4.566 4.852 1.00 60.43 H new ATOM 0 HB2 TRP A 36 8.740 2.247 5.345 1.00 11.54 H new ATOM 0 HB3 TRP A 36 8.029 1.705 3.838 1.00 11.54 H new ATOM 0 HD1 TRP A 36 11.274 2.970 5.290 1.00 52.55 H new ATOM 0 HE1 TRP A 36 13.104 3.091 3.467 1.00 12.52 H new ATOM 0 HE3 TRP A 36 8.299 2.253 1.198 1.00 24.52 H new ATOM 0 HZ2 TRP A 36 13.214 2.903 0.662 1.00 63.22 H new ATOM 0 HZ3 TRP A 36 9.343 2.233 -1.032 1.00 53.40 H new ATOM 0 HH2 TRP A 36 11.770 2.552 -1.295 1.00 62.01 H new ATOM 587 N ALA A 37 6.591 3.936 2.110 1.00 35.14 N ATOM 588 CA ALA A 37 6.398 4.355 0.727 1.00 40.10 C ATOM 589 C ALA A 37 5.552 5.621 0.650 1.00 10.51 C ATOM 590 O ALA A 37 5.930 6.594 -0.003 1.00 32.13 O ATOM 591 CB ALA A 37 5.754 3.237 -0.079 1.00 63.42 C ATOM 0 H ALA A 37 5.844 3.350 2.482 1.00 35.14 H new ATOM 0 HA ALA A 37 7.376 4.577 0.301 1.00 40.10 H new ATOM 0 HB1 ALA A 37 5.616 3.564 -1.110 1.00 63.42 H new ATOM 0 HB2 ALA A 37 6.398 2.358 -0.061 1.00 63.42 H new ATOM 0 HB3 ALA A 37 4.786 2.987 0.355 1.00 63.42 H new ATOM 597 N SER A 38 4.405 5.602 1.321 1.00 65.14 N ATOM 598 CA SER A 38 3.501 6.747 1.325 1.00 74.34 C ATOM 599 C SER A 38 4.236 8.016 1.747 1.00 2.40 C ATOM 600 O SER A 38 3.866 9.121 1.350 1.00 14.42 O ATOM 601 CB SER A 38 2.322 6.490 2.265 1.00 41.22 C ATOM 602 OG SER A 38 1.435 5.530 1.718 1.00 64.04 O ATOM 0 H SER A 38 4.079 4.806 1.869 1.00 65.14 H new ATOM 0 HA SER A 38 3.124 6.885 0.312 1.00 74.34 H new ATOM 0 HB2 SER A 38 2.691 6.141 3.230 1.00 41.22 H new ATOM 0 HB3 SER A 38 1.787 7.422 2.446 1.00 41.22 H new ATOM 0 HG SER A 38 1.633 4.648 2.097 1.00 64.04 H new ATOM 608 N ARG A 39 5.278 7.848 2.554 1.00 72.14 N ATOM 609 CA ARG A 39 6.065 8.979 3.032 1.00 30.02 C ATOM 610 C ARG A 39 7.195 9.305 2.059 1.00 75.05 C ATOM 611 O ARG A 39 7.712 10.421 2.045 1.00 51.43 O ATOM 612 CB ARG A 39 6.640 8.680 4.417 1.00 21.33 C ATOM 613 CG ARG A 39 5.625 8.816 5.540 1.00 53.42 C ATOM 614 CD ARG A 39 5.676 10.200 6.172 1.00 22.53 C ATOM 615 NE ARG A 39 6.818 10.350 7.069 1.00 61.51 N ATOM 616 CZ ARG A 39 7.264 11.523 7.502 1.00 4.42 C ATOM 617 NH1 ARG A 39 6.665 12.644 7.122 1.00 74.03 N ATOM 618 NH2 ARG A 39 8.309 11.578 8.318 1.00 65.04 N ATOM 0 H ARG A 39 5.597 6.940 2.891 1.00 72.14 H new ATOM 0 HA ARG A 39 5.406 9.845 3.100 1.00 30.02 H new ATOM 0 HB2 ARG A 39 7.042 7.667 4.423 1.00 21.33 H new ATOM 0 HB3 ARG A 39 7.474 9.355 4.608 1.00 21.33 H new ATOM 0 HG2 ARG A 39 4.624 8.629 5.152 1.00 53.42 H new ATOM 0 HG3 ARG A 39 5.819 8.060 6.301 1.00 53.42 H new ATOM 0 HD2 ARG A 39 5.730 10.955 5.388 1.00 22.53 H new ATOM 0 HD3 ARG A 39 4.754 10.380 6.725 1.00 22.53 H new ATOM 0 HE ARG A 39 7.300 9.507 7.380 1.00 61.51 H new ATOM 0 HH11 ARG A 39 5.860 12.605 6.496 1.00 74.03 H new ATOM 0 HH12 ARG A 39 7.009 13.544 7.456 1.00 74.03 H new ATOM 0 HH21 ARG A 39 8.771 10.718 8.614 1.00 65.04 H new ATOM 0 HH22 ARG A 39 8.650 12.480 8.650 1.00 65.04 H new ATOM 632 N GLU A 40 7.573 8.321 1.250 1.00 32.24 N ATOM 633 CA GLU A 40 8.644 8.504 0.275 1.00 21.51 C ATOM 634 C GLU A 40 8.128 9.216 -0.972 1.00 61.40 C ATOM 635 O GLU A 40 8.749 10.161 -1.461 1.00 25.12 O ATOM 636 CB GLU A 40 9.249 7.152 -0.110 1.00 43.00 C ATOM 637 CG GLU A 40 10.574 7.265 -0.843 1.00 33.15 C ATOM 638 CD GLU A 40 11.712 7.685 0.067 1.00 40.15 C ATOM 639 OE1 GLU A 40 11.747 7.218 1.226 1.00 5.05 O ATOM 640 OE2 GLU A 40 12.565 8.481 -0.375 1.00 21.13 O ATOM 0 H GLU A 40 7.155 7.390 1.249 1.00 32.24 H new ATOM 0 HA GLU A 40 9.416 9.123 0.733 1.00 21.51 H new ATOM 0 HB2 GLU A 40 9.392 6.557 0.792 1.00 43.00 H new ATOM 0 HB3 GLU A 40 8.541 6.612 -0.738 1.00 43.00 H new ATOM 0 HG2 GLU A 40 10.815 6.305 -1.300 1.00 33.15 H new ATOM 0 HG3 GLU A 40 10.476 7.988 -1.653 1.00 33.15 H new ATOM 647 N LEU A 41 6.991 8.756 -1.482 1.00 51.25 N ATOM 648 CA LEU A 41 6.392 9.348 -2.672 1.00 43.20 C ATOM 649 C LEU A 41 6.290 10.864 -2.534 1.00 4.34 C ATOM 650 O LEU A 41 6.679 11.606 -3.436 1.00 32.21 O ATOM 651 CB LEU A 41 5.004 8.753 -2.918 1.00 34.41 C ATOM 652 CG LEU A 41 4.970 7.289 -3.357 1.00 31.33 C ATOM 653 CD1 LEU A 41 3.535 6.795 -3.457 1.00 72.42 C ATOM 654 CD2 LEU A 41 5.690 7.114 -4.687 1.00 41.02 C ATOM 0 H LEU A 41 6.466 7.975 -1.090 1.00 51.25 H new ATOM 0 HA LEU A 41 7.034 9.121 -3.523 1.00 43.20 H new ATOM 0 HB2 LEU A 41 4.421 8.850 -2.002 1.00 34.41 H new ATOM 0 HB3 LEU A 41 4.504 9.352 -3.679 1.00 34.41 H new ATOM 0 HG LEU A 41 5.487 6.692 -2.605 1.00 31.33 H new ATOM 0 HD11 LEU A 41 3.531 5.751 -3.771 1.00 72.42 H new ATOM 0 HD12 LEU A 41 3.051 6.884 -2.484 1.00 72.42 H new ATOM 0 HD13 LEU A 41 2.993 7.396 -4.188 1.00 72.42 H new ATOM 0 HD21 LEU A 41 5.656 6.066 -4.984 1.00 41.02 H new ATOM 0 HD22 LEU A 41 5.202 7.723 -5.448 1.00 41.02 H new ATOM 0 HD23 LEU A 41 6.729 7.428 -4.583 1.00 41.02 H new ATOM 666 N GLU A 42 5.766 11.316 -1.400 1.00 41.44 N ATOM 667 CA GLU A 42 5.615 12.744 -1.144 1.00 21.04 C ATOM 668 C GLU A 42 6.922 13.486 -1.411 1.00 64.52 C ATOM 669 O GLU A 42 6.917 14.652 -1.802 1.00 2.41 O ATOM 670 CB GLU A 42 5.166 12.981 0.299 1.00 54.31 C ATOM 671 CG GLU A 42 5.199 14.443 0.713 1.00 71.13 C ATOM 672 CD GLU A 42 4.256 14.745 1.862 1.00 50.14 C ATOM 673 OE1 GLU A 42 3.034 14.833 1.621 1.00 74.23 O ATOM 674 OE2 GLU A 42 4.741 14.892 3.004 1.00 14.32 O ATOM 0 H GLU A 42 5.439 10.715 -0.644 1.00 41.44 H new ATOM 0 HA GLU A 42 4.854 13.130 -1.822 1.00 21.04 H new ATOM 0 HB2 GLU A 42 4.152 12.600 0.423 1.00 54.31 H new ATOM 0 HB3 GLU A 42 5.806 12.408 0.969 1.00 54.31 H new ATOM 0 HG2 GLU A 42 6.215 14.712 1.001 1.00 71.13 H new ATOM 0 HG3 GLU A 42 4.935 15.065 -0.142 1.00 71.13 H new ATOM 681 N ARG A 43 8.039 12.799 -1.196 1.00 72.12 N ATOM 682 CA ARG A 43 9.354 13.392 -1.411 1.00 53.33 C ATOM 683 C ARG A 43 9.738 13.342 -2.887 1.00 21.42 C ATOM 684 O ARG A 43 10.461 14.208 -3.381 1.00 70.05 O ATOM 685 CB ARG A 43 10.408 12.665 -0.574 1.00 74.34 C ATOM 686 CG ARG A 43 11.794 13.283 -0.669 1.00 63.24 C ATOM 687 CD ARG A 43 12.730 12.717 0.388 1.00 4.04 C ATOM 688 NE ARG A 43 14.084 13.246 0.258 1.00 52.53 N ATOM 689 CZ ARG A 43 15.061 12.985 1.120 1.00 25.12 C ATOM 690 NH1 ARG A 43 14.834 12.204 2.168 1.00 2.12 N ATOM 691 NH2 ARG A 43 16.268 13.503 0.935 1.00 2.02 N ATOM 0 H ARG A 43 8.060 11.832 -0.873 1.00 72.12 H new ATOM 0 HA ARG A 43 9.309 14.436 -1.100 1.00 53.33 H new ATOM 0 HB2 ARG A 43 10.092 12.661 0.469 1.00 74.34 H new ATOM 0 HB3 ARG A 43 10.461 11.625 -0.895 1.00 74.34 H new ATOM 0 HG2 ARG A 43 12.209 13.099 -1.660 1.00 63.24 H new ATOM 0 HG3 ARG A 43 11.721 14.364 -0.550 1.00 63.24 H new ATOM 0 HD2 ARG A 43 12.342 12.952 1.379 1.00 4.04 H new ATOM 0 HD3 ARG A 43 12.756 11.630 0.305 1.00 4.04 H new ATOM 0 HE ARG A 43 14.292 13.849 -0.538 1.00 52.53 H new ATOM 0 HH11 ARG A 43 13.908 11.802 2.314 1.00 2.12 H new ATOM 0 HH12 ARG A 43 15.586 12.005 2.828 1.00 2.12 H new ATOM 0 HH21 ARG A 43 16.448 14.103 0.130 1.00 2.02 H new ATOM 0 HH22 ARG A 43 17.017 13.301 1.598 1.00 2.02 H new ATOM 705 N PHE A 44 9.249 12.323 -3.586 1.00 12.44 N ATOM 706 CA PHE A 44 9.542 12.160 -5.005 1.00 23.44 C ATOM 707 C PHE A 44 8.528 12.913 -5.861 1.00 40.12 C ATOM 708 O PHE A 44 8.256 12.534 -6.999 1.00 34.31 O ATOM 709 CB PHE A 44 9.540 10.676 -5.380 1.00 41.25 C ATOM 710 CG PHE A 44 10.850 9.990 -5.120 1.00 53.22 C ATOM 711 CD1 PHE A 44 11.398 9.972 -3.847 1.00 5.10 C ATOM 712 CD2 PHE A 44 11.535 9.363 -6.148 1.00 71.43 C ATOM 713 CE1 PHE A 44 12.604 9.343 -3.605 1.00 30.40 C ATOM 714 CE2 PHE A 44 12.742 8.730 -5.912 1.00 1.32 C ATOM 715 CZ PHE A 44 13.276 8.720 -4.639 1.00 53.32 C ATOM 0 H PHE A 44 8.648 11.598 -3.193 1.00 12.44 H new ATOM 0 HA PHE A 44 10.531 12.576 -5.196 1.00 23.44 H new ATOM 0 HB2 PHE A 44 8.756 10.169 -4.818 1.00 41.25 H new ATOM 0 HB3 PHE A 44 9.291 10.577 -6.436 1.00 41.25 H new ATOM 0 HD1 PHE A 44 10.876 10.455 -3.035 1.00 5.10 H new ATOM 0 HD2 PHE A 44 11.122 9.369 -7.146 1.00 71.43 H new ATOM 0 HE1 PHE A 44 13.021 9.338 -2.609 1.00 30.40 H new ATOM 0 HE2 PHE A 44 13.266 8.244 -6.722 1.00 1.32 H new ATOM 0 HZ PHE A 44 14.218 8.226 -4.452 1.00 53.32 H new ATOM 725 N ALA A 45 7.971 13.983 -5.302 1.00 12.15 N ATOM 726 CA ALA A 45 6.988 14.791 -6.013 1.00 73.51 C ATOM 727 C ALA A 45 5.760 13.964 -6.380 1.00 53.20 C ATOM 728 O ALA A 45 4.975 14.353 -7.246 1.00 72.33 O ATOM 729 CB ALA A 45 7.609 15.401 -7.261 1.00 73.34 C ATOM 0 H ALA A 45 8.184 14.310 -4.360 1.00 12.15 H new ATOM 0 HA ALA A 45 6.667 15.595 -5.351 1.00 73.51 H new ATOM 0 HB1 ALA A 45 6.863 16.002 -7.782 1.00 73.34 H new ATOM 0 HB2 ALA A 45 8.450 16.033 -6.977 1.00 73.34 H new ATOM 0 HB3 ALA A 45 7.959 14.606 -7.919 1.00 73.34 H new ATOM 735 N VAL A 46 5.601 12.824 -5.718 1.00 60.12 N ATOM 736 CA VAL A 46 4.468 11.942 -5.975 1.00 72.22 C ATOM 737 C VAL A 46 3.486 11.954 -4.809 1.00 55.44 C ATOM 738 O VAL A 46 3.812 11.517 -3.706 1.00 71.24 O ATOM 739 CB VAL A 46 4.929 10.495 -6.229 1.00 53.03 C ATOM 740 CG1 VAL A 46 3.731 9.564 -6.337 1.00 53.02 C ATOM 741 CG2 VAL A 46 5.787 10.421 -7.483 1.00 40.03 C ATOM 0 H VAL A 46 6.242 12.488 -4.999 1.00 60.12 H new ATOM 0 HA VAL A 46 3.971 12.319 -6.869 1.00 72.22 H new ATOM 0 HB VAL A 46 5.535 10.172 -5.383 1.00 53.03 H new ATOM 0 HG11 VAL A 46 4.076 8.546 -6.517 1.00 53.02 H new ATOM 0 HG12 VAL A 46 3.161 9.595 -5.408 1.00 53.02 H new ATOM 0 HG13 VAL A 46 3.096 9.883 -7.164 1.00 53.02 H new ATOM 0 HG21 VAL A 46 6.104 9.391 -7.647 1.00 40.03 H new ATOM 0 HG22 VAL A 46 5.208 10.763 -8.341 1.00 40.03 H new ATOM 0 HG23 VAL A 46 6.665 11.056 -7.361 1.00 40.03 H new ATOM 751 N ASN A 47 2.283 12.458 -5.060 1.00 1.54 N ATOM 752 CA ASN A 47 1.252 12.528 -4.029 1.00 33.04 C ATOM 753 C ASN A 47 0.924 11.138 -3.494 1.00 32.15 C ATOM 754 O ASN A 47 0.761 10.178 -4.248 1.00 31.51 O ATOM 755 CB ASN A 47 -0.012 13.184 -4.588 1.00 51.52 C ATOM 756 CG ASN A 47 -0.051 14.678 -4.327 1.00 24.23 C ATOM 757 OD1 ASN A 47 0.950 15.375 -4.493 1.00 73.41 O ATOM 758 ND2 ASN A 47 -1.212 15.176 -3.918 1.00 0.11 N ATOM 0 H ASN A 47 1.997 12.824 -5.968 1.00 1.54 H new ATOM 0 HA ASN A 47 1.634 13.133 -3.207 1.00 33.04 H new ATOM 0 HB2 ASN A 47 -0.067 13.004 -5.662 1.00 51.52 H new ATOM 0 HB3 ASN A 47 -0.889 12.717 -4.141 1.00 51.52 H new ATOM 0 HD21 ASN A 47 -1.300 16.174 -3.728 1.00 0.11 H new ATOM 0 HD22 ASN A 47 -2.016 14.560 -3.794 1.00 0.11 H new ATOM 765 N PRO A 48 0.823 11.025 -2.162 1.00 21.44 N ATOM 766 CA PRO A 48 0.511 9.757 -1.495 1.00 34.53 C ATOM 767 C PRO A 48 -0.926 9.311 -1.740 1.00 2.23 C ATOM 768 O PRO A 48 -1.335 8.234 -1.309 1.00 54.24 O ATOM 769 CB PRO A 48 0.730 10.072 -0.014 1.00 4.51 C ATOM 770 CG PRO A 48 0.521 11.543 0.096 1.00 25.33 C ATOM 771 CD PRO A 48 1.004 12.128 -1.203 1.00 75.24 C ATOM 0 HA PRO A 48 1.128 8.939 -1.866 1.00 34.53 H new ATOM 0 HB2 PRO A 48 0.028 9.524 0.615 1.00 4.51 H new ATOM 0 HB3 PRO A 48 1.733 9.790 0.307 1.00 4.51 H new ATOM 0 HG2 PRO A 48 -0.531 11.776 0.262 1.00 25.33 H new ATOM 0 HG3 PRO A 48 1.076 11.954 0.939 1.00 25.33 H new ATOM 0 HD2 PRO A 48 0.426 13.007 -1.488 1.00 75.24 H new ATOM 0 HD3 PRO A 48 2.047 12.439 -1.141 