USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1079 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 155:sc= 0.291 USER MOD Set 1.2: A 97 THR OG1 : rot 105:sc= 1.86 USER MOD Set 2.1: A 54 SER OG : rot -140:sc= 0.0944 USER MOD Set 2.2: A 86 TYR OH : rot -146:sc= 0.11 USER MOD Set 2.3: A 90 GLN : amide:sc= -0.543 K(o=-0.34,f=-6.7!) 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+ -144:sc= -0.0468 (180deg=-1.85!) 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= 0.514 K(o=0.51,f=-0.043) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00107) USER MOD Single : A 33 HIS : no HD1:sc= 0.113 K(o=0.11,f=-5.7!) USER MOD Single : A 38 SER OG : rot 158:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.423 USER MOD Single : A 57 CYS SG : rot 130:sc= -0.714 USER MOD Single : A 59 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.5) USER MOD Single : A 63 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.24) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 94:sc= 0.148 USER MOD Single : A 69 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.88) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.098 USER MOD Single : A 77 SER OG : rot 142:sc= 0.332 USER MOD Single : A 79 TYR OH : rot 130:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.952 K(o=-0.95,f=-4!) USER MOD Single : A 81 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 87 CYS SG : rot -63:sc= 1.01 USER MOD Single : A 89 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-2.3) 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= -0.364 K(o=-0.36,f=-3.9!) 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+ -179:sc= 0 (180deg=-0.00063) 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) USER MOD Single : A 117 GLN : amide:sc=-0.00251 K(o=-0.0025,f=-0.58) USER MOD Single : A 122 THR OG1 : rot -21:sc= 0.959 USER MOD Single : A 124 ASN : amide:sc= 0.00248 K(o=0.0025,f=-2.4!) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc=-0.00534 K(o=-0.0053,f=-1.5) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0537 K(o=-0.054,f=-0.93) USER MOD Single : A 131 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.71) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 5.019 14.433 0.129 1.00 40.13 N ATOM 2 CA GLY A 2 3.787 15.196 0.221 1.00 75.23 C ATOM 3 C GLY A 2 3.144 15.424 -1.133 1.00 40.03 C ATOM 4 O GLY A 2 2.159 16.153 -1.244 1.00 62.14 O ATOM 0 HA2 GLY A 2 3.085 14.671 0.869 1.00 75.23 H new ATOM 0 HA3 GLY A 2 3.993 16.159 0.689 1.00 75.23 H new ATOM 8 N ALA A 3 3.703 14.800 -2.164 1.00 21.13 N ATOM 9 CA ALA A 3 3.177 14.939 -3.517 1.00 71.10 C ATOM 10 C ALA A 3 2.384 13.703 -3.927 1.00 41.01 C ATOM 11 O ALA A 3 2.510 12.642 -3.315 1.00 32.42 O ATOM 12 CB ALA A 3 4.311 15.191 -4.500 1.00 42.00 C ATOM 0 H ALA A 3 4.520 14.193 -2.089 1.00 21.13 H new ATOM 0 HA ALA A 3 2.501 15.794 -3.532 1.00 71.10 H new ATOM 0 HB1 ALA A 3 3.904 15.293 -5.506 1.00 42.00 H new ATOM 0 HB2 ALA A 3 4.834 16.107 -4.225 1.00 42.00 H new ATOM 0 HB3 ALA A 3 5.008 14.354 -4.473 1.00 42.00 H new ATOM 18 N ARG A 4 1.566 13.848 -4.964 1.00 21.12 