1.00 75.24 H new ATOM 779 N GLY A 49 -1.689 10.147 -2.437 1.00 42.00 N ATOM 780 CA GLY A 49 -3.074 9.821 -2.728 1.00 52.35 C ATOM 781 C GLY A 49 -3.218 8.950 -3.959 1.00 33.12 C ATOM 782 O GLY A 49 -4.331 8.607 -4.360 1.00 72.51 O ATOM 0 H GLY A 49 -1.373 11.044 -2.806 1.00 42.00 H new ATOM 0 HA2 GLY A 49 -3.511 9.309 -1.871 1.00 52.35 H new ATOM 0 HA3 GLY A 49 -3.639 10.742 -2.871 1.00 52.35 H new ATOM 786 N LEU A 50 -2.091 8.591 -4.564 1.00 53.54 N ATOM 787 CA LEU A 50 -2.096 7.756 -5.760 1.00 75.14 C ATOM 788 C LEU A 50 -2.181 6.278 -5.391 1.00 0.12 C ATOM 789 O LEU A 50 -2.516 5.437 -6.226 1.00 3.32 O ATOM 790 CB LEU A 50 -0.838 8.014 -6.592 1.00 75.23 C ATOM 791 CG LEU A 50 -0.672 9.433 -7.135 1.00 14.02 C ATOM 792 CD1 LEU A 50 0.703 9.608 -7.762 1.00 63.42 C ATOM 793 CD2 LEU A 50 -1.765 9.749 -8.145 1.00 71.31 C ATOM 0 H LEU A 50 -1.162 8.865 -4.246 1.00 53.54 H new ATOM 0 HA LEU A 50 -2.974 8.016 -6.351 1.00 75.14 H new ATOM 0 HB2 LEU A 50 0.033 7.776 -5.981 1.00 75.23 H new ATOM 0 HB3 LEU A 50 -0.835 7.322 -7.434 1.00 75.23 H new ATOM 0 HG LEU A 50 -0.761 10.132 -6.303 1.00 14.02 H new ATOM 0 HD11 LEU A 50 0.802 10.624 -8.143 1.00 63.42 H new ATOM 0 HD12 LEU A 50 1.471 9.425 -7.011 1.00 63.42 H new ATOM 0 HD13 LEU A 50 0.822 8.900 -8.582 1.00 63.42 H new ATOM 0 HD21 LEU A 50 -1.631 10.763 -8.521 1.00 71.31 H new ATOM 0 HD22 LEU A 50 -1.709 9.044 -8.975 1.00 71.31 H new ATOM 0 HD23 LEU A 50 -2.740 9.666 -7.664 1.00 71.31 H new ATOM 805 N LEU A 51 -1.878 5.969 -4.135 1.00 33.45 N ATOM 806 CA LEU A 51 -1.923 4.592 -3.654 1.00 74.11 C ATOM 807 C LEU A 51 -3.360 4.155 -3.387 1.00 14.20 C ATOM 808 O LEU A 51 -3.627 2.975 -3.162 1.00 32.15 O ATOM 809 CB LEU A 51 -1.089 4.449 -2.379 1.00 21.14 C ATOM 810 CG LEU A 51 0.402 4.765 -2.513 1.00 3.32 C ATOM 811 CD1 LEU A 51 1.015 5.033 -1.147 1.00 31.40 C ATOM 812 CD2 LEU A 51 1.127 3.625 -3.212 1.00 62.11 C ATOM 0 H LEU A 51 -1.599 6.653 -3.431 1.00 33.45 H new ATOM 0 HA LEU A 51 -1.505 3.949 -4.428 1.00 74.11 H new ATOM 0 HB2 LEU A 51 -1.512 5.104 -1.617 1.00 21.14 H new ATOM 0 HB3 LEU A 51 -1.192 3.427 -2.014 1.00 21.14 H new ATOM 0 HG LEU A 51 0.511 5.664 -3.120 1.00 3.32 H new ATOM 0 HD11 LEU A 51 2.076 5.256 -1.262 1.00 31.40 H new ATOM 0 HD12 LEU A 51 0.514 5.883 -0.684 1.00 31.40 H new ATOM 0 HD13 LEU A 51 0.895 4.153 -0.515 1.00 31.40 H new ATOM 0 HD21 LEU A 51 2.186 3.867 -3.299 1.00 62.11 H new ATOM 0 HD22 LEU A 51 1.010 2.709 -2.632 1.00 62.11 H new ATOM 0 HD23 LEU A 51 0.705 3.481 -4.207 1.00 62.11 H new ATOM 824 N GLU A 52 -4.279 5.114 -3.416 1.00 31.45 N ATOM 825 CA GLU A 52 -5.689 4.826 -3.179 1.00 11.41 C ATOM 826 C GLU A 52 -6.452 4.721 -4.497 1.00 62.50 C ATOM 827 O GLU A 52 -7.533 5.291 -4.649 1.00 21.15 O ATOM 828 CB GLU A 52 -6.313 5.914 -2.302 1.00 64.22 C ATOM 829 CG GLU A 52 -6.379 7.275 -2.973 1.00 55.51 C ATOM 830 CD GLU A 52 -7.707 7.972 -2.750 1.00 52.41 C ATOM 831 OE1 GLU A 52 -7.906 8.529 -1.650 1.00 2.54 O ATOM 832 OE2 GLU A 52 -8.545 7.960 -3.675 1.00 11.22 O ATOM 0 H GLU A 52 -4.074 6.096 -3.601 1.00 31.45 H new ATOM 0 HA GLU A 52 -5.757 3.868 -2.663 1.00 11.41 H new ATOM 0 HB2 GLU A 52 -7.321 5.608 -2.021 1.00 64.22 H new ATOM 0 HB3 GLU A 52 -5.737 6.000 -1.381 1.00 64.22 H new ATOM 0 HG2 GLU A 52 -5.575 7.904 -2.591 1.00 55.51 H new ATOM 0 HG3 GLU A 52 -6.210 7.157 -4.043 1.00 55.51 H new ATOM 839 N THR A 53 -5.881 3.988 -5.447 1.00 60.41 N ATOM 840 CA THR A 53 -6.504 3.808 -6.752 1.00 5.31 C ATOM 841 C THR A 53 -5.680 2.874 -7.632 1.00 4.51 C ATOM 842 O THR A 53 -4.519 3.151 -7.929 1.00 13.33 O ATOM 843 CB THR A 53 -6.685 5.154 -7.479 1.00 12.54 C ATOM 844 OG1 THR A 53 -6.632 4.957 -8.896 1.00 31.31 O ATOM 845 CG2 THR A 53 -5.608 6.144 -7.060 1.00 25.40 C ATOM 0 H THR A 53 -4.987 3.509 -5.337 1.00 60.41 H new ATOM 0 HA THR A 53 -7.484 3.365 -6.575 1.00 5.31 H new ATOM 0 HB THR A 53 -7.658 5.561 -7.205 1.00 12.54 H new ATOM 0 HG1 THR A 53 -6.749 5.817 -9.350 1.00 31.31 H new ATOM 0 HG21 THR A 53 -5.756 7.087 -7.586 1.00 25.40 H new ATOM 0 HG22 THR A 53 -5.669 6.315 -5.985 1.00 25.40 H new ATOM 0 HG23 THR A 53 -4.626 5.740 -7.308 1.00 25.40 H new ATOM 853 N SER A 54 -6.290 1.768 -8.046 1.00 74.33 N ATOM 854 CA SER A 54 -5.611 0.792 -8.889 1.00 34.25 C ATOM 855 C SER A 54 -4.959 1.471 -10.089 1.00 35.33 C ATOM 856 O SER A 54 -3.872 1.086 -10.520 1.00 4.31 O ATOM 857 CB SER A 54 -6.597 -0.275 -9.366 1.00 30.23 C ATOM 858 OG SER A 54 -7.841 -0.155 -8.699 1.00 73.44 O ATOM 0 H SER A 54 -7.253 1.526 -7.811 1.00 74.33 H new ATOM 0 HA SER A 54 -4.831 0.316 -8.295 1.00 34.25 H new ATOM 0 HB2 SER A 54 -6.747 -0.181 -10.442 1.00 30.23 H new ATOM 0 HB3 SER A 54 -6.179 -1.266 -9.188 1.00 30.23 H new ATOM 0 HG SER A 54 -8.454 -0.847 -9.023 1.00 73.44 H new ATOM 864 N GLU A 55 -5.632 2.485 -10.625 1.00 10.03 N ATOM 865 CA GLU A 55 -5.119 3.217 -11.777 1.00 5.12 C ATOM 866 C GLU A 55 -3.996 4.164 -11.363 1.00 3.12 C ATOM 867 O GLU A 55 -3.121 4.494 -12.163 1.00 61.43 O ATOM 868 CB GLU A 55 -6.245 4.007 -12.450 1.00 33.24 C ATOM 869 CG GLU A 55 -6.425 3.674 -13.922 1.00 52.15 C ATOM 870 CD GLU A 55 -5.148 3.851 -14.720 1.00 30.34 C ATOM 871 OE1 GLU A 55 -4.902 4.976 -15.203 1.00 74.53 O ATOM 872 OE2 GLU A 55 -4.396 2.864 -14.864 1.00 2.10 O ATOM 0 H GLU A 55 -6.532 2.818 -10.280 1.00 10.03 H new ATOM 0 HA GLU A 55 -4.718 2.493 -12.487 1.00 5.12 H new ATOM 0 HB2 GLU A 55 -7.180 3.811 -11.925 1.00 33.24 H new ATOM 0 HB3 GLU A 55 -6.040 5.073 -12.349 1.00 33.24 H new ATOM 0 HG2 GLU A 55 -6.770 2.644 -14.018 1.00 52.15 H new ATOM 0 HG3 GLU A 55 -7.203 4.311 -14.342 1.00 52.15 H new ATOM 879 N GLY A 56 -4.030 4.600 -10.107 1.00 14.14 N ATOM 880 CA GLY A 56 -3.010 5.505 -9.609 1.00 23.43 C ATOM 881 C GLY A 56 -1.619 4.911 -9.688 1.00 73.22 C ATOM 882 O GLY A 56 -0.689 5.554 -10.177 1.00 31.40 O ATOM 0 H GLY A 56 -4.745 4.343 -9.426 1.00 14.14 H new ATOM 0 HA2 GLY A 56 -3.039 6.431 -10.183 1.00 23.43 H new ATOM 0 HA3 GLY A 56 -3.233 5.764 -8.574 1.00 23.43 H new ATOM 886 N CYS A 57 -1.474 3.682 -9.203 1.00 32.03 N ATOM 887 CA CYS A 57 -0.184 3.002 -9.219 1.00 73.34 C ATOM 888 C CYS A 57 0.336 2.851 -10.645 1.00 4.24 C ATOM 889 O CYS A 57 1.498 3.140 -10.927 1.00 42.51 O ATOM 890 CB CYS A 57 -0.300 1.628 -8.558 1.00 70.35 C ATOM 891 SG CYS A 57 -0.859 1.680 -6.839 1.00 62.32 S ATOM 0 H CYS A 57 -2.233 3.137 -8.794 1.00 32.03 H new ATOM 0 HA CYS A 57 0.525 3.610 -8.657 1.00 73.34 H new ATOM 0 HB2 CYS A 57 -0.993 1.016 -9.136 1.00 70.35 H new ATOM 0 HB3 CYS A 57 0.671 1.134 -8.598 1.00 70.35 H new ATOM 0 HG CYS A 57 -0.928 0.470 -6.368 1.00 62.32 H new ATOM 897 N ARG A 58 -0.534 2.395 -11.540 1.00 3.15 N ATOM 898 CA ARG A 58 -0.163 2.203 -12.937 1.00 4.45 C ATOM 899 C ARG A 58 0.613 3.406 -13.464 1.00 52.14 C ATOM 900 O ARG A 58 1.530 3.260 -14.271 1.00 72.21 O ATOM 901 CB ARG A 58 -1.412 1.975 -13.792 1.00 41.11 C ATOM 902 CG ARG A 58 -1.399 0.658 -14.550 1.00 51.14 C ATOM 903 CD ARG A 58 -1.371 0.881 -16.053 1.00 23.51 C ATOM 904 NE ARG A 58 -1.831 -0.294 -16.790 1.00 43.15 N ATOM 905 CZ ARG A 58 -2.087 -0.292 -18.093 1.00 52.11 C ATOM 906 NH1 ARG A 58 -1.927 0.818 -18.800 1.00 25.43 N ATOM 907 NH2 ARG A 58 -2.502 -1.401 -18.691 1.00 4.21 N ATOM 0 H ARG A 58 -1.500 2.152 -11.323 1.00 3.15 H new ATOM 0 HA ARG A 58 0.478 1.323 -12.999 1.00 4.45 H new ATOM 0 HB2 ARG A 58 -2.292 2.006 -13.150 1.00 41.11 H new ATOM 0 HB3 ARG A 58 -1.508 2.794 -14.505 1.00 41.11 H new ATOM 0 HG2 ARG A 58 -0.529 0.074 -14.251 1.00 51.14 H new ATOM 0 HG3 ARG A 58 -2.281 0.075 -14.284 1.00 51.14 H new ATOM 0 HD2 ARG A 58 -1.999 1.735 -16.304 1.00 23.51 H new ATOM 0 HD3 ARG A 58 -0.356 1.129 -16.364 1.00 23.51 H new ATOM 0 HE ARG A 58 -1.963 -1.164 -16.275 1.00 43.15 H new ATOM 0 HH11 ARG A 58 -1.607 1.672 -18.343 1.00 25.43 H new ATOM 0 HH12 ARG A 58 -2.124 0.818 -19.801 1.00 25.43 H new ATOM 0 HH21 ARG A 58 -2.625 -2.257 -18.150 1.00 4.21 H new ATOM 0 HH22 ARG A 58 -2.698 -1.398 -19.692 1.00 4.21 H new ATOM 921 N GLN A 59 0.239 4.595 -13.001 1.00 50.24 N ATOM 922 CA GLN A 59 0.900 5.822 -13.426 1.00 52.41 C ATOM 923 C GLN A 59 2.219 6.015 -12.685 1.00 12.42 C ATOM 924 O GLN A 59 3.219 6.426 -13.275 1.00 33.04 O ATOM 925 CB GLN A 59 -0.012 7.027 -13.188 1.00 21.14 C ATOM 926 CG GLN A 59 -0.249 7.865 -14.435 1.00 0.10 C ATOM 927 CD GLN A 59 0.878 8.843 -14.704 1.00 72.51 C ATOM 928 OE1 GLN A 59 2.024 8.443 -14.916 1.00 4.03 O ATOM 929 NE2 GLN A 59 0.559 10.131 -14.697 1.00 42.22 N ATOM 0 H GLN A 59 -0.518 4.734 -12.332 1.00 50.24 H new ATOM 0 HA GLN A 59 1.111 5.740 -14.492 1.00 52.41 H new ATOM 0 HB2 GLN A 59 -0.972 6.677 -12.808 1.00 21.14 H new ATOM 0 HB3 GLN A 59 0.427 7.657 -12.414 1.00 21.14 H new ATOM 0 HG2 GLN A 59 -0.365 7.205 -15.295 1.00 0.10 H new ATOM 0 HG3 GLN A 59 -1.184 8.415 -14.326 1.00 0.10 H new ATOM 0 HE21 GLN A 59 -0.403 10.417 -14.517 1.00 42.22 H new ATOM 0 HE22 GLN A 59 1.276 10.835 -14.872 1.00 42.22 H new ATOM 938 N ILE A 60 2.214 5.717 -11.390 1.00 11.42 N ATOM 939 CA ILE A 60 3.411 5.857 -10.569 1.00 1.11 C ATOM 940 C ILE A 60 4.530 4.952 -11.071 1.00 61.34 C ATOM 941 O ILE A 60 5.615 5.421 -11.416 1.00 21.14 O ATOM 942 CB ILE A 60 3.121 5.528 -9.093 1.00 14.22 C ATOM 943 CG1 ILE A 60 1.950 6.368 -8.581 1.00 63.12 C ATOM 944 CG2 ILE A 60 4.362 5.768 -8.245 1.00 2.14 C ATOM 945 CD1 ILE A 60 1.233 5.748 -7.402 1.00 52.34 C ATOM 0 H ILE A 60 1.395 5.377 -10.887 1.00 11.42 H new ATOM 0 HA ILE A 60 3.728 6.897 -10.645 1.00 1.11 H new ATOM 0 HB ILE A 60 2.849 4.475 -9.017 1.00 14.22 H new ATOM 0 HG12 ILE A 60 2.318 7.354 -8.295 1.00 63.12 H new ATOM 0 HG13 ILE A 60 1.237 6.516 -9.392 1.00 63.12 H new ATOM 0 HG21 ILE A 60 4.143 5.531 -7.204 1.00 2.14 H new ATOM 0 HG22 ILE A 60 5.173 5.131 -8.599 1.00 2.14 H new ATOM 0 HG23 ILE A 60 4.660 6.813 -8.324 1.00 2.14 H new ATOM 0 HD11 ILE A 60 0.414 6.397 -7.091 1.00 52.34 H new ATOM 0 HD12 ILE A 60 0.835 4.775 -7.689 1.00 52.34 H new ATOM 0 HD13 ILE A 60 1.932 5.625 -6.575 1.00 52.34 H new ATOM 957 N LEU A 61 4.259 3.652 -11.110 1.00 62.51 N ATOM 958 CA LEU A 61 5.243 2.679 -11.571 1.00 31.31 C ATOM 959 C LEU A 61 5.711 3.006 -12.986 1.00 54.30 C ATOM 960 O LEU A 61 6.855 2.739 -13.349 1.00 15.33 O ATOM 961 CB LEU A 61 4.653 1.268 -11.531 1.00 41.22 C ATOM 962 CG LEU A 61 4.348 0.707 -10.141 1.00 55.32 C ATOM 963 CD1 LEU A 61 3.048 -0.080 -10.156 1.00 62.03 C ATOM 964 CD2 LEU A 61 5.497 -0.165 -9.655 1.00 32.42 C ATOM 0 H LEU A 61 3.366 3.247 -10.828 1.00 62.51 H new ATOM 0 HA LEU A 61 6.103 2.726 -10.903 1.00 31.31 H new ATOM 0 HB2 LEU A 61 3.731 1.265 -12.113 1.00 41.22 H new ATOM 0 HB3 LEU A 61 5.347 0.591 -12.030 1.00 41.22 H new ATOM 0 HG LEU A 61 4.234 1.542 -9.450 1.00 55.32 H new ATOM 0 HD11 LEU A 61 2.848 -0.471 -9.158 1.00 62.03 H new ATOM 0 HD12 LEU A 61 2.230 0.574 -10.460 1.00 62.03 H new ATOM 0 HD13 LEU A 61 3.132 -0.908 -10.860 1.00 62.03 H new ATOM 0 HD21 LEU A 61 5.263 -0.556 -8.665 1.00 32.42 H new ATOM 0 HD22 LEU A 61 5.643 -0.994 -10.347 1.00 32.42 H new ATOM 0 HD23 LEU A 61 6.409 0.430 -9.604 1.00 32.42 H new ATOM 976 N GLY A 62 4.817 3.588 -13.780 1.00 71.13 N ATOM 977 CA GLY A 62 5.158 3.945 -15.145 1.00 63.42 C ATOM 978 C GLY A 62 6.283 4.957 -15.215 1.00 4.30 C ATOM 979 O GLY A 62 7.171 4.849 -16.060 1.00 74.11 O ATOM 0 H GLY A 62 3.863 3.819 -13.502 1.00 71.13 H new ATOM 0 HA2 GLY A 62 5.447 3.047 -15.691 1.00 63.42 H new ATOM 0 HA3 GLY A 62 4.277 4.351 -15.642 1.00 63.42 H new ATOM 983 N GLN A 63 6.243 5.946 -14.328 1.00 13.33 N ATOM 984 CA GLN A 63 7.267 6.984 -14.297 1.00 43.54 C ATOM 985 C GLN A 63 8.602 6.418 -13.824 1.00 3.13 C ATOM 986 O GLN A 63 9.662 6.803 -14.321 1.00 2.20 O ATOM 987 CB GLN A 63 6.832 8.130 -13.380 1.00 73.14 C ATOM 988 CG GLN A 63 7.930 9.148 -13.116 1.00 34.25 C ATOM 989 CD GLN A 63 8.382 9.157 -11.669 1.00 51.15 C ATOM 990 OE1 GLN A 63 7.579 8.973 -10.754 1.00 3.22 O ATOM 991 NE2 GLN A 63 9.675 9.372 -11.454 1.00 41.03 N ATOM 0 H GLN A 63 5.514 6.050 -13.622 1.00 13.33 H new ATOM 0 HA GLN A 63 7.394 7.365 -15.310 1.00 43.54 H new ATOM 0 HB2 GLN A 63 5.977 8.638 -13.827 1.00 73.14 H new ATOM 0 HB3 GLN A 63 6.496 7.716 -12.429 1.00 73.14 H new ATOM 0 HG2 GLN A 63 8.784 8.931 -13.758 1.00 34.25 H new ATOM 0 HG3 GLN A 63 7.572 10.141 -13.387 1.00 34.25 H new ATOM 0 HE21 GLN A 63 10.305 9.520 -12.242 1.00 41.03 H new ATOM 0 HE22 GLN A 63 10.038 9.389 -10.501 1.00 41.03 H new ATOM 1000 N LEU A 64 8.544 5.504 -12.862 1.00 3.14 N ATOM 1001 CA LEU A 64 9.750 4.884 -12.323 1.00 63.34 C ATOM 1002 C LEU A 64 10.284 3.816 -13.273 1.00 54.44 C ATOM 1003 O LEU A 64 11.476 3.508 -13.265 1.00 14.55 O ATOM 1004 CB LEU A 64 9.460 4.267 -10.954 1.00 74.31 C ATOM 1005 CG LEU A 64 8.979 5.232 -9.870 1.00 10.31 C ATOM 1006 CD1 LEU A 64 8.734 4.491 -8.565 1.00 33.20 C ATOM 1007 CD2 LEU A 64 9.987 6.354 -9.669 1.00 74.43 C ATOM 0 H LEU A 64 7.676 5.176 -12.439 1.00 3.14 H new ATOM 0 HA LEU A 64 10.510 5.658 -12.213 1.00 63.34 H new ATOM 0 HB2 LEU A 64 8.706 3.490 -11.081 1.00 74.31 H new ATOM 0 HB3 LEU A 64 10.367 3.777 -10.599 1.00 74.31 H new ATOM 0 HG LEU A 64 8.036 5.672 -10.195 1.00 10.31 H new ATOM 0 HD11 LEU A 64 8.392 5.194 -7.806 1.00 33.20 H new ATOM 0 HD12 LEU A 64 7.974 3.725 -8.719 1.00 33.20 H new ATOM 0 HD13 LEU A 64 9.660 4.021 -8.234 1.00 33.20 H new ATOM 0 HD21 LEU A 64 9.628 7.031 -8.894 1.00 74.43 H new ATOM 0 HD22 LEU A 64 10.946 5.932 -9.367 1.00 74.43 H new ATOM 0 HD23 LEU A 64 10.111 6.904 -10.602 1.00 74.43 H new ATOM 1019 N GLN A 65 9.397 3.258 -14.088 1.00 64.12 N ATOM 1020 CA GLN A 65 9.781 2.226 -15.043 1.00 14.24 C ATOM 1021 C GLN A 65 11.044 2.628 -15.799 1.00 23.10 C ATOM 1022 O GLN A 65 12.067 1.945 -15.753 1.00 2.22 O ATOM 1023 CB GLN A 65 8.643 1.967 -16.032 1.00 64.21 C ATOM 1024 CG GLN A 65 8.061 0.565 -15.936 1.00 53.34 C ATOM 1025 CD GLN A 65 6.819 0.389 -16.788 1.00 73.40 C ATOM 1026 OE1 GLN A 65 6.447 1.278 -17.554 1.00 43.31 O ATOM 1027 NE2 GLN A 65 6.171 -0.762 -16.658 1.00 75.42 N ATOM 0 H GLN A 65 8.407 3.503 -14.107 1.00 64.12 H new ATOM 0 HA GLN A 65 9.986 1.311 -14.488 1.00 14.24 H new ATOM 0 HB2 GLN A 65 7.849 2.694 -15.858 1.00 64.21 H new ATOM 0 HB3 GLN A 65 9.009 2.131 -17.046 1.00 64.21 H new ATOM 0 HG2 GLN A 65 8.815 -0.159 -16.245 1.00 53.34 H new ATOM 0 HG3 GLN A 65 7.817 0.347 -14.896 1.00 53.34 H new ATOM 0 HE21 GLN A 65 6.516 -1.471 -16.011 1.00 75.42 H new ATOM 0 HE22 GLN A 65 5.328 -0.938 -17.205 1.00 75.42 H new ATOM 1036 N PRO A 66 10.972 3.761 -16.513 1.00 11.23 N ATOM 1037 CA PRO A 66 12.101 4.278 -17.292 1.00 24.04 C ATOM 1038 C PRO A 66 13.229 4.792 -16.406 1.00 75.14 C ATOM 1039 O PRO A 66 14.300 5.153 -16.894 1.00 15.25 O ATOM 1040 CB PRO A 66 11.483 5.429 -18.091 1.00 30.42 C ATOM 1041 CG PRO A 66 10.311 5.864 -17.282 1.00 4.54 C ATOM 1042 CD PRO A 66 9.784 4.625 -16.614 1.00 51.30 C ATOM 0 HA PRO A 66 12.556 3.506 -17.912 1.00 24.04 H new ATOM 0 HB2 PRO A 66 12.195 6.243 -18.227 1.00 30.42 H new ATOM 0 HB3 PRO A 66 11.179 5.102 -19.085 1.00 30.42 H new ATOM 0 HG2 PRO A 66 10.603 6.611 -16.544 1.00 4.54 H new ATOM 0 HG3 PRO A 66 9.549 6.321 -17.914 1.00 4.54 H new ATOM 0 HD2 PRO A 66 9.363 4.845 -15.633 1.00 51.30 H new ATOM 0 HD3 PRO A 66 8.995 4.156 -17.202 1.00 51.30 H new ATOM 1050 N SER A 67 12.984 4.823 -15.099 1.00 33.44 N ATOM 1051 CA SER A 67 13.980 5.295 -14.145 1.00 1.20 C ATOM 1052 C SER A 67 14.644 4.124 -13.427 1.00 13.11 C ATOM 1053 O SER A 67 15.633 4.298 -12.715 1.00 74.04 O ATOM 1054 CB SER A 67 13.333 6.233 -13.123 1.00 31.02 C ATOM 1055 OG SER A 67 14.284 7.132 -12.582 1.00 51.04 O ATOM 0 H SER A 67 12.104 4.527 -14.677 1.00 33.44 H new ATOM 0 HA SER A 67 14.745 5.841 -14.697 1.00 1.20 H new ATOM 0 HB2 SER A 67 12.528 6.793 -13.598 1.00 31.02 H new ATOM 0 HB3 SER A 67 12.884 5.648 -12.321 1.00 31.02 H new ATOM 0 HG SER A 67 13.821 7.904 -12.195 1.00 51.04 H new ATOM 1061 N LEU A 68 14.093 2.931 -13.621 1.00 2.11 N ATOM 1062 CA LEU A 68 14.631 1.729 -12.993 1.00 22.33 C ATOM 1063 C LEU A 68 16.047 1.445 -13.485 1.00 32.21 C ATOM 1064 O LEU A 68 16.806 0.725 -12.837 1.00 14.13 O ATOM 1065 CB LEU A 68 13.728 0.529 -13.284 1.00 1.31 C ATOM 1066 CG LEU A 68 12.448 0.436 -12.453 1.00 53.45 C ATOM 1067 CD1 LEU A 68 11.430 -0.462 -13.138 1.00 2.32 C ATOM 1068 CD2 LEU A 68 12.758 -0.077 -11.053 1.00 4.42 C ATOM 0 H LEU A 68 13.274 2.770 -14.208 1.00 2.11 H new ATOM 0 HA LEU A 68 14.666 1.896 -11.917 1.00 22.33 H new ATOM 0 HB2 LEU A 68 13.452 0.554 -14.338 1.00 1.31 H new ATOM 0 HB3 LEU A 68 14.306 -0.382 -13.128 1.00 1.31 H new ATOM 0 HG LEU A 68 12.020 1.435 -12.367 1.00 53.45 H new ATOM 0 HD11 LEU A 68 10.526 -0.516 -12.532 1.00 2.32 H new ATOM 0 HD12 LEU A 68 11.186 -0.053 -14.118 1.00 2.32 H new ATOM 0 HD13 LEU A 68 11.848 -1.462 -13.256 1.00 2.32 H new ATOM 0 HD21 LEU A 68 11.836 -0.137 -10.475 1.00 4.42 H new ATOM 0 HD22 LEU A 68 13.209 -1.067 -11.120 1.00 4.42 H new ATOM 0 HD23 LEU A 68 13.451 0.605 -10.561 1.00 4.42 H new ATOM 1080 N GLN A 69 16.394 2.016 -14.635 1.00 55.44 N ATOM 1081 CA GLN A 69 17.719 1.825 -15.212 1.00 40.23 C ATOM 1082 C GLN A 69 18.805 2.289 -14.248 1.00 55.11 C ATOM 1083 O GLN A 69 19.792 1.587 -14.020 1.00 41.34 O ATOM 1084 CB GLN A 69 17.837 2.584 -16.535 1.00 64.42 C ATOM 1085 CG GLN A 69 18.809 1.948 -17.516 1.00 2.33 C ATOM 1086 CD GLN A 69 18.177 1.671 -18.866 1.00 42.31 C ATOM 1087 OE1 GLN A 69 18.382 2.417 -19.825 1.00 61.25 O ATOM 1088 NE2 GLN A 69 17.405 0.595 -18.949 1.00 24.31 N ATOM 0 H GLN A 69 15.776 2.614 -15.184 1.00 55.44 H new ATOM 0 HA GLN A 69 17.856 0.760 -15.399 1.00 40.23 H new ATOM 0 HB2 GLN A 69 16.853 2.644 -16.999 1.00 64.42 H new ATOM 0 HB3 GLN A 69 18.156 3.606 -16.331 1.00 64.42 H new ATOM 0 HG2 GLN A 69 19.668 2.606 -17.649 1.00 2.33 H new ATOM 0 HG3 GLN A 69 19.185 1.015 -17.096 1.00 2.33 H new ATOM 0 HE21 GLN A 69 17.263 0.005 -18.129 1.00 24.31 H new ATOM 0 HE22 GLN A 69 16.954 0.358 -19.833 1.00 24.31 H new ATOM 1097 N THR A 70 18.620 3.479 -13.682 1.00 24.14 N ATOM 1098 CA THR A 70 19.584 4.038 -12.744 1.00 11.13 C ATOM 1099 C THR A 70 18.892 4.566 -11.493 1.00 21.22 C ATOM 1100 O THR A 70 19.273 5.602 -10.951 1.00 15.34 O ATOM 1101 CB THR A 70 20.397 5.178 -13.387 1.00 51.12 C ATOM 1102 OG1 THR A 70 20.525 4.954 -14.795 1.00 12.14 O ATOM 1103 CG2 THR A 70 21.778 5.279 -12.757 1.00 54.52 C ATOM 0 H THR A 70 17.810 4.074 -13.858 1.00 24.14 H new ATOM 0 HA THR A 70 20.261 3.230 -12.467 1.00 11.13 H new ATOM 0 HB THR A 70 19.867 6.115 -13.215 1.00 51.12 H new ATOM 0 HG1 THR A 70 21.041 5.684 -15.197 1.00 12.14 H new ATOM 0 HG21 THR A 70 22.334 6.090 -13.227 1.00 54.52 H new ATOM 0 HG22 THR A 70 21.678 5.478 -11.690 1.00 54.52 H new ATOM 0 HG23 THR A 70 22.314 4.341 -12.902 1.00 54.52 H new ATOM 1111 N GLY A 71 17.871 3.845 -11.038 1.00 75.42 N ATOM 1112 CA GLY A 71 17.142 4.256 -9.853 1.00 40.01 C ATOM 1113 C GLY A 71 17.820 3.813 -8.572 1.00 13.53 C ATOM 1114 O GLY A 71 18.138 2.635 -8.405 1.00 5.41 O ATOM 0 H GLY A 71 17.536 2.984 -11.470 1.00 75.42 H new ATOM 0 HA2 GLY A 71 17.041 5.341 -9.850 1.00 40.01 H new ATOM 0 HA3 GLY A 71 16.134 3.842 -9.889 1.00 40.01 H new ATOM 1118 N SER A 72 18.044 4.758 -7.665 1.00 13.52 N ATOM 1119 CA SER A 72 18.695 4.461 -6.394 1.00 25.32 C ATOM 1120 C SER A 72 17.918 3.397 -5.623 1.00 5.43 C ATOM 1121 O SER A 72 16.906 2.885 -6.101 1.00 53.34 O ATOM 1122 CB SER A 72 18.818 5.730 -5.550 1.00 5.44 C ATOM 1123 OG SER A 72 17.566 6.099 -4.996 1.00 23.24 O ATOM 0 H SER A 72 17.784 5.737 -7.787 1.00 13.52 H new ATOM 0 HA SER A 72 19.693 4.077 -6.606 1.00 25.32 H new ATOM 0 HB2 SER A 72 19.540 5.569 -4.749 1.00 5.44 H new ATOM 0 HB3 SER A 72 19.201 6.544 -6.166 1.00 5.44 H new ATOM 0 HG SER A 72 17.673 6.912 -4.460 1.00 23.24 H new ATOM 1129 N GLU A 73 18.400 3.071 -4.429 1.00 53.21 N ATOM 1130 CA GLU A 73 17.753 2.068 -3.591 1.00 21.31 C ATOM 1131 C GLU A 73 16.302 2.450 -3.308 1.00 35.12 C ATOM 1132 O GLU A 73 15.449 1.584 -3.113 1.00 52.30 O ATOM 1133 CB GLU A 73 18.514 1.902 -2.274 1.00 31.22 C ATOM 1134 CG GLU A 73 18.531 0.473 -1.758 1.00 34.11 C ATOM 1135 CD GLU A 73 17.879 0.337 -0.396 1.00 45.22 C ATOM 1136 OE1 GLU A 73 18.570 0.563 0.619 1.00 12.45 O ATOM 1137 OE2 GLU A 73 16.677 0.004 -0.345 1.00 25.02 O ATOM 0 H GLU A 73 19.237 3.487 -4.019 1.00 53.21 H new ATOM 0 HA GLU A 73 17.764 1.120 -4.130 1.00 21.31 H new ATOM 0 HB2 GLU A 73 19.540 2.242 -2.412 1.00 31.22 H new ATOM 0 HB3 GLU A 73 18.063 2.547 -1.520 1.00 31.22 H new ATOM 0 HG2 GLU A 73 18.016 -0.172 -2.469 1.00 34.11 H new ATOM 0 HG3 GLU A 73 19.562 0.124 -1.700 1.00 34.11 H new ATOM 1144 N GLU A 74 16.032 3.751 -3.287 1.00 14.24 N ATOM 1145 CA GLU A 74 14.686 4.248 -3.027 1.00 33.32 C ATOM 1146 C GLU A 74 13.766 3.970 -4.212 1.00 44.23 C ATOM 1147 O GLU A 74 12.716 3.343 -4.064 1.00 42.42 O ATOM 1148 CB GLU A 74 14.720 5.749 -2.735 1.00 74.43 C ATOM 1149 CG GLU A 74 15.310 6.091 -1.377 1.00 75.12 C ATOM 1150 CD GLU A 74 16.263 7.271 -1.435 1.00 24.43 C ATOM 1151 OE1 GLU A 74 15.794 8.418 -1.291 1.00 15.51 O ATOM 1152 OE2 GLU A 74 17.476 7.045 -1.626 1.00 64.22 O ATOM 0 H GLU A 74 16.727 4.480 -3.447 1.00 14.24 H new ATOM 0 HA GLU A 74 14.295 3.725 -2.154 1.00 33.32 H new ATOM 0 HB2 GLU A 74 15.301 6.249 -3.510 1.00 74.43 H new ATOM 0 HB3 GLU A 74 13.706 6.145 -2.791 1.00 74.43 H new ATOM 0 HG2 GLU A 74 14.502 6.315 -0.680 1.00 75.12 H new ATOM 0 HG3 GLU A 74 15.838 5.222 -0.985 1.00 75.12 H new ATOM 1159 N LEU A 75 14.166 4.441 -5.388 1.00 70.24 N ATOM 1160 CA LEU A 75 13.378 4.245 -6.600 1.00 64.43 C ATOM 1161 C LEU A 75 13.168 2.759 -6.878 1.00 71.03 C ATOM 1162 O LEU A 75 12.124 2.355 -7.390 1.00 32.21 O ATOM 1163 CB LEU A 75 14.066 4.906 -7.793 1.00 13.12 C ATOM 1164 CG LEU A 75 13.195 5.138 -9.028 1.00 32.13 C ATOM 1165 CD1 LEU A 75 13.667 6.366 -9.792 1.00 61.10 C ATOM 1166 CD2 LEU A 75 13.207 3.911 -9.928 1.00 70.22 C ATOM 0 H LEU A 75 15.032 4.962 -5.528 1.00 70.24 H new ATOM 0 HA LEU A 75 12.404 4.709 -6.449 1.00 64.43 H new ATOM 0 HB2 LEU A 75 14.465 5.867 -7.469 1.00 13.12 H new ATOM 0 HB3 LEU A 75 14.916 4.289 -8.084 1.00 13.12 H new ATOM 0 HG LEU A 75 12.171 5.312 -8.698 1.00 32.13 H new ATOM 0 HD11 LEU A 75 13.035 6.515 -10.668 1.00 61.10 H new ATOM 0 HD12 LEU A 75 13.605 7.242 -9.147 1.00 61.10 H new ATOM 0 HD13 LEU A 75 14.700 6.222 -10.110 1.00 61.10 H new ATOM 0 HD21 LEU A 75 12.582 4.095 -10.802 1.00 70.22 H new ATOM 0 HD22 LEU A 75 14.228 3.705 -10.249 1.00 70.22 H new ATOM 0 HD23 LEU A 75 12.820 3.053 -9.379 1.00 70.22 H new ATOM 1178 N ARG A 76 14.166 1.951 -6.535 1.00 54.51 N ATOM 1179 CA ARG A 76 14.091 0.511 -6.747 1.00 5.51 C ATOM 1180 C ARG A 76 13.200 -0.147 -5.698 1.00 73.01 C ATOM 1181 O ARG A 76 12.494 -1.113 -5.987 1.00 22.31 O ATOM 1182 CB ARG A 76 15.490 -0.106 -6.703 1.00 24.35 C ATOM 1183 CG ARG A 76 15.639 -1.339 -7.579 1.00 64.12 C ATOM 1184 CD ARG A 76 15.246 -2.604 -6.832 1.00 55.32 C ATOM 1185 NE ARG A 76 16.390 -3.483 -6.603 1.00 23.31 N ATOM 1186 CZ ARG A 76 16.941 -4.232 -7.551 1.00 31.40 C ATOM 1187 NH1 ARG A 76 16.456 -4.210 -8.785 1.00 62.42 N ATOM 1188 NH2 ARG A 76 17.980 -5.007 -7.266 1.00 14.54 N ATOM 0 H ARG A 76 15.036 2.270 -6.109 1.00 54.51 H new ATOM 0 HA ARG A 76 13.655 0.336 -7.731 1.00 5.51 H new ATOM 0 HB2 ARG A 76 16.218 0.642 -7.016 1.00 24.35 H new ATOM 0 HB3 ARG A 76 15.729 -0.371 -5.673 1.00 24.35 H new ATOM 0 HG2 ARG A 76 15.017 -1.232 -8.468 1.00 64.12 H new ATOM 0 HG3 ARG A 76 16.671 -1.422 -7.920 1.00 64.12 H new ATOM 0 HD2 ARG A 76 14.798 -2.335 -5.875 1.00 55.32 H new ATOM 0 HD3 ARG A 76 14.486 -3.139 -7.401 1.00 55.32 H new ATOM 0 HE ARG A 76 16.787 -3.524 -5.664 1.00 23.31 H new ATOM 0 HH11 ARG A 76 15.657 -3.616 -9.009 1.00 62.42 H new ATOM 0 HH12 ARG A 76 16.882 -4.787 -9.511 1.00 62.42 H new ATOM 0 HH21 ARG A 76 18.356 -5.028 -6.318 1.00 14.54 H new ATOM 0 HH22 ARG A 76 18.403 -5.582 -7.995 1.00 14.54 H new ATOM 1202 N SER A 77 13.239 0.382 -4.480 1.00 70.14 N ATOM 1203 CA SER A 77 12.439 -0.157 -3.386 1.00 73.01 C ATOM 1204 C SER A 77 10.964 0.187 -3.572 1.00 73.51 C ATOM 1205 O SER A 77 10.082 -0.573 -3.169 1.00 70.23 O ATOM 1206 CB SER A 77 12.937 0.388 -2.045 1.00 5.04 C ATOM 1207 OG SER A 77 14.094 -0.306 -1.611 1.00 11.42 O ATOM 0 H SER A 77 13.816 1.184 -4.225 1.00 70.14 H new ATOM 0 HA SER A 77 12.545 -1.242 -3.391 1.00 73.01 H new ATOM 0 HB2 SER A 77 13.161 1.450 -2.141 1.00 5.04 H new ATOM 0 HB3 SER A 77 12.151 0.294 -1.296 1.00 5.04 H new ATOM 0 HG SER A 77 14.891 0.111 -2.000 1.00 11.42 H new ATOM 1213 N LEU A 78 10.704 1.336 -4.183 1.00 4.12 N ATOM 1214 CA LEU A 78 9.336 1.783 -4.424 1.00 71.51 C ATOM 1215 C LEU A 78 8.655 0.909 -5.473 1.00 42.20 C ATOM 1216 O LEU A 78 7.598 0.330 -5.223 1.00 62.05 O ATOM 1217 CB LEU A 78 9.327 3.243 -4.876 1.00 11.30 C ATOM 1218 CG LEU A 78 8.906 4.270 -3.823 1.00 72.22 C ATOM 1219 CD1 LEU A 78 7.524 3.942 -3.280 1.00 20.40 C ATOM 1220 CD2 LEU A 78 9.925 4.322 -2.693 1.00 53.31 C ATOM 0 H LEU A 78 11.422 1.976 -4.521 1.00 4.12 H new ATOM 0 HA LEU A 78 8.782 1.696 -3.490 1.00 71.51 H new ATOM 0 HB2 LEU A 78 10.327 3.500 -5.226 1.00 11.30 H new ATOM 0 HB3 LEU A 78 8.657 3.334 -5.731 1.00 11.30 H new ATOM 0 HG LEU A 78 8.865 5.251 -4.296 1.00 72.22 H new ATOM 0 HD11 LEU A 78 7.241 4.683 -2.532 1.00 20.40 H new ATOM 0 HD12 LEU A 78 6.800 3.955 -4.095 1.00 20.40 H new ATOM 0 HD13 LEU A 78 7.538 2.953 -2.823 1.00 20.40 H new ATOM 0 HD21 LEU A 78 9.610 5.058 -1.953 1.00 53.31 H new ATOM 0 HD22 LEU A 78 9.997 3.341 -2.222 1.00 53.31 H new ATOM 0 HD23 LEU A 78 10.899 4.604 -3.094 1.00 53.31 H new ATOM 1232 N TYR A 79 9.268 0.818 -6.647 1.00 34.12 N ATOM 1233 CA TYR A 79 8.722 0.016 -7.736 1.00 65.52 C ATOM 1234 C TYR A 79 8.300 -1.363 -7.237 1.00 54.24 C ATOM 1235 O TYR A 79 7.259 -1.887 -7.631 1.00 31.05 O ATOM 1236 CB TYR A 79 9.750 -0.128 -8.858 1.00 13.32 C ATOM 1237 CG TYR A 79 9.153 -0.577 -10.173 1.00 5.22 C ATOM 1238 CD1 TYR A 79 8.393 0.293 -10.946 1.00 42.35 C ATOM 1239 CD2 TYR A 79 9.347 -1.870 -10.641 1.00 12.23 C ATOM 1240 CE1 TYR A 79 7.845 -0.112 -12.148 1.00 63.43 C ATOM 1241 CE2 TYR A 79 8.804 -2.284 -11.842 1.00 12.04 C ATOM 1242 CZ TYR A 79 8.054 -1.402 -12.591 1.00 2.13 C ATOM 1243 OH TYR A 79 7.509 -1.810 -13.787 1.00 33.44 O ATOM 0 H TYR A 79 10.144 1.290 -6.870 1.00 34.12 H new ATOM 0 HA TYR A 79 7.842 0.528 -8.124 1.00 65.52 H new ATOM 0 HB2 TYR A 79 10.252 0.828 -9.004 1.00 13.32 H new ATOM 0 HB3 TYR A 79 10.512 -0.844 -8.551 1.00 13.32 H new ATOM 0 HD1 TYR A 79 8.228 1.303 -10.601 1.00 42.35 H new ATOM 0 HD2 TYR A 79 9.932 -2.564 -10.056 1.00 12.23 H new ATOM 0 HE1 TYR A 79 7.257 0.576 -12.737 1.00 63.43 H new ATOM 0 HE2 TYR A 79 8.966 -3.293 -12.192 1.00 12.04 H new ATOM 0 HH TYR A 79 7.751 -2.745 -13.955 1.00 33.44 H new ATOM 1253 N ASN A 80 9.118 -1.945 -6.365 1.00 31.24 N ATOM 1254 CA ASN A 80 8.831 -3.264 -5.812 1.00 54.44 C ATOM 1255 C ASN A 80 7.666 -3.199 -4.829 1.00 41.24 C ATOM 1256 O ASN A 80 6.925 -4.168 -4.662 1.00 3.41 O ATOM 1257 CB ASN A 80 10.071 -3.827 -5.115 1.00 21.10 C ATOM 1258 CG ASN A 80 10.945 -4.637 -6.054 1.00 4.20 C ATOM 1259 OD1 ASN A 80 10.450 -5.272 -6.986 1.00 54.10 O ATOM 1260 ND2 ASN A 80 12.249 -4.618 -5.811 1.00 34.21 N ATOM 0 H ASN A 80 9.984 -1.525 -6.027 1.00 31.24 H new ATOM 0 HA ASN A 80 8.553 -3.924 -6.634 1.00 54.44 H new ATOM 0 HB2 ASN A 80 10.654 -3.006 -4.698 1.00 21.10 H new ATOM 0 HB3 ASN A 80 9.761 -4.455 -4.279 1.00 21.10 H new ATOM 0 HD21 ASN A 80 12.887 -5.144 -6.408 1.00 34.21 H new ATOM 0 HD22 ASN A 80 12.614 -4.077 -5.027 1.00 34.21 H new ATOM 1267 N THR A 81 7.510 -2.050 -4.179 1.00 54.45 N ATOM 1268 CA THR A 81 6.437 -1.858 -3.212 1.00 42.11 C ATOM 1269 C THR A 81 5.112 -1.571 -3.910 1.00 74.33 C ATOM 1270 O THR A 81 4.169 -2.357 -3.818 1.00 35.32 O ATOM 1271 CB THR A 81 6.753 -0.704 -2.243 1.00 14.20 C ATOM 1272 OG1 THR A 81 8.029 -0.916 -1.627 1.00 61.11 O ATOM 1273 CG2 THR A 81 5.680 -0.587 -1.171 1.00 72.14 C ATOM 0 H THR A 81 8.114 -1.238 -4.305 1.00 54.45 H new ATOM 0 HA THR A 81 6.353 -2.786 -2.646 1.00 42.11 H new ATOM 0 HB THR A 81 6.776 0.224 -2.814 1.00 14.20 H new ATOM 0 HG1 THR A 81 8.730 -0.513 -2.180 1.00 61.11 H new ATOM 0 HG21 THR A 81 5.926 0.235 -0.499 1.00 72.14 H new ATOM 0 HG22 THR A 81 4.715 -0.396 -1.641 1.00 72.14 H new ATOM 0 HG23 THR A 81 5.629 -1.517 -0.604 1.00 72.14 H new ATOM 1281 N ILE A 82 5.050 -0.443 -4.609 1.00 61.42 N ATOM 1282 CA ILE A 82 3.841 -0.055 -5.324 1.00 64.34 C ATOM 1283 C ILE A 82 3.326 -1.197 -6.194 1.00 62.00 C ATOM 1284 O ILE A 82 2.119 -1.374 -6.353 1.00 1.40 O ATOM 1285 CB ILE A 82 4.083 1.182 -6.210 1.00 71.35 C ATOM 1286 CG1 ILE A 82 4.573 2.356 -5.361 1.00 44.20 C ATOM 1287 CG2 ILE A 82 2.812 1.554 -6.958 1.00 11.31 C ATOM 1288 CD1 ILE A 82 5.733 3.105 -5.977 1.00 31.41 C ATOM 0 H ILE A 82 5.822 0.218 -4.695 1.00 61.42 H new ATOM 0 HA ILE A 82 3.093 0.189 -4.570 1.00 64.34 H new ATOM 0 HB ILE A 82 4.854 0.942 -6.942 1.00 71.35 H new ATOM 0 HG12 ILE A 82 3.747 3.049 -5.203 1.00 44.20 H new ATOM 0 HG13 ILE A 82 4.870 1.985 -4.380 1.00 44.20 H new ATOM 0 HG21 ILE A 82 2.999 2.430 -7.580 1.00 11.31 H new ATOM 0 HG22 ILE A 82 2.504 0.720 -7.589 1.00 11.31 H new ATOM 0 HG23 ILE A 82 2.021 1.779 -6.242 1.00 11.31 H new ATOM 0 HD11 ILE A 82 6.027 3.924 -5.320 1.00 31.41 H new ATOM 0 HD12 ILE A 82 6.575 2.426 -6.110 1.00 31.41 H new ATOM 0 HD13 ILE A 82 5.434 3.506 -6.945 1.00 31.41 H new ATOM 1300 N ALA A 83 4.251 -1.970 -6.754 1.00 0.22 N ATOM 1301 CA ALA A 83 3.891 -3.098 -7.605 1.00 54.43 C ATOM 1302 C ALA A 83 3.050 -4.115 -6.841 1.00 62.10 C ATOM 1303 O ALA A 83 2.179 -4.771 -7.414 1.00 12.34 O ATOM 1304 CB ALA A 83 5.143 -3.758 -8.163 1.00 52.33 C ATOM 0 H ALA A 83 5.255 -1.836 -6.634 1.00 0.22 H new ATOM 0 HA ALA A 83 3.292 -2.720 -8.434 1.00 54.43 H new ATOM 0 HB1 ALA A 83 4.860 -4.599 -8.796 1.00 52.33 H new ATOM 0 HB2 ALA A 83 5.705 -3.033 -8.752 1.00 52.33 H new ATOM 0 HB3 ALA A 83 5.763 -4.116 -7.341 1.00 52.33 H new ATOM 1310 N VAL A 84 3.314 -4.241 -5.544 1.00 31.05 N ATOM 1311 CA VAL A 84 2.581 -5.179 -4.702 1.00 13.23 C ATOM 1312 C VAL A 84 1.143 -4.717 -4.491 1.00 70.45 C ATOM 1313 O VAL A 84 0.221 -5.532 -4.433 1.00 23.53 O ATOM 1314 CB VAL A 84 3.260 -5.351 -3.331 1.00 72.31 C ATOM 1315 CG1 VAL A 84 2.380 -6.168 -2.398 1.00 40.52 C ATOM 1316 CG2 VAL A 84 4.627 -6.002 -3.493 1.00 42.20 C ATOM 0 H VAL A 84 4.030 -3.705 -5.054 1.00 31.05 H new ATOM 0 HA VAL A 84 2.580 -6.138 -5.221 1.00 13.23 H new ATOM 0 HB VAL A 84 3.401 -4.365 -2.888 1.00 72.31 H new ATOM 0 HG11 VAL A 84 2.876 -6.279 -1.434 1.00 40.52 H new ATOM 0 HG12 VAL A 84 1.426 -5.659 -2.259 1.00 40.52 H new ATOM 0 HG13 VAL A 84 2.206 -7.153 -2.832 1.00 40.52 H new ATOM 0 HG21 VAL A 84 5.094 -6.116 -2.515 1.00 42.20 H new ATOM 0 HG22 VAL A 84 4.511 -6.982 -3.956 1.00 42.20 H new ATOM 0 HG23 VAL A 84 5.256 -5.374 -4.124 1.00 42.20 H new ATOM 1326 N LEU A 85 0.959 -3.408 -4.375 1.00 54.42 N ATOM 1327 CA LEU A 85 -0.368 -2.837 -4.169 1.00 12.52 C ATOM 1328 C LEU A 85 -1.174 -2.853 -5.464 1.00 12.43 C ATOM 1329 O LEU A 85 -2.293 -3.364 -5.504 1.00 61.25 O ATOM 1330 CB LEU A 85 -0.252 -1.404 -3.645 1.00 63.44 C ATOM 1331 CG LEU A 85 -1.561 -0.622 -3.537 1.00 41.15 C ATOM 1332 CD1 LEU A 85 -2.462 -1.231 -2.473 1.00 23.41 C ATOM 1333 CD2 LEU A 85 -1.283 0.842 -3.227 1.00 23.11 C ATOM 0 H LEU A 85 1.711 -2.721 -4.420 1.00 54.42 H new ATOM 0 HA LEU A 85 -0.889 -3.447 -3.431 1.00 12.52 H new ATOM 0 HB2 LEU A 85 0.212 -1.435 -2.659 1.00 63.44 H new ATOM 0 HB3 LEU A 85 0.424 -0.853 -4.298 1.00 63.44 H new ATOM 0 HG LEU A 85 -2.076 -0.680 -4.496 1.00 41.15 H new ATOM 0 HD11 LEU A 85 -3.389 -0.661 -2.411 1.00 23.41 H new ATOM 0 HD12 LEU A 85 -2.689 -2.264 -2.736 1.00 23.41 H new ATOM 0 HD13 LEU A 85 -1.955 -1.205 -1.509 1.00 23.41 H new ATOM 0 HD21 LEU A 85 -2.226 1.384 -3.154 1.00 23.11 H new ATOM 0 HD22 LEU A 85 -0.746 0.918 -2.281 1.00 23.11 H new ATOM 0 HD23 LEU A 85 -0.677 1.274 -4.024 1.00 23.11 H new ATOM 1345 N TYR A 86 -0.597 -2.292 -6.521 1.00 4.31 N ATOM 1346 CA TYR A 86 -1.262 -2.241 -7.818 1.00 70.25 C ATOM 1347 C TYR A 86 -1.955 -3.564 -8.126 1.00 64.43 C ATOM 1348 O TYR A 86 -3.136 -3.592 -8.477 1.00 45.14 O ATOM 1349 CB TYR A 86 -0.253 -1.913 -8.919 1.00 42.30 C ATOM 1350 CG TYR A 86 -0.827 -2.007 -10.315 1.00 65.34 C ATOM 1351 CD1 TYR A 86 -1.780 -1.098 -10.757 1.00 21.42 C ATOM 1352 CD2 TYR A 86 -0.417 -3.005 -11.190 1.00 73.34 C ATOM 1353 CE1 TYR A 86 -2.308 -1.181 -12.031 1.00 31.53 C ATOM 1354 CE2 TYR A 86 -0.938 -3.095 -12.466 1.00 53.14 C ATOM 1355 CZ TYR A 86 -1.884 -2.181 -12.881 1.00 3.14 C ATOM 1356 OH TYR A 86 -2.407 -2.267 -14.152 1.00 21.12 O ATOM 0 H TYR A 86 0.330 -1.866 -6.505 1.00 4.31 H new ATOM 0 HA TYR A 86 -2.017 -1.456 -7.781 1.00 70.25 H new ATOM 0 HB2 TYR A 86 0.130 -0.905 -8.760 1.00 42.30 H new ATOM 0 HB3 TYR A 86 0.595 -2.593 -8.837 1.00 42.30 H new ATOM 0 HD1 TYR A 86 -2.114 -0.314 -10.094 1.00 21.42 H new ATOM 0 HD2 TYR A 86 0.322 -3.723 -10.867 1.00 73.34 H new ATOM 0 HE1 TYR A 86 -3.049 -0.467 -12.359 1.00 31.53 H new ATOM 0 HE2 TYR A 86 -0.607 -3.876 -13.134 1.00 53.14 H new ATOM 0 HH TYR A 86 -2.002 -3.026 -14.622 1.00 21.12 H new ATOM 1366 N CYS A 87 -1.214 -4.658 -7.992 1.00 63.03 N ATOM 1367 CA CYS A 87 -1.757 -5.986 -8.256 1.00 50.02 C ATOM 1368 C CYS A 87 -2.898 -6.309 -7.295 1.00 14.33 C ATOM 1369 O CYS A 87 -3.928 -6.848 -7.698 1.00 2.20 O ATOM 1370 CB CYS A 87 -0.657 -7.043 -8.133 1.00 4.55 C ATOM 1371 SG CYS A 87 0.291 -7.299 -9.651 1.00 53.24 S ATOM 0 H CYS A 87 -0.236 -4.652 -7.702 1.00 63.03 H new ATOM 0 HA CYS A 87 -2.149 -5.995 -9.273 1.00 50.02 H new ATOM 0 HB2 CYS A 87 0.026 -6.751 -7.335 1.00 4.55 H new ATOM 0 HB3 CYS A 87 -1.108 -7.989 -7.835 1.00 4.55 H new ATOM 0 HG CYS A 87 0.869 -8.463 -9.611 1.00 53.24 H new ATOM 1377 N VAL A 88 -2.705 -5.976 -6.023 1.00 12.12 N ATOM 1378 CA VAL A 88 -3.717 -6.229 -5.005 1.00 74.53 C ATOM 1379 C VAL A 88 -4.997 -5.455 -5.296 1.00 34.11 C ATOM 1380 O VAL A 88 -6.087 -5.863 -4.897 1.00 64.20 O ATOM 1381 CB VAL A 88 -3.209 -5.851 -3.601 1.00 73.14 C ATOM 1382 CG1 VAL A 88 -4.339 -5.921 -2.586 1.00 1.31 C ATOM 1383 CG2 VAL A 88 -2.055 -6.754 -3.190 1.00 21.13 C ATOM 0 H VAL A 88 -1.857 -5.530 -5.673 1.00 12.12 H new ATOM 0 HA VAL A 88 -3.929 -7.298 -5.031 1.00 74.53 H new ATOM 0 HB VAL A 88 -2.844 -4.824 -3.631 1.00 73.14 H new ATOM 0 HG11 VAL A 88 -3.960 -5.651 -1.600 1.00 1.31 H new ATOM 0 HG12 VAL A 88 -5.130 -5.228 -2.873 1.00 1.31 H new ATOM 0 HG13 VAL A 88 -4.738 -6.935 -2.556 1.00 1.31 H new ATOM 0 HG21 VAL A 88 -1.709 -6.472 -2.196 1.00 21.13 H new ATOM 0 HG22 VAL A 88 -2.391 -7.791 -3.177 1.00 21.13 H new ATOM 0 HG23 VAL A 88 -1.237 -6.647 -3.903 1.00 21.13 H new ATOM 1393 N HIS A 89 -4.857 -4.333 -5.995 1.00 13.24 N ATOM 1394 CA HIS A 89 -6.003 -3.499 -6.343 1.00 54.24 C ATOM 1395 C HIS A 89 -6.678 -4.008 -7.613 1.00 64.33 C ATOM 1396 O HIS A 89 -7.902 -3.889 -7.688 1.00 55.11 O ATOM 1397 CB HIS A 89 -5.565 -2.047 -6.533 1.00 15.01 C ATOM 1398 CG HIS A 89 -5.492 -1.271 -5.253 1.00 3.02 C ATOM 1399 ND1 HIS A 89 -6.367 -1.464 -4.206 1.00 62.44 N ATOM 1400 CD2 HIS A 89 -4.641 -0.297 -4.855 1.00 64.41 C ATOM 1401 CE1 HIS A 89 -6.058 -0.642 -3.219 1.00 61.31 C ATOM 1402 NE2 HIS A 89 -5.013 0.076 -3.588 1.00 51.32 N ATOM 0 H HIS A 89 -3.961 -3.980 -6.332 1.00 13.24 H new ATOM 0 HA HIS A 89 -6.721 -3.550 -5.524 1.00 54.24 H new ATOM 0 HB2 HIS A 89 -4.587 -2.031 -7.014 1.00 15.01 H new ATOM 0 HB3 HIS A 89 -6.261 -1.552 -7.210 1.00 15.01 H new ATOM 0 HD2 HIS A 89 -3.821 0.111 -5.428 1.00 64.41 H new ATOM 0 HE1 HIS A 89 -6.572 -0.570 -2.272 1.00 61.31 H new ATOM 0 HE2 HIS A 89 -4.556 0.792 -3.023 1.00 51.32 H new ATOM 1411 N GLN A 90 -5.943 -4.553 -8.577 1.00 65.42 N ATOM 1412 CA GLN A 90 -6.546 -5.052 -9.807 1.00 73.32 C ATOM 1413 C GLN A 90 -7.055 -6.479 -9.624 1.00 12.34 C ATOM 1414 O GLN A 90 -7.248 -7.208 -10.597 1.00 65.02 O ATOM 1415 CB GLN A 90 -5.533 -5.003 -10.953 1.00 63.24 C ATOM 1416 CG GLN A 90 -5.554 -3.695 -11.727 1.00 30.52 C ATOM 1417 CD GLN A 90 -6.817 -3.525 -12.549 1.00 2.20 C ATOM 1418 OE1 GLN A 90 -6.980 -4.151 -13.596 1.00 21.52 O ATOM 1419 NE2 GLN A 90 -7.720 -2.673 -12.077 1.00 41.21 N ATOM 0 H GLN A 90 -4.930 -4.660 -8.530 1.00 65.42 H new ATOM 0 HA GLN A 90 -7.393 -4.412 -10.052 1.00 73.32 H new ATOM 0 HB2 GLN A 90 -4.533 -5.161 -10.550 1.00 63.24 H new ATOM 0 HB3 GLN A 90 -5.734 -5.825 -11.640 1.00 63.24 H new ATOM 0 HG2 GLN A 90 -5.464 -2.863 -11.029 1.00 30.52 H new ATOM 0 HG3 GLN A 90 -4.687 -3.653 -12.386 1.00 30.52 H new ATOM 0 HE21 GLN A 90 -7.544 -2.175 -11.205 1.00 41.21 H new ATOM 0 HE22 GLN A 90 -8.589 -2.517 -12.587 1.00 41.21 H new ATOM 1428 N ARG A 91 -7.271 -6.868 -8.372 1.00 72.40 N ATOM 1429 CA ARG A 91 -7.756 -8.207 -8.062 1.00 63.24 C ATOM 1430 C ARG A 91 -6.742 -9.265 -8.488 1.00 70.13 C ATOM 1431 O ARG A 91 -7.113 -10.353 -8.930 1.00 3.13 O ATOM 1432 CB ARG A 91 -9.095 -8.461 -8.756 1.00 43.04 C ATOM 1433 CG ARG A 91 -10.134 -9.110 -7.856 1.00 43.11 C ATOM 1434 CD ARG A 91 -10.407 -10.548 -8.267 1.00 24.24 C ATOM 1435 NE ARG A 91 -10.552 -11.429 -7.112 1.00 21.53 N ATOM 1436 CZ ARG A 91 -11.617 -11.431 -6.317 1.00 33.01 C ATOM 1437 NH1 ARG A 91 -12.625 -10.603 -6.553 1.00 15.21 N ATOM 1438 NH2 ARG A 91 -11.675 -12.263 -5.285 1.00 20.24 N ATOM 0 H ARG A 91 -7.118 -6.275 -7.556 1.00 72.40 H new ATOM 0 HA ARG A 91 -7.895 -8.275 -6.983 1.00 63.24 H new ATOM 0 HB2 ARG A 91 -9.488 -7.514 -9.126 1.00 43.04 H new ATOM 0 HB3 ARG A 91 -8.929 -9.099 -9.624 1.00 43.04 H new ATOM 0 HG2 ARG A 91 -9.788 -9.085 -6.823 1.00 43.11 H new ATOM 0 HG3 ARG A 91 -11.060 -8.537 -7.896 1.00 43.11 H new ATOM 0 HD2 ARG A 91 -11.315 -10.587 -8.869 1.00 24.24 H new ATOM 0 HD3 ARG A 91 -9.592 -10.906 -8.896 1.00 24.24 H new ATOM 0 HE ARG A 91 -9.794 -12.079 -6.904 1.00 21.53 H new ATOM 0 HH11 ARG A 91 -12.584 -9.963 -7.346 1.00 15.21 H new ATOM 0 HH12 ARG A 91 -13.441 -10.606 -5.942 1.00 15.21 H new ATOM 0 HH21 ARG A 91 -10.902 -12.902 -5.101 1.00 20.24 H new ATOM 0 HH22 ARG A 91 -12.493 -12.263 -4.676 1.00 20.24 H new ATOM 1452 N ILE A 92 -5.461 -8.939 -8.352 1.00 44.13 N ATOM 1453 CA ILE A 92 -4.394 -9.861 -8.721 1.00 3.15 C ATOM 1454 C ILE A 92 -3.788 -10.523 -7.488 1.00 12.54 C ATOM 1455 O ILE A 92 -3.220 -9.851 -6.627 1.00 1.24 O ATOM 1456 CB ILE A 92 -3.280 -9.147 -9.508 1.00 51.20 C ATOM 1457 CG1 ILE A 92 -3.878 -8.341 -10.664 1.00 75.20 C ATOM 1458 CG2 ILE A 92 -2.267 -10.156 -10.027 1.00 54.44 C ATOM 1459 CD1 ILE A 92 -2.837 -7.680 -11.541 1.00 42.33 C ATOM 0 H ILE A 92 -5.137 -8.043 -7.989 1.00 44.13 H new ATOM 0 HA ILE A 92 -4.843 -10.625 -9.356 1.00 3.15 H new ATOM 0 HB ILE A 92 -2.766 -8.458 -8.837 1.00 51.20 H new ATOM 0 HG12 ILE A 92 -4.492 -9.001 -11.277 1.00 75.20 H new ATOM 0 HG13 ILE A 92 -4.539 -7.575 -10.259 1.00 75.20 H new ATOM 0 HG21 ILE A 92 -1.486 -9.635 -10.581 1.00 54.44 H new ATOM 0 HG22 ILE A 92 -1.822 -10.690 -9.187 1.00 54.44 H new ATOM 0 HG23 ILE A 92 -2.766 -10.867 -10.685 1.00 54.44 H new ATOM 0 HD11 ILE A 92 -3.332 -7.126 -12.339 1.00 42.33 H new ATOM 0 HD12 ILE A 92 -2.238 -6.995 -10.941 1.00 42.33 H new ATOM 0 HD13 ILE A 92 -2.190 -8.442 -11.975 1.00 42.33 H new ATOM 1471 N ASP A 93 -3.910 -11.843 -7.412 1.00 34.53 N ATOM 1472 CA ASP A 93 -3.370 -12.597 -6.286 1.00 71.31 C ATOM 1473 C ASP A 93 -2.018 -13.208 -6.640 1.00 61.30 C ATOM 1474 O ASP A 93 -1.904 -13.982 -7.590 1.00 61.30 O ATOM 1475 CB ASP A 93 -4.347 -13.697 -5.866 1.00 15.34 C ATOM 1476 CG ASP A 93 -5.781 -13.209 -5.818 1.00 60.52 C ATOM 1477 OD1 ASP A 93 -6.022 -12.132 -5.234 1.00 62.13 O ATOM 1478 OD2 ASP A 93 -6.663 -13.905 -6.363 1.00 4.12 O ATOM 0 H ASP A 93 -4.378 -12.414 -8.116 1.00 34.53 H new ATOM 0 HA ASP A 93 -3.230 -11.908 -5.453 1.00 71.31 H new ATOM 0 HB2 ASP A 93 -4.273 -14.531 -6.564 1.00 15.34 H new ATOM 0 HB3 ASP A 93 -4.062 -14.077 -4.885 1.00 15.34 H new ATOM 1483 N VAL A 94 -0.995 -12.854 -5.868 1.00 14.21 N ATOM 1484 CA VAL A 94 0.350 -13.368 -6.100 1.00 40.21 C ATOM 1485 C VAL A 94 0.944 -13.950 -4.821 1.00 4.51 C ATOM 1486 O VAL A 94 0.299 -13.959 -3.772 1.00 12.55 O ATOM 1487 CB VAL A 94 1.288 -12.268 -6.633 1.00 42.43 C ATOM 1488 CG1 VAL A 94 1.001 -11.986 -8.099 1.00 21.42 C ATOM 1489 CG2 VAL A 94 1.147 -11.001 -5.802 1.00 55.33 C ATOM 0 H VAL A 94 -1.072 -12.214 -5.077 1.00 14.21 H new ATOM 0 HA VAL A 94 0.263 -14.155 -6.849 1.00 40.21 H new ATOM 0 HB VAL A 94 2.316 -12.619 -6.549 1.00 42.43 H new ATOM 0 HG11 VAL A 94 1.673 -11.207 -8.458 1.00 21.42 H new ATOM 0 HG12 VAL A 94 1.155 -12.894 -8.681 1.00 21.42 H new ATOM 0 HG13 VAL A 94 -0.031 -11.654 -8.210 1.00 21.42 H new ATOM 0 HG21 VAL A 94 1.816 -10.234 -6.192 1.00 55.33 H new ATOM 0 HG22 VAL A 94 0.118 -10.645 -5.853 1.00 55.33 H new ATOM 0 HG23 VAL A 94 1.406 -11.215 -4.765 1.00 55.33 H new ATOM 1499 N LYS A 95 2.176 -14.435 -4.916 1.00 73.41 N ATOM 1500 CA LYS A 95 2.860 -15.019 -3.767 1.00 4.12 C ATOM 1501 C LYS A 95 4.007 -14.126 -3.305 1.00 25.02 C ATOM 1502 O LYS A 95 3.997 -13.616 -2.184 1.00 25.11 O ATOM 1503 CB LYS A 95 3.392 -16.411 -4.117 1.00 0.45 C ATOM 1504 CG LYS A 95 2.303 -17.402 -4.489 1.00 13.20 C ATOM 1505 CD LYS A 95 2.889 -18.692 -5.041 1.00 2.40 C ATOM 1506 CE LYS A 95 2.544 -19.882 -4.159 1.00 24.44 C ATOM 1507 NZ LYS A 95 3.583 -20.122 -3.120 1.00 23.34 N ATOM 0 H LYS A 95 2.723 -14.436 -5.777 1.00 73.41 H new ATOM 0 HA LYS A 95 2.140 -15.106 -2.953 1.00 4.12 H new ATOM 0 HB2 LYS A 95 4.092 -16.325 -4.948 1.00 0.45 H new ATOM 0 HB3 LYS A 95 3.952 -16.801 -3.267 1.00 0.45 H new ATOM 0 HG2 LYS A 95 1.696 -17.623 -3.611 1.00 13.20 H new ATOM 0 HG3 LYS A 95 1.641 -16.955 -5.231 1.00 13.20 H new ATOM 0 HD2 LYS A 95 2.511 -18.863 -6.049 1.00 2.40 H new ATOM 0 HD3 LYS A 95 3.972 -18.597 -5.119 1.00 2.40 H new ATOM 0 HE2 LYS A 95 1.582 -19.710 -3.677 1.00 24.44 H new ATOM 0 HE3 LYS A 95 2.436 -20.773 -4.777 1.00 24.44 H new ATOM 0 HZ1 LYS A 95 3.311 -20.941 -2.540 1.00 23.34 H new ATOM 0 HZ2 LYS A 95 4.496 -20.311 -3.580 1.00 23.34 H new ATOM 0 HZ3 LYS A 95 3.668 -19.281 -2.514 1.00 23.34 H new ATOM 1521 N ASP A 96 4.993 -13.939 -4.176 1.00 53.05 N ATOM 1522 CA ASP A 96 6.146 -13.105 -3.857 1.00 33.00 C ATOM 1523 C ASP A 96 6.122 -11.812 -4.666 1.00 24.33 C ATOM 1524 O ASP A 96 5.463 -11.728 -5.704 1.00 42.03 O ATOM 1525 CB ASP A 96 7.444 -13.867 -4.129 1.00 33.11 C ATOM 1526 CG ASP A 96 7.390 -14.660 -5.420 1.00 20.30 C ATOM 1527 OD1 ASP A 96 7.666 -14.076 -6.489 1.00 42.31 O ATOM 1528 OD2 ASP A 96 7.073 -15.866 -5.362 1.00 64.45 O ATOM 0 H ASP A 96 5.017 -14.353 -5.108 1.00 53.05 H new ATOM 0 HA ASP A 96 6.098 -12.851 -2.798 1.00 33.00 H new ATOM 0 HB2 ASP A 96 8.274 -13.161 -4.174 1.00 33.11 H new ATOM 0 HB3 ASP A 96 7.646 -14.544 -3.299 1.00 33.11 H new ATOM 1533 N THR A 97 6.843 -10.805 -4.185 1.00 72.12 N ATOM 1534 CA THR A 97 6.902 -9.515 -4.861 1.00 30.43 C ATOM 1535 C THR A 97 7.013 -9.691 -6.372 1.00 70.30 C ATOM 1536 O THR A 97 6.115 -9.305 -7.120 1.00 22.43 O ATOM 1537 CB THR A 97 8.094 -8.674 -4.365 1.00 30.43 C ATOM 1538 OG1 THR A 97 7.911 -8.333 -2.987 1.00 51.33 O ATOM 1539 CG2 THR A 97 8.244 -7.407 -5.192 1.00 5.55 C ATOM 0 H THR A 97 7.395 -10.858 -3.329 1.00 72.12 H new ATOM 0 HA THR A 97 5.975 -8.992 -4.625 1.00 30.43 H new ATOM 0 HB THR A 97 9.001 -9.268 -4.475 1.00 30.43 H new ATOM 0 HG1 THR A 97 8.613 -8.755 -2.449 1.00 51.33 H new ATOM 0 HG21 THR A 97 9.092 -6.830 -4.823 1.00 5.55 H new ATOM 0 HG22 THR A 97 8.412 -7.672 -6.236 1.00 5.55 H new ATOM 0 HG23 THR A 97 7.336 -6.810 -5.111 1.00 5.55 H new ATOM 1547 N LYS A 98 8.120 -10.277 -6.815 1.00 54.13 N ATOM 1548 CA LYS A 98 8.349 -10.507 -8.236 1.00 53.12 C ATOM 1549 C LYS A 98 7.094 -11.057 -8.907 1.00 75.24 C ATOM 1550 O LYS A 98 6.626 -10.513 -9.907 1.00 61.22 O ATOM 1551 CB LYS A 98 9.515 -11.479 -8.436 1.00 51.01 C ATOM 1552 CG LYS A 98 10.036 -11.519 -9.862 1.00 42.32 C ATOM 1553 CD LYS A 98 10.925 -10.324 -10.164 1.00 11.43 C ATOM 1554 CE LYS A 98 11.543 -10.425 -11.550 1.00 43.24 C ATOM 1555 NZ LYS A 98 12.888 -11.063 -11.512 1.00 62.34 N ATOM 0 H LYS A 98 8.874 -10.602 -6.209 1.00 54.13 H new ATOM 0 HA LYS A 98 8.598 -9.551 -8.697 1.00 53.12 H new ATOM 0 HB2 LYS A 98 10.330 -11.198 -7.768 1.00 51.01 H new ATOM 0 HB3 LYS A 98 9.196 -12.480 -8.146 1.00 51.01 H new ATOM 0 HG2 LYS A 98 10.597 -12.440 -10.020 1.00 42.32 H new ATOM 0 HG3 LYS A 98 9.196 -11.534 -10.557 1.00 42.32 H new ATOM 0 HD2 LYS A 98 10.341 -9.407 -10.091 1.00 11.43 H new ATOM 0 HD3 LYS A 98 11.715 -10.259 -9.416 1.00 11.43 H new ATOM 0 HE2 LYS A 98 10.885 -11.002 -12.200 1.00 43.24 H new ATOM 0 HE3 LYS A 98 11.626 -9.429 -11.984 1.00 43.24 H new ATOM 0 HZ1 LYS A 98 13.276 -11.113 -12.476 1.00 62.34 H new ATOM 0 HZ2 LYS A 98 13.523 -10.499 -10.912 1.00 62.34 H new ATOM 0 HZ3 LYS A 98 12.806 -12.023 -11.121 1.00 62.34 H new ATOM 1569 N GLU A 99 6.556 -12.137 -8.350 1.00 22.02 N ATOM 1570 CA GLU A 99 5.355 -12.759 -8.895 1.00 3.34 C ATOM 1571 C GLU A 99 4.318 -11.703 -9.272 1.00 55.41 C ATOM 1572 O GLU A 99 3.627 -11.830 -10.281 1.00 44.01 O ATOM 1573 CB GLU A 99 4.756 -13.738 -7.883 1.00 33.44 C ATOM 1574 CG GLU A 99 4.443 -15.104 -8.471 1.00 33.41 C ATOM 1575 CD GLU A 99 4.025 -16.110 -7.418 1.00 71.54 C ATOM 1576 OE1 GLU A 99 2.848 -16.082 -7.003 1.00 30.24 O ATOM 1577 OE2 GLU A 99 4.877 -16.928 -7.007 1.00 13.41 O ATOM 0 H GLU A 99 6.932 -12.599 -7.522 1.00 22.02 H new ATOM 0 HA GLU A 99 5.637 -13.305 -9.795 1.00 3.34 H new ATOM 0 HB2 GLU A 99 5.451 -13.860 -7.052 1.00 33.44 H new ATOM 0 HB3 GLU A 99 3.841 -13.310 -7.473 1.00 33.44 H new ATOM 0 HG2 GLU A 99 3.647 -15.004 -9.209 1.00 33.41 H new ATOM 0 HG3 GLU A 99 5.321 -15.478 -8.998 1.00 33.41 H new ATOM 1584 N ALA A 100 4.219 -10.662 -8.452 1.00 11.03 N ATOM 1585 CA ALA A 100 3.270 -9.584 -8.698 1.00 2.35 C ATOM 1586 C ALA A 100 3.708 -8.726 -9.881 1.00 41.01 C ATOM 1587 O ALA A 100 2.909 -8.413 -10.764 1.00 71.40 O ATOM 1588 CB ALA A 100 3.109 -8.726 -7.452 1.00 33.01 C ATOM 0 H ALA A 100 4.785 -10.543 -7.612 1.00 11.03 H new ATOM 0 HA ALA A 100 2.307 -10.031 -8.944 1.00 2.35 H new ATOM 0 HB1 ALA A 100 2.397 -7.925 -7.651 1.00 33.01 H new ATOM 0 HB2 ALA A 100 2.742 -9.342 -6.631 1.00 33.01 H new ATOM 0 HB3 ALA A 100 4.073 -8.295 -7.180 1.00 33.01 H new ATOM 1594 N LEU A 101 4.982 -8.348 -9.892 1.00 42.24 N ATOM 1595 CA LEU A 101 5.527 -7.525 -10.966 1.00 41.33 C ATOM 1596 C LEU A 101 5.285 -8.174 -12.325 1.00 52.24 C ATOM 1597 O LEU A 101 4.652 -7.585 -13.201 1.00 11.44 O ATOM 1598 CB LEU A 101 7.025 -7.300 -10.753 1.00 31.21 C ATOM 1599 CG LEU A 101 7.408 -6.365 -9.606 1.00 61.33 C ATOM 1600 CD1 LEU A 101 8.743 -6.777 -9.005 1.00 12.45 C ATOM 1601 CD2 LEU A 101 7.458 -4.923 -10.087 1.00 65.21 C ATOM 0 H LEU A 101 5.657 -8.598 -9.169 1.00 42.24 H new ATOM 0 HA LEU A 101 5.016 -6.562 -10.948 1.00 41.33 H new ATOM 0 HB2 LEU A 101 7.496 -8.267 -10.579 1.00 31.21 H new ATOM 0 HB3 LEU A 101 7.447 -6.902 -11.676 1.00 31.21 H new ATOM 0 HG LEU A 101 6.646 -6.441 -8.831 1.00 61.33 H new ATOM 0 HD11 LEU A 101 8.999 -6.100 -8.190 1.00 12.45 H new ATOM 0 HD12 LEU A 101 8.671 -7.795 -8.622 1.00 12.45 H new ATOM 0 HD13 LEU A 101 9.517 -6.731 -9.772 1.00 12.45 H new ATOM 0 HD21 LEU A 101 7.732 -4.272 -9.257 1.00 65.21 H new ATOM 0 HD22 LEU A 101 8.199 -4.830 -10.881 1.00 65.21 H new ATOM 0 HD23 LEU A 101 6.479 -4.632 -10.468 1.00 65.21 H new ATOM 1613 N ASP A 102 5.793 -9.390 -12.492 1.00 44.32 N ATOM 1614 CA ASP A 102 5.630 -10.121 -13.743 1.00 63.24 C ATOM 1615 C ASP A 102 4.166 -10.139 -14.175 1.00 1.22 C ATOM 1616 O ASP A 102 3.853 -9.957 -15.351 1.00 33.14 O ATOM 1617 CB ASP A 102 6.147 -11.552 -13.593 1.00 55.11 C ATOM 1618 CG ASP A 102 7.352 -11.827 -14.473 1.00 25.14 C ATOM 1619 OD1 ASP A 102 7.183 -11.880 -15.710 1.00 5.10 O ATOM 1620 OD2 ASP A 102 8.462 -11.987 -13.926 1.00 62.53 O ATOM 0 H ASP A 102 6.321 -9.890 -11.777 1.00 44.32 H new ATOM 0 HA ASP A 102 6.211 -9.611 -14.511 1.00 63.24 H new ATOM 0 HB2 ASP A 102 6.413 -11.732 -12.551 1.00 55.11 H new ATOM 0 HB3 ASP A 102 5.350 -12.252 -13.844 1.00 55.11 H new ATOM 1625 N LYS A 103 3.274 -10.361 -13.216 1.00 13.41 N ATOM 1626 CA LYS A 103 1.844 -10.402 -13.496 1.00 61.53 C ATOM 1627 C LYS A 103 1.385 -9.119 -14.179 1.00 40.33 C ATOM 1628 O LYS A 103 0.473 -9.136 -15.006 1.00 61.35 O ATOM 1629 CB LYS A 103 1.056 -10.614 -12.201 1.00 63.51 C ATOM 1630 CG LYS A 103 -0.037 -11.662 -12.319 1.00 72.24 C ATOM 1631 CD LYS A 103 0.535 -13.030 -12.652 1.00 40.31 C ATOM 1632 CE LYS A 103 -0.510 -14.123 -12.500 1.00 64.44 C ATOM 1633 NZ LYS A 103 -0.526 -15.044 -13.670 1.00 14.23 N ATOM 0 H LYS A 103 3.516 -10.515 -12.237 1.00 13.41 H new ATOM 0 HA LYS A 103 1.655 -11.238 -14.170 1.00 61.53 H new ATOM 0 HB2 LYS A 103 1.746 -10.908 -11.410 1.00 63.51 H new ATOM 0 HB3 LYS A 103 0.609 -9.667 -11.898 1.00 63.51 H new ATOM 0 HG2 LYS A 103 -0.592 -11.717 -11.383 1.00 72.24 H new ATOM 0 HG3 LYS A 103 -0.745 -11.365 -13.092 1.00 72.24 H new ATOM 0 HD2 LYS A 103 0.915 -13.028 -13.674 1.00 40.31 H new ATOM 0 HD3 LYS A 103 1.381 -13.241 -11.998 1.00 40.31 H new ATOM 0 HE2 LYS A 103 -0.310 -14.693 -11.593 1.00 64.44 H new ATOM 0 HE3 LYS A 103 -1.494 -13.670 -12.381 1.00 64.44 H new ATOM 0 HZ1 LYS A 103 -1.252 -15.775 -13.527 1.00 14.23 H new ATOM 0 HZ2 LYS A 103 -0.742 -14.505 -14.533 1.00 14.23 H new ATOM 0 HZ3 LYS A 103 0.405 -15.496 -13.769 1.00 14.23 H new ATOM 1647 N ILE A 104 2.023 -8.006 -13.829 1.00 61.45 N ATOM 1648 CA ILE A 104 1.681 -6.714 -14.410 1.00 32.41 C ATOM 1649 C ILE A 104 2.072 -6.655 -15.882 1.00 14.55 C ATOM 1650 O ILE A 104 1.348 -6.094 -16.705 1.00 54.32 O ATOM 1651 CB ILE A 104 2.370 -5.560 -13.660 1.00 74.05 C ATOM 1652 CG1 ILE A 104 1.946 -5.553 -12.189 1.00 72.30 C ATOM 1653 CG2 ILE A 104 2.039 -4.229 -14.317 1.00 1.22 C ATOM 1654 CD1 ILE A 104 2.861 -4.741 -11.300 1.00 11.40 C ATOM 0 H ILE A 104 2.780 -7.974 -13.146 1.00 61.45 H new ATOM 0 HA ILE A 104 0.601 -6.601 -14.318 1.00 32.41 H new ATOM 0 HB ILE A 104 3.449 -5.709 -13.708 1.00 74.05 H new ATOM 0 HG12 ILE A 104 0.933 -5.157 -12.113 1.00 72.30 H new ATOM 0 HG13 ILE A 104 1.915 -6.579 -11.823 1.00 72.30 H new ATOM 0 HG21 ILE A 104 2.534 -3.423 -13.775 1.00 1.22 H new ATOM 0 HG22 ILE A 104 2.385 -4.237 -15.351 1.00 1.22 H new ATOM 0 HG23 ILE A 104 0.961 -4.072 -14.297 1.00 1.22 H new ATOM 0 HD11 ILE A 104 2.500 -4.781 -10.272 1.00 11.40 H new ATOM 0 HD12 ILE A 104 3.870 -5.150 -11.346 1.00 11.40 H new ATOM 0 HD13 ILE A 104 2.874 -3.705 -11.640 1.00 11.40 H new ATOM 1666 N GLU A 105 3.223 -7.236 -16.208 1.00 21.24 N ATOM 1667 CA GLU A 105 3.709 -7.248 -17.582 1.00 33.25 C ATOM 1668 C GLU A 105 2.805 -8.098 -18.472 1.00 13.23 C ATOM 1669 O GLU A 105 2.425 -7.680 -19.566 1.00 52.11 O ATOM 1670 CB GLU A 105 5.142 -7.783 -17.635 1.00 32.02 C ATOM 1671 CG GLU A 105 6.174 -6.724 -17.984 1.00 74.25 C ATOM 1672 CD GLU A 105 7.487 -6.925 -17.251 1.00 51.11 C ATOM 1673 OE1 GLU A 105 7.451 -7.264 -16.050 1.00 42.25 O ATOM 1674 OE2 GLU A 105 8.550 -6.744 -17.880 1.00 13.23 O ATOM 0 H GLU A 105 3.835 -7.704 -15.540 1.00 21.24 H new ATOM 0 HA GLU A 105 3.697 -6.223 -17.953 1.00 33.25 H new ATOM 0 HB2 GLU A 105 5.394 -8.219 -16.668 1.00 32.02 H new ATOM 0 HB3 GLU A 105 5.194 -8.586 -18.371 1.00 32.02 H new ATOM 0 HG2 GLU A 105 6.356 -6.740 -19.059 1.00 74.25 H new ATOM 0 HG3 GLU A 105 5.774 -5.739 -17.743 1.00 74.25 H new ATOM 1681 N GLU A 106 2.466 -9.290 -17.994 1.00 30.14 N ATOM 1682 CA GLU A 106 1.608 -10.198 -18.747 1.00 61.24 C ATOM 1683 C GLU A 106 0.328 -9.496 -19.189 1.00 52.44 C ATOM 1684 O GLU A 106 -0.217 -9.788 -20.253 1.00 72.00 O ATOM 1685 CB GLU A 106 1.264 -11.427 -17.902 1.00 5.23 C ATOM 1686 CG GLU A 106 0.591 -12.538 -18.690 1.00 32.24 C ATOM 1687 CD GLU A 106 -0.835 -12.791 -18.243 1.00 21.20 C ATOM 1688 OE1 GLU A 106 -1.556 -11.807 -17.973 1.00 24.01 O ATOM 1689 OE2 GLU A 106 -1.230 -13.973 -18.162 1.00 5.31 O ATOM 0 H GLU A 106 2.772 -9.650 -17.090 1.00 30.14 H new ATOM 0 HA GLU A 106 2.151 -10.518 -19.636 1.00 61.24 H new ATOM 0 HB2 GLU A 106 2.177 -11.815 -17.451 1.00 5.23 H new ATOM 0 HB3 GLU A 106 0.609 -11.124 -17.085 1.00 5.23 H new ATOM 0 HG2 GLU A 106 0.595 -12.281 -19.749 1.00 32.24 H new ATOM 0 HG3 GLU A 106 1.169 -13.456 -18.583 1.00 32.24 H new ATOM 1696 N GLU A 107 -0.147 -8.568 -18.363 1.00 70.24 N ATOM 1697 CA GLU A 107 -1.364 -7.826 -18.668 1.00 2.32 C ATOM 1698 C GLU A 107 -1.116 -6.807 -19.778 1.00 61.41 C ATOM 1699 O GLU A 107 -1.772 -6.838 -20.818 1.00 30.24 O ATOM 1700 CB GLU A 107 -1.882 -7.116 -17.416 1.00 51.31 C ATOM 1701 CG GLU A 107 -3.195 -7.677 -16.897 1.00 42.50 C ATOM 1702 CD GLU A 107 -3.312 -7.586 -15.388 1.00 62.14 C ATOM 1703 OE1 GLU A 107 -3.499 -6.464 -14.873 1.00 2.43 O ATOM 1704 OE2 GLU A 107 -3.217 -8.638 -14.722 1.00 2.32 O ATOM 0 H GLU A 107 0.293 -8.313 -17.479 1.00 70.24 H new ATOM 0 HA GLU A 107 -2.116 -8.536 -19.011 1.00 2.32 H new ATOM 0 HB2 GLU A 107 -1.130 -7.188 -16.630 1.00 51.31 H new ATOM 0 HB3 GLU A 107 -2.011 -6.056 -17.637 1.00 51.31 H new ATOM 0 HG2 GLU A 107 -4.023 -7.136 -17.355 1.00 42.50 H new ATOM 0 HG3 GLU A 107 -3.287 -8.719 -17.203 1.00 42.50 H new ATOM 1711 N GLN A 108 -0.165 -5.909 -19.546 1.00 11.41 N ATOM 1712 CA GLN A 108 0.169 -4.881 -20.526 1.00 41.42 C ATOM 1713 C GLN A 108 0.497 -5.504 -21.878 1.00 61.11 C ATOM 1714 O GLN A 108 0.302 -4.883 -22.922 1.00 10.45 O ATOM 1715 CB GLN A 108 1.352 -4.045 -20.036 1.00 62.21 C ATOM 1716 CG GLN A 108 1.049 -2.558 -19.941 1.00 44.30 C ATOM 1717 CD GLN A 108 1.677 -1.762 -21.068 1.00 53.32 C ATOM 1718 OE1 GLN A 108 2.443 -0.827 -20.831 1.00 62.24 O ATOM 1719 NE2 GLN A 108 1.357 -2.129 -22.303 1.00 30.44 N ATOM 0 H GLN A 108 0.388 -5.872 -18.690 1.00 11.41 H new ATOM 0 HA GLN A 108 -0.699 -4.233 -20.646 1.00 41.42 H new ATOM 0 HB2 GLN A 108 1.661 -4.408 -19.056 1.00 62.21 H new ATOM 0 HB3 GLN A 108 2.195 -4.193 -20.711 1.00 62.21 H new ATOM 0 HG2 GLN A 108 -0.031 -2.409 -19.954 1.00 44.30 H new ATOM 0 HG3 GLN A 108 1.412 -2.177 -18.986 1.00 44.30 H new ATOM 0 HE21 GLN A 108 0.718 -2.910 -22.454 1.00 30.44 H new ATOM 0 HE22 GLN A 108 1.750 -1.630 -23.101 1.00 30.44 H new ATOM 1728 N ASN A 109 0.995 -6.736 -21.852 1.00 13.42 N ATOM 1729 CA ASN A 109 1.351 -7.443 -23.077 1.00 12.52 C ATOM 1730 C ASN A 109 0.134 -7.611 -23.981 1.00 20.33 C ATOM 1731 O ASN A 109 0.261 -7.695 -25.203 1.00 13.32 O ATOM 1732 CB ASN A 109 1.948 -8.812 -22.745 1.00 23.12 C ATOM 1733 CG ASN A 109 3.400 -8.927 -23.163 1.00 33.44 C ATOM 1734 OD1 ASN A 109 3.710 -9.008 -24.352 1.00 31.54 O ATOM 1735 ND2 ASN A 109 4.299 -8.936 -22.186 1.00 13.44 N ATOM 0 H ASN A 109 1.161 -7.265 -20.996 1.00 13.42 H new ATOM 0 HA ASN A 109 2.095 -6.849 -23.607 1.00 12.52 H new ATOM 0 HB2 ASN A 109 1.866 -8.990 -21.673 1.00 23.12 H new ATOM 0 HB3 ASN A 109 1.367 -9.589 -23.242 1.00 23.12 H new ATOM 0 HD21 ASN A 109 5.292 -9.012 -22.407 1.00 13.44 H new ATOM 0 HD22 ASN A 109 3.997 -8.867 -21.214 1.00 13.44 H new ATOM 1742 N LYS A 110 -1.046 -7.659 -23.373 1.00 42.33 N ATOM 1743 CA LYS A 110 -2.287 -7.814 -24.121 1.00 30.21 C ATOM 1744 C LYS A 110 -2.597 -6.558 -24.928 1.00 24.32 C ATOM 1745 O LYS A 110 -2.851 -6.628 -26.130 1.00 22.24 O ATOM 1746 CB LYS A 110 -3.445 -8.121 -23.169 1.00 24.21 C ATOM 1747 CG LYS A 110 -4.615 -8.822 -23.840 1.00 50.13 C ATOM 1748 CD LYS A 110 -5.945 -8.353 -23.274 1.00 72.14 C ATOM 1749 CE LYS A 110 -7.078 -9.288 -23.668 1.00 43.42 C ATOM 1750 NZ LYS A 110 -7.633 -10.014 -22.493 1.00 53.24 N ATOM 0 H LYS A 110 -1.169 -7.593 -22.363 1.00 42.33 H new ATOM 0 HA LYS A 110 -2.163 -8.647 -24.813 1.00 30.21 H new ATOM 0 HB2 LYS A 110 -3.078 -8.744 -22.353 1.00 24.21 H new ATOM 0 HB3 LYS A 110 -3.796 -7.189 -22.725 1.00 24.21 H new ATOM 0 HG2 LYS A 110 -4.588 -8.632 -24.913 1.00 50.13 H new ATOM 0 HG3 LYS A 110 -4.521 -9.899 -23.705 1.00 50.13 H new ATOM 0 HD2 LYS A 110 -5.880 -8.296 -22.187 1.00 72.14 H new ATOM 0 HD3 LYS A 110 -6.160 -7.347 -23.633 1.00 72.14 H new ATOM 0 HE2 LYS A 110 -7.871 -8.715 -24.148 1.00 43.42 H new ATOM 0 HE3 LYS A 110 -6.716 -10.008 -24.402 1.00 43.42 H new ATOM 0 HZ1 LYS A 110 -8.403 -10.641 -22.804 1.00 53.24 H new ATOM 0 HZ2 LYS A 110 -6.883 -10.581 -22.049 1.00 53.24 H new ATOM 0 HZ3 LYS A 110 -8.002 -9.328 -21.804 1.00 53.24 H new ATOM 1764 N SER A 111 -2.576 -5.410 -24.259 1.00 54.55 N ATOM 1765 CA SER A 111 -2.857 -4.138 -24.914 1.00 50.22 C ATOM 1766 C SER A 111 -1.738 -3.767 -25.884 1.00 2.40 C ATOM 1767 O SER A 111 -1.967 -3.082 -26.881 1.00 33.33 O ATOM 1768 CB SER A 111 -3.031 -3.031 -23.872 1.00 72.15 C ATOM 1769 OG SER A 111 -4.390 -2.897 -23.493 1.00 23.14 O ATOM 0 H SER A 111 -2.367 -5.335 -23.263 1.00 54.55 H new ATOM 0 HA SER A 111 -3.783 -4.245 -25.478 1.00 50.22 H new ATOM 0 HB2 SER A 111 -2.426 -3.255 -22.994 1.00 72.15 H new ATOM 0 HB3 SER A 111 -2.668 -2.086 -24.276 1.00 72.15 H new ATOM 0 HG SER A 111 -4.475 -2.185 -22.825 1.00 23.14 H new ATOM 1775 N LYS A 112 -0.528 -4.223 -25.583 1.00 32.41 N ATOM 1776 CA LYS A 112 0.628 -3.943 -26.427 1.00 43.43 C ATOM 1777 C LYS A 112 0.370 -4.378 -27.866 1.00 64.45 C ATOM 1778 O LYS A 112 0.748 -3.688 -28.811 1.00 13.13 O ATOM 1779 CB LYS A 112 1.869 -4.654 -25.881 1.00 2.22 C ATOM 1780 CG LYS A 112 3.141 -4.329 -26.644 1.00 21.35 C ATOM 1781 CD LYS A 112 3.953 -3.254 -25.943 1.00 50.42 C ATOM 1782 CE LYS A 112 5.229 -2.932 -26.706 1.00 33.31 C ATOM 1783 NZ LYS A 112 6.429 -2.981 -25.825 1.00 11.21 N ATOM 0 H LYS A 112 -0.321 -4.789 -24.760 1.00 32.41 H new ATOM 0 HA LYS A 112 0.801 -2.867 -26.418 1.00 43.43 H new ATOM 0 HB2 LYS A 112 2.003 -4.380 -24.834 1.00 2.22 H new ATOM 0 HB3 LYS A 112 1.703 -5.731 -25.910 1.00 2.22 H new ATOM 0 HG2 LYS A 112 3.744 -5.231 -26.749 1.00 21.35 H new ATOM 0 HG3 LYS A 112 2.887 -3.996 -27.651 1.00 21.35 H new ATOM 0 HD2 LYS A 112 3.351 -2.351 -25.841 1.00 50.42 H new ATOM 0 HD3 LYS A 112 4.204 -3.585 -24.935 1.00 50.42 H new ATOM 0 HE2 LYS A 112 5.351 -3.640 -27.525 1.00 33.31 H new ATOM 0 HE3 LYS A 112 5.146 -1.941 -27.151 1.00 33.31 H new ATOM 0 HZ1 LYS A 112 7.278 -2.756 -26.382 1.00 11.21 H new ATOM 0 HZ2 LYS A 112 6.325 -2.287 -25.057 1.00 11.21 H new ATOM 0 HZ3 LYS A 112 6.523 -3.934 -25.420 1.00 11.21 H new ATOM 1797 N LYS A 113 -0.277 -5.528 -28.023 1.00 43.42 N ATOM 1798 CA LYS A 113 -0.589 -6.055 -29.346 1.00 61.33 C ATOM 1799 C LYS A 113 -1.352 -5.028 -30.176 1.00 43.24 C ATOM 1800 O LYS A 113 -1.233 -4.992 -31.400 1.00 13.32 O ATOM 1801 CB LYS A 113 -1.411 -7.341 -29.225 1.00 74.43 C ATOM 1802 CG LYS A 113 -0.659 -8.588 -29.659 1.00 55.52 C ATOM 1803 CD LYS A 113 -1.378 -9.853 -29.223 1.00 12.21 C ATOM 1804 CE LYS A 113 -0.772 -11.089 -29.870 1.00 60.45 C ATOM 1805 NZ LYS A 113 -1.554 -11.535 -31.056 1.00 10.22 N ATOM 0 H LYS A 113 -0.595 -6.113 -27.250 1.00 43.42 H new ATOM 0 HA LYS A 113 0.351 -6.278 -29.851 1.00 61.33 H new ATOM 0 HB2 LYS A 113 -1.731 -7.462 -28.190 1.00 74.43 H new ATOM 0 HB3 LYS A 113 -2.314 -7.243 -29.828 1.00 74.43 H new ATOM 0 HG2 LYS A 113 -0.547 -8.587 -30.743 1.00 55.52 H new ATOM 0 HG3 LYS A 113 0.345 -8.575 -29.235 1.00 55.52 H new ATOM 0 HD2 LYS A 113 -1.327 -9.947 -28.138 1.00 12.21 H new ATOM 0 HD3 LYS A 113 -2.433 -9.783 -29.487 1.00 12.21 H new ATOM 0 HE2 LYS A 113 0.254 -10.875 -30.171 1.00 60.45 H new ATOM 0 HE3 LYS A 113 -0.728 -11.897 -29.139 1.00 60.45 H new ATOM 0 HZ1 LYS A 113 -1.108 -12.380 -31.468 1.00 10.22 H new ATOM 0 HZ2 LYS A 113 -2.526 -11.763 -30.765 1.00 10.22 H new ATOM 0 HZ3 LYS A 113 -1.575 -10.774 -31.764 1.00 10.22 H new ATOM 1819 N LYS A 114 -2.137 -4.195 -29.501 1.00 13.42 N ATOM 1820 CA LYS A 114 -2.918 -3.163 -30.175 1.00 71.44 C ATOM 1821 C LYS A 114 -2.158 -1.842 -30.211 1.00 41.55 C ATOM 1822 O LYS A 114 -1.719 -1.395 -31.271 1.00 71.52 O ATOM 1823 CB LYS A 114 -4.262 -2.972 -29.470 1.00 23.35 C ATOM 1824 CG LYS A 114 -5.250 -4.098 -29.727 1.00 33.21 C ATOM 1825 CD LYS A 114 -6.572 -3.853 -29.019 1.00 71.24 C ATOM 1826 CE LYS A 114 -6.422 -3.954 -27.508 1.00 52.11 C ATOM 1827 NZ LYS A 114 -7.383 -4.927 -26.919 1.00 11.43 N ATOM 0 H LYS A 114 -2.250 -4.214 -28.487 1.00 13.42 H new ATOM 0 HA LYS A 114 -3.095 -3.487 -31.201 1.00 71.44 H new ATOM 0 HB2 LYS A 114 -4.091 -2.888 -28.397 1.00 23.35 H new ATOM 0 HB3 LYS A 114 -4.704 -2.031 -29.797 1.00 23.35 H new ATOM 0 HG2 LYS A 114 -5.423 -4.194 -30.799 1.00 33.21 H new ATOM 0 HG3 LYS A 114 -4.824 -5.042 -29.387 1.00 33.21 H new ATOM 0 HD2 LYS A 114 -6.950 -2.865 -29.283 1.00 71.24 H new ATOM 0 HD3 LYS A 114 -7.310 -4.579 -29.362 1.00 71.24 H new ATOM 0 HE2 LYS A 114 -5.404 -4.256 -27.264 1.00 52.11 H new ATOM 0 HE3 LYS A 114 -6.579 -2.972 -27.061 1.00 52.11 H new ATOM 0 HZ1 LYS A 114 -7.249 -4.967 -25.888 1.00 11.43 H new ATOM 0 HZ2 LYS A 114 -8.356 -4.625 -27.130 1.00 11.43 H new ATOM 0 HZ3 LYS A 114 -7.217 -5.869 -27.326 1.00 11.43 H new ATOM 1841 N ALA A 115 -2.004 -1.220 -29.046 1.00 4.44 N ATOM 1842 CA ALA A 115 -1.296 0.049 -28.945 1.00 15.11 C ATOM 1843 C ALA A 115 -1.906 1.096 -29.870 1.00 24.13 C ATOM 1844 O ALA A 115 -1.214 1.990 -30.354 1.00 55.02 O ATOM 1845 CB ALA A 115 0.180 -0.144 -29.266 1.00 61.44 C ATOM 0 H ALA A 115 -2.361 -1.575 -28.159 1.00 4.44 H new ATOM 0 HA ALA A 115 -1.392 0.408 -27.920 1.00 15.11 H new ATOM 0 HB1 ALA A 115 0.698 0.812 -29.187 1.00 61.44 H new ATOM 0 HB2 ALA A 115 0.616 -0.852 -28.561 1.00 61.44 H new ATOM 0 HB3 ALA A 115 0.284 -0.530 -30.280 1.00 61.44 H new ATOM 1851 N GLN A 116 -3.209 0.977 -30.112 1.00 71.41 N ATOM 1852 CA GLN A 116 -3.912 1.913 -30.981 1.00 65.44 C ATOM 1853 C GLN A 116 -3.881 3.322 -30.400 1.00 11.22 C ATOM 1854 O GLN A 116 -3.584 4.287 -31.104 1.00 71.22 O ATOM 1855 CB GLN A 116 -5.360 1.463 -31.183 1.00 31.11 C ATOM 1856 CG GLN A 116 -5.976 1.962 -32.479 1.00 4.51 C ATOM 1857 CD GLN A 116 -7.276 1.259 -32.817 1.00 61.44 C ATOM 1858 OE1 GLN A 116 -7.358 0.031 -32.778 1.00 63.42 O ATOM 1859 NE2 GLN A 116 -8.300 2.034 -33.151 1.00 3.53 N ATOM 0 H GLN A 116 -3.797 0.243 -29.719 1.00 71.41 H new ATOM 0 HA GLN A 116 -3.405 1.927 -31.946 1.00 65.44 H new ATOM 0 HB2 GLN A 116 -5.399 0.374 -31.168 1.00 31.11 H new ATOM 0 HB3 GLN A 116 -5.962 1.815 -30.345 1.00 31.11 H new ATOM 0 HG2 GLN A 116 -6.157 3.034 -32.401 1.00 4.51 H new ATOM 0 HG3 GLN A 116 -5.266 1.817 -33.294 1.00 4.51 H new ATOM 0 HE21 GLN A 116 -8.187 3.048 -33.170 1.00 3.53 H new ATOM 0 HE22 GLN A 116 -9.200 1.616 -33.388 1.00 3.53 H new ATOM 1868 N GLN A 117 -4.191 3.435 -29.112 1.00 61.33 N ATOM 1869 CA GLN A 117 -4.199 4.728 -28.438 1.00 65.43 C ATOM 1870 C GLN A 117 -2.808 5.352 -28.442 1.00 41.45 C ATOM 1871 O GLN A 117 -2.666 6.573 -28.393 1.00 44.23 O ATOM 1872 CB GLN A 117 -4.699 4.573 -27.000 1.00 14.23 C ATOM 1873 CG GLN A 117 -6.086 5.150 -26.773 1.00 42.21 C ATOM 1874 CD GLN A 117 -6.615 4.866 -25.381 1.00 5.31 C ATOM 1875 OE1 GLN A 117 -6.428 3.774 -24.844 1.00 43.42 O ATOM 1876 NE2 GLN A 117 -7.280 5.851 -24.787 1.00 1.04 N ATOM 0 H GLN A 117 -4.440 2.647 -28.515 1.00 61.33 H new ATOM 0 HA GLN A 117 -4.875 5.389 -28.981 1.00 65.43 H new ATOM 0 HB2 GLN A 117 -4.708 3.515 -26.739 1.00 14.23 H new ATOM 0 HB3 GLN A 117 -3.996 5.062 -26.325 1.00 14.23 H new ATOM 0 HG2 GLN A 117 -6.058 6.228 -26.934 1.00 42.21 H new ATOM 0 HG3 GLN A 117 -6.773 4.735 -27.510 1.00 42.21 H new ATOM 0 HE21 GLN A 117 -7.412 6.740 -25.269 1.00 1.04 H new ATOM 0 HE22 GLN A 117 -7.659 5.718 -23.849 1.00 1.04 H new ATOM 1885 N ALA A 118 -1.785 4.506 -28.501 1.00 42.45 N ATOM 1886 CA ALA A 118 -0.406 4.976 -28.513 1.00 10.11 C ATOM 1887 C ALA A 118 0.171 4.949 -29.924 1.00 74.13 C ATOM 1888 O ALA A 118 1.374 4.772 -30.109 1.00 34.20 O ATOM 1889 CB ALA A 118 0.447 4.134 -27.576 1.00 62.52 C ATOM 0 H ALA A 118 -1.886 3.492 -28.541 1.00 42.45 H new ATOM 0 HA ALA A 118 -0.397 6.009 -28.165 1.00 10.11 H new ATOM 0 HB1 ALA A 118 1.475 4.496 -27.595 1.00 62.52 H new ATOM 0 HB2 ALA A 118 0.055 4.208 -26.562 1.00 62.52 H new ATOM 0 HB3 ALA A 118 0.423 3.093 -27.899 1.00 62.52 H new ATOM 1895 N ALA A 119 -0.695 5.126 -30.916 1.00 63.12 N ATOM 1896 CA ALA A 119 -0.271 5.123 -32.310 1.00 31.40 C ATOM 1897 C ALA A 119 -1.155 6.035 -33.155 1.00 54.13 C ATOM 1898 O ALA A 119 -1.561 5.673 -34.258 1.00 2.14 O ATOM 1899 CB ALA A 119 -0.289 3.706 -32.865 1.00 3.00 C ATOM 0 H ALA A 119 -1.695 5.273 -30.780 1.00 63.12 H new ATOM 0 HA ALA A 119 0.749 5.506 -32.354 1.00 31.40 H new ATOM 0 HB1 ALA A 119 0.030 3.719 -33.907 1.00 3.00 H new ATOM 0 HB2 ALA A 119 0.390 3.080 -32.286 1.00 3.00 H new ATOM 0 HB3 ALA A 119 -1.300 3.303 -32.800 1.00 3.00 H new ATOM 1905 N ALA A 120 -1.448 7.220 -32.628 1.00 24.12 N ATOM 1906 CA ALA A 120 -2.283 8.184 -33.335 1.00 54.22 C ATOM 1907 C ALA A 120 -1.975 9.608 -32.886 1.00 42.11 C ATOM 1908 O ALA A 120 -2.837 10.486 -32.938 1.00 65.12 O ATOM 1909 CB ALA A 120 -3.755 7.867 -33.118 1.00 72.43 C ATOM 0 H ALA A 120 -1.120 7.535 -31.715 1.00 24.12 H new ATOM 0 HA ALA A 120 -2.060 8.109 -34.399 1.00 54.22 H new ATOM 0 HB1 ALA A 120 -4.366 8.595 -33.652 1.00 72.43 H new ATOM 0 HB2 ALA A 120 -3.971 6.867 -33.493 1.00 72.43 H new ATOM 0 HB3 ALA A 120 -3.984 7.912 -32.053 1.00 72.43 H new ATOM 1915 N ASP A 121 -0.742 9.831 -32.444 1.00 33.03 N ATOM 1916 CA ASP A 121 -0.321 11.150 -31.987 1.00 13.23 C ATOM 1917 C ASP A 121 1.079 11.481 -32.496 1.00 20.50 C ATOM 1918 O ASP A 121 1.809 12.258 -31.880 1.00 50.03 O ATOM 1919 CB ASP A 121 -0.350 11.217 -30.459 1.00 33.24 C ATOM 1920 CG ASP A 121 0.863 10.563 -29.828 1.00 51.12 C ATOM 1921 OD1 ASP A 121 0.934 9.316 -29.830 1.00 25.23 O ATOM 1922 OD2 ASP A 121 1.743 11.297 -29.330 1.00 3.04 O ATOM 0 H ASP A 121 -0.017 9.115 -32.393 1.00 33.03 H new ATOM 0 HA ASP A 121 -1.018 11.886 -32.389 1.00 13.23 H new ATOM 0 HB2 ASP A 121 -0.402 12.259 -30.145 1.00 33.24 H new ATOM 0 HB3 ASP A 121 -1.254 10.729 -30.094 1.00 33.24 H new ATOM 1927 N THR A 122 1.448 10.884 -33.626 1.00 50.53 N ATOM 1928 CA THR A 122 2.761 11.113 -34.216 1.00 5.15 C ATOM 1929 C THR A 122 2.767 12.377 -35.069 1.00 23.22 C ATOM 1930 O THR A 122 2.307 12.370 -36.210 1.00 44.55 O ATOM 1931 CB THR A 122 3.201 9.920 -35.085 1.00 32.20 C ATOM 1932 OG1 THR A 122 2.108 9.473 -35.895 1.00 33.22 O ATOM 1933 CG2 THR A 122 3.698 8.773 -34.218 1.00 51.44 C ATOM 0 H THR A 122 0.856 10.239 -34.150 1.00 50.53 H new ATOM 0 HA THR A 122 3.463 11.231 -33.390 1.00 5.15 H new ATOM 0 HB THR A 122 4.017 10.250 -35.728 1.00 32.20 H new ATOM 0 HG1 THR A 122 1.701 10.241 -36.348 1.00 33.22 H new ATOM 0 HG21 THR A 122 4.003 7.942 -34.854 1.00 51.44 H new ATOM 0 HG22 THR A 122 4.549 9.108 -33.625 1.00 51.44 H new ATOM 0 HG23 THR A 122 2.898 8.446 -33.553 1.00 51.44 H new ATOM 1941 N GLY A 123 3.293 13.462 -34.507 1.00 71.51 N ATOM 1942 CA GLY A 123 3.350 14.718 -35.231 1.00 14.23 C ATOM 1943 C GLY A 123 4.632 14.873 -36.024 1.00 32.15 C ATOM 1944 O GLY A 123 4.642 14.692 -37.241 1.00 72.41 O ATOM 0 H GLY A 123 3.680 13.493 -33.564 1.00 71.51 H new ATOM 0 HA2 GLY A 123 2.498 14.783 -35.908 1.00 14.23 H new ATOM 0 HA3 GLY A 123 3.260 15.544 -34.526 1.00 14.23 H new ATOM 1948 N ASN A 124 5.717 15.211 -35.334 1.00 4.23 N ATOM 1949 CA ASN A 124 7.010 15.392 -35.983 1.00 52.54 C ATOM 1950 C ASN A 124 7.812 14.095 -35.968 1.00 54.54 C ATOM 1951 O ASN A 124 7.462 13.144 -35.270 1.00 14.31 O ATOM 1952 CB ASN A 124 7.801 16.503 -35.289 1.00 61.12 C ATOM 1953 CG ASN A 124 8.275 16.098 -33.907 1.00 70.12 C ATOM 1954 OD1 ASN A 124 9.360 15.537 -33.750 1.00 62.32 O ATOM 1955 ND2 ASN A 124 7.463 16.381 -32.896 1.00 43.22 N ATOM 0 H ASN A 124 5.726 15.365 -34.326 1.00 4.23 H new ATOM 0 HA ASN A 124 6.832 15.676 -37.020 1.00 52.54 H new ATOM 0 HB2 ASN A 124 8.662 16.770 -35.902 1.00 61.12 H new ATOM 0 HB3 ASN A 124 7.178 17.394 -35.210 1.00 61.12 H new ATOM 0 HD21 ASN A 124 7.729 16.133 -31.943 1.00 43.22 H new ATOM 0 HD22 ASN A 124 6.573 16.847 -33.072 1.00 43.22 H new ATOM 1962 N ASN A 125 8.893 14.065 -36.743 1.00 42.55 N ATOM 1963 CA ASN A 125 9.746 12.885 -36.818 1.00 42.33 C ATOM 1964 C ASN A 125 10.871 12.961 -35.791 1.00 33.20 C ATOM 1965 O ASN A 125 11.418 14.033 -35.531 1.00 24.30 O ATOM 1966 CB ASN A 125 10.332 12.743 -38.224 1.00 14.13 C ATOM 1967 CG ASN A 125 9.268 12.474 -39.270 1.00 31.20 C ATOM 1968 OD1 ASN A 125 8.222 11.896 -38.973 1.00 12.00 O ATOM 1969 ND2 ASN A 125 9.530 12.892 -40.503 1.00 32.24 N ATOM 0 H ASN A 125 9.198 14.844 -37.327 1.00 42.55 H new ATOM 0 HA ASN A 125 9.135 12.010 -36.596 1.00 42.33 H new ATOM 0 HB2 ASN A 125 10.871 13.654 -38.484 1.00 14.13 H new ATOM 0 HB3 ASN A 125 11.058 11.930 -38.231 1.00 14.13 H new ATOM 0 HD21 ASN A 125 8.851 12.738 -41.249 1.00 32.24 H new ATOM 0 HD22 ASN A 125 10.410 13.367 -40.704 1.00 32.24 H new ATOM 1976 N SER A 126 11.213 11.815 -35.210 1.00 71.13 N ATOM 1977 CA SER A 126 12.271 11.751 -34.208 1.00 14.02 C ATOM 1978 C SER A 126 13.640 11.635 -34.872 1.00 43.04 C ATOM 1979 O SER A 126 14.564 12.379 -34.544 1.00 15.41 O ATOM 1980 CB SER A 126 12.044 10.565 -33.271 1.00 64.13 C ATOM 1981 OG SER A 126 12.475 10.865 -31.955 1.00 61.13 O ATOM 0 H SER A 126 10.773 10.918 -35.416 1.00 71.13 H new ATOM 0 HA SER A 126 12.244 12.673 -33.627 1.00 14.02 H new ATOM 0 HB2 SER A 126 10.986 10.304 -33.260 1.00 64.13 H new ATOM 0 HB3 SER A 126 12.583 9.694 -33.644 1.00 64.13 H new ATOM 0 HG SER A 126 12.317 10.091 -31.375 1.00 61.13 H new ATOM 1987 N GLN A 127 13.760 10.697 -35.805 1.00 73.23 N ATOM 1988 CA GLN A 127 15.017 10.482 -36.514 1.00 52.04 C ATOM 1989 C GLN A 127 16.126 10.082 -35.547 1.00 20.10 C ATOM 1990 O GLN A 127 16.724 10.931 -34.885 1.00 32.34 O ATOM 1991 CB GLN A 127 15.419 11.746 -37.276 1.00 55.24 C ATOM 1992 CG GLN A 127 15.479 11.555 -38.782 1.00 5.44 C ATOM 1993 CD GLN A 127 16.761 12.090 -39.388 1.00 11.21 C ATOM 1994 OE1 GLN A 127 17.852 11.861 -38.865 1.00 23.41 O ATOM 1995 NE2 GLN A 127 16.638 12.809 -40.498 1.00 44.21 N ATOM 0 H GLN A 127 13.004 10.074 -36.088 1.00 73.23 H new ATOM 0 HA GLN A 127 14.870 9.669 -37.225 1.00 52.04 H new ATOM 0 HB2 GLN A 127 14.708 12.540 -37.047 1.00 55.24 H new ATOM 0 HB3 GLN A 127 16.394 12.079 -36.921 1.00 55.24 H new ATOM 0 HG2 GLN A 127 15.387 10.494 -39.014 1.00 5.44 H new ATOM 0 HG3 GLN A 127 14.627 12.056 -39.242 1.00 5.44 H new ATOM 0 HE21 GLN A 127 15.715 12.975 -40.898 1.00 44.21 H new ATOM 0 HE22 GLN A 127 17.467 13.195 -40.950 1.00 44.21 H new ATOM 2004 N VAL A 128 16.397 8.782 -35.468 1.00 4.54 N ATOM 2005 CA VAL A 128 17.435 8.270 -34.583 1.00 42.04 C ATOM 2006 C VAL A 128 17.977 6.936 -35.086 1.00 3.40 C ATOM 2007 O VAL A 128 17.220 6.078 -35.539 1.00 13.54 O ATOM 2008 CB VAL A 128 16.908 8.088 -33.147 1.00 73.22 C ATOM 2009 CG1 VAL A 128 15.755 7.096 -33.122 1.00 35.41 C ATOM 2010 CG2 VAL A 128 18.028 7.639 -32.222 1.00 53.43 C ATOM 0 H VAL A 128 15.911 8.065 -36.007 1.00 4.54 H new ATOM 0 HA VAL A 128 18.238 9.007 -34.577 1.00 42.04 H new ATOM 0 HB VAL A 128 16.536 9.049 -32.791 1.00 73.22 H new ATOM 0 HG11 VAL A 128 15.396 6.981 -32.099 1.00 35.41 H new ATOM 0 HG12 VAL A 128 14.945 7.464 -33.751 1.00 35.41 H new ATOM 0 HG13 VAL A 128 16.097 6.131 -33.497 1.00 35.41 H new ATOM 0 HG21 VAL A 128 17.638 7.515 -31.212 1.00 53.43 H new ATOM 0 HG22 VAL A 128 18.432 6.690 -32.574 1.00 53.43 H new ATOM 0 HG23 VAL A 128 18.818 8.390 -32.216 1.00 53.43 H new ATOM 2020 N SER A 129 19.292 6.770 -35.003 1.00 34.30 N ATOM 2021 CA SER A 129 19.938 5.541 -35.452 1.00 3.54 C ATOM 2022 C SER A 129 19.945 4.494 -34.344 1.00 52.12 C ATOM 2023 O SER A 129 20.616 4.659 -33.325 1.00 20.34 O ATOM 2024 CB SER A 129 21.370 5.830 -35.907 1.00 3.21 C ATOM 2025 OG SER A 129 22.088 4.628 -36.123 1.00 71.45 O ATOM 0 H SER A 129 19.932 7.471 -34.629 1.00 34.30 H new ATOM 0 HA SER A 129 19.369 5.148 -36.294 1.00 3.54 H new ATOM 0 HB2 SER A 129 21.352 6.417 -36.826 1.00 3.21 H new ATOM 0 HB3 SER A 129 21.880 6.432 -35.155 1.00 3.21 H new ATOM 0 HG SER A 129 22.999 4.839 -36.414 1.00 71.45 H new ATOM 2031 N GLN A 130 19.194 3.417 -34.550 1.00 15.12 N ATOM 2032 CA GLN A 130 19.113 2.343 -33.569 1.00 43.15 C ATOM 2033 C GLN A 130 19.416 0.994 -34.211 1.00 25.23 C ATOM 2034 O GLN A 130 18.963 0.707 -35.318 1.00 5.53 O ATOM 2035 CB GLN A 130 17.726 2.315 -32.924 1.00 10.23 C ATOM 2036 CG GLN A 130 17.757 2.096 -31.421 1.00 54.35 C ATOM 2037 CD GLN A 130 16.746 2.953 -30.685 1.00 65.24 C ATOM 2038 OE1 GLN A 130 15.575 2.590 -30.569 1.00 62.40 O ATOM 2039 NE2 GLN A 130 17.193 4.098 -30.183 1.00 73.35 N ATOM 0 H GLN A 130 18.633 3.266 -35.388 1.00 15.12 H new ATOM 0 HA GLN A 130 19.860 2.533 -32.798 1.00 43.15 H new ATOM 0 HB2 GLN A 130 17.218 3.256 -33.135 1.00 10.23 H new ATOM 0 HB3 GLN A 130 17.136 1.523 -33.386 1.00 10.23 H new ATOM 0 HG2 GLN A 130 17.561 1.045 -31.207 1.00 54.35 H new ATOM 0 HG3 GLN A 130 18.756 2.317 -31.046 1.00 54.35 H new ATOM 0 HE21 GLN A 130 18.172 4.360 -30.302 1.00 73.35 H new ATOM 0 HE22 GLN A 130 16.558 4.716 -29.678 1.00 73.35 H new ATOM 2048 N ASN A 131 20.185 0.168 -33.509 1.00 72.24 N ATOM 2049 CA ASN A 131 20.549 -1.151 -34.013 1.00 75.45 C ATOM 2050 C ASN A 131 21.202 -1.990 -32.918 1.00 74.30 C ATOM 2051 O ASN A 131 22.355 -2.404 -33.044 1.00 22.33 O ATOM 2052 CB ASN A 131 21.498 -1.021 -35.205 1.00 1.44 C ATOM 2053 CG ASN A 131 21.839 -2.364 -35.822 1.00 72.31 C ATOM 2054 OD1 ASN A 131 20.953 -3.129 -36.201 1.00 30.05 O ATOM 2055 ND2 ASN A 131 23.131 -2.657 -35.924 1.00 14.42 N ATOM 0 H ASN A 131 20.568 0.389 -32.590 1.00 72.24 H new ATOM 0 HA ASN A 131 19.637 -1.653 -34.337 1.00 75.45 H new ATOM 0 HB2 ASN A 131 21.042 -0.382 -35.961 1.00 1.44 H new ATOM 0 HB3 ASN A 131 22.416 -0.529 -34.883 1.00 1.44 H new ATOM 0 HD21 ASN A 131 23.422 -3.547 -36.330 1.00 14.42 H new ATOM 0 HD22 ASN A 131 23.832 -1.992 -35.597 1.00 14.42 H new ATOM 2062 N TYR A 132 20.459 -2.235 -31.845 1.00 74.23 N ATOM 2063 CA TYR A 132 20.966 -3.023 -30.728 1.00 70.22 C ATOM 2064 C TYR A 132 19.888 -3.218 -29.666 1.00 60.34 C ATOM 2065 O TYR A 132 19.303 -4.294 -29.553 1.00 53.12 O ATOM 2066 CB TYR A 132 22.189 -2.342 -30.110 1.00 13.44 C ATOM 2067 CG TYR A 132 23.468 -3.130 -30.274 1.00 61.31 C ATOM 2068 CD1 TYR A 132 23.556 -4.447 -29.840 1.00 34.34 C ATOM 2069 CD2 TYR A 132 24.589 -2.558 -30.863 1.00 70.23 C ATOM 2070 CE1 TYR A 132 24.723 -5.171 -29.988 1.00 54.04 C ATOM 2071 CE2 TYR A 132 25.761 -3.275 -31.016 1.00 61.10 C ATOM 2072 CZ TYR A 132 25.823 -4.582 -30.575 1.00 3.44 C ATOM 2073 OH TYR A 132 26.987 -5.300 -30.725 1.00 14.31 O ATOM 0 H TYR A 132 19.503 -1.899 -31.725 1.00 74.23 H new ATOM 0 HA TYR A 132 21.257 -4.002 -31.109 1.00 70.22 H new ATOM 0 HB2 TYR A 132 22.316 -1.360 -30.565 1.00 13.44 H new ATOM 0 HB3 TYR A 132 22.006 -2.180 -29.048 1.00 13.44 H new ATOM 0 HD1 TYR A 132 22.697 -4.913 -29.379 1.00 34.34 H new ATOM 0 HD2 TYR A 132 24.544 -1.535 -31.207 1.00 70.23 H new ATOM 0 HE1 TYR A 132 24.774 -6.194 -29.645 1.00 54.04 H new ATOM 0 HE2 TYR A 132 26.623 -2.816 -31.478 1.00 61.10 H new ATOM 0 HH TYR A 132 27.664 -4.739 -31.157 1.00 14.31 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 -0.868 11.719 7.261 1.00 71.12 C HETATM 2085 O1 MYR A 1 0.034 10.922 7.010 1.00 21.42 O HETATM 2086 C2 MYR A 1 -1.597 12.385 6.094 1.00 31.45 C HETATM 2087 C3 MYR A 1 -2.647 11.487 5.397 1.00 35.55 C HETATM 2088 C4 MYR A 1 -2.006 10.547 4.358 1.00 4.31 C HETATM 2089 C5 MYR A 1 -2.977 9.443 3.899 1.00 24.12 C HETATM 2090 C6 MYR A 1 -2.495 8.740 2.615 1.00 75.23 C HETATM 2091 C7 MYR A 1 -1.572 7.545 2.917 1.00 73.55 C HETATM 2092 C8 MYR A 1 -1.967 6.287 2.121 1.00 4.22 C HETATM 2093 C9 MYR A 1 -2.013 5.027 3.006 1.00 50.43 C HETATM 2094 C10 MYR A 1 -2.358 3.758 2.200 1.00 3.43 C HETATM 2095 C11 MYR A 1 -1.581 3.617 0.875 1.00 31.33 C HETATM 2096 C12 MYR A 1 -1.503 2.174 0.335 1.00 63.23 C HETATM 2097 C13 MYR A 1 -0.085 1.804 -0.135 1.00 33.10 C HETATM 2098 C14 MYR A 1 0.062 0.294 -0.371 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.141 -0.241 0.557 1.00 14.12 H new HETATM 0 H142 MYR A 1 -0.646 -0.025 -1.136 1.00 14.12 H new HETATM 0 H141 MYR A 1 1.077 0.075 -0.702 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.144 2.340 -1.056 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.641 2.128 0.611 1.00 33.10 H new HETATM 0 H122 MYR A 1 -1.819 1.479 1.113 1.00 63.23 H new HETATM 0 H121 MYR A 1 -2.200 2.061 -0.495 1.00 63.23 H new HETATM 0 H112 MYR A 1 -2.052 4.249 0.122 1.00 31.33 H new HETATM 0 H111 MYR A 1 -0.568 3.994 1.019 1.00 31.33 H new HETATM 0 H102 MYR A 1 -2.159 2.883 2.819 1.00 3.43 H new HETATM 0 H101 MYR A 1 -3.426 3.759 1.983 1.00 3.43 H new HETATM 0 H92 MYR A 1 -1.048 4.893 3.494 1.00 50.43 H new HETATM 0 H91 MYR A 1 -2.753 5.166 3.794 1.00 50.43 H new HETATM 0 H82 MYR A 1 -2.943 6.442 1.662 1.00 4.22 H new HETATM 0 H81 MYR A 1 -1.254 6.134 1.311 1.00 4.22 H new HETATM 0 H72 MYR A 1 -0.543 7.814 2.680 1.00 73.55 H new HETATM 0 H71 MYR A 1 -1.606 7.323 3.984 1.00 73.55 H new HETATM 0 H62 MYR A 1 -3.358 8.395 2.046 1.00 75.23 H new HETATM 0 H61 MYR A 1 -1.965 9.457 1.988 1.00 75.23 H new HETATM 0 H52 MYR A 1 -3.089 8.706 4.694 1.00 24.12 H new HETATM 0 H51 MYR A 1 -3.962 9.877 3.726 1.00 24.12 H new HETATM 0 H42 MYR A 1 -1.684 11.128 3.494 1.00 4.31 H new HETATM 0 H41 MYR A 1 -1.114 10.090 4.785 1.00 4.31 H new HETATM 0 H32 MYR A 1 -3.172 10.895 6.146 1.00 35.55 H new HETATM 0 H31 MYR A 1 -3.392 12.114 4.907 1.00 35.55 H new HETATM 0 H22 MYR A 1 -2.092 13.286 6.458 1.00 31.45 H new HETATM 0 H21 MYR A 1 -0.861 12.702 5.355 1.00 31.45 H new