N ATOM 19 CA ARG A 4 0.751 12.743 -5.454 1.00 43.33 C ATOM 20 C ARG A 4 1.612 11.518 -5.746 1.00 55.34 C ATOM 21 O ARG A 4 1.151 10.382 -5.636 1.00 11.21 O ATOM 22 CB ARG A 4 -0.005 13.160 -6.717 1.00 62.21 C ATOM 23 CG ARG A 4 -1.308 13.891 -6.434 1.00 1.33 C ATOM 24 CD ARG A 4 -1.859 14.552 -7.687 1.00 21.23 C ATOM 25 NE ARG A 4 -3.229 15.023 -7.502 1.00 51.15 N ATOM 26 CZ ARG A 4 -3.922 15.658 -8.440 1.00 45.11 C ATOM 27 NH1 ARG A 4 -3.376 15.896 -9.624 1.00 2.20 N ATOM 28 NH2 ARG A 4 -5.164 16.055 -8.194 1.00 23.01 N ATOM 0 H ARG A 4 1.450 14.720 -5.481 1.00 21.12 H new ATOM 0 HA ARG A 4 0.032 12.483 -4.677 1.00 43.33 H new ATOM 0 HB2 ARG A 4 0.638 13.801 -7.320 1.00 62.21 H new ATOM 0 HB3 ARG A 4 -0.218 12.272 -7.312 1.00 62.21 H new ATOM 0 HG2 ARG A 4 -2.042 13.189 -6.039 1.00 1.33 H new ATOM 0 HG3 ARG A 4 -1.143 14.646 -5.665 1.00 1.33 H new ATOM 0 HD2 ARG A 4 -1.222 15.392 -7.964 1.00 21.23 H new ATOM 0 HD3 ARG A 4 -1.828 13.843 -8.514 1.00 21.23 H new ATOM 0 HE ARG A 4 -3.679 14.855 -6.602 1.00 51.15 H new ATOM 0 HH11 ARG A 4 -2.422 15.591 -9.816 1.00 2.20 H new ATOM 0 HH12 ARG A 4 -3.910 16.384 -10.343 1.00 2.20 H new ATOM 0 HH21 ARG A 4 -5.587 15.872 -7.284 1.00 23.01 H new ATOM 0 HH22 ARG A 4 -5.696 16.543 -8.915 1.00 23.01 H new ATOM 42 N ALA A 5 2.865 11.758 -6.117 1.00 35.30 N ATOM 43 CA ALA A 5 3.793 10.675 -6.422 1.00 2.14 C ATOM 44 C ALA A 5 3.879 9.685 -5.266 1.00 35.34 C ATOM 45 O ALA A 5 3.561 10.018 -4.125 1.00 51.41 O ATOM 46 CB ALA A 5 5.169 11.234 -6.745 1.00 13.00 C ATOM 0 H ALA A 5 3.261 12.693 -6.214 1.00 35.30 H new ATOM 0 HA ALA A 5 3.417 10.142 -7.295 1.00 2.14 H new ATOM 0 HB1 ALA A 5 5.851 10.414 -6.971 1.00 13.00 H new ATOM 0 HB2 ALA A 5 5.099 11.896 -7.608 1.00 13.00 H new ATOM 0 HB3 ALA A 5 5.545 11.793 -5.888 1.00 13.00 H new ATOM 52 N SER A 6 4.312 8.464 -5.569 1.00 11.43 N ATOM 53 CA SER A 6 4.436 7.424 -4.556 1.00 54.54 C ATOM 54 C SER A 6 5.874 7.325 -4.052 1.00 62.23 C ATOM 55 O SER A 6 6.746 8.083 -4.477 1.00 5.24 O ATOM 56 CB SER A 6 3.989 6.075 -5.121 1.00 61.13 C ATOM 57 OG SER A 6 2.864 6.226 -5.970 1.00 34.10 O ATOM 0 H SER A 6 4.582 8.172 -6.508 1.00 11.43 H new ATOM 0 HA SER A 6 3.792 7.690 -3.718 1.00 54.54 H new ATOM 0 HB2 SER A 6 4.809 5.620 -5.676 1.00 61.13 H new ATOM 0 HB3 SER A 6 3.743 5.398 -4.303 1.00 61.13 H new ATOM 0 HG SER A 6 2.598 5.350 -6.320 1.00 34.10 H new ATOM 63 N ARG A 7 6.112 6.385 -3.143 1.00 51.34 N ATOM 64 CA ARG A 7 7.442 6.188 -2.579 1.00 0.04 C ATOM 65 C ARG A 7 7.985 4.808 -2.939 1.00 20.32 C ATOM 66 O ARG A 7 9.192 4.568 -2.875 1.00 63.34 O ATOM 67 CB ARG A 7 7.405 6.352 -1.058 1.00 33.05 C ATOM 68 CG ARG A 7 8.005 7.661 -0.572 1.00 4.23 C ATOM 69 CD ARG A 7 9.257 7.427 0.258 1.00 24.53 C ATOM 70 NE ARG A 7 10.334 8.342 -0.105 1.00 31.34 N ATOM 71 CZ ARG A 7 10.423 9.588 0.344 1.00 1.02 C ATOM 72 NH1 ARG A 7 9.502 10.065 1.170 1.00 12.12 N ATOM 73 NH2 ARG A 7 11.434 10.361 -0.033 1.00 62.42 N ATOM 0 H ARG A 7 5.402 5.748 -2.782 1.00 51.34 H new ATOM 0 HA ARG A 7 8.104 6.943 -3.002 1.00 0.04 H new ATOM 0 HB2 ARG A 7 6.371 6.288 -0.719 1.00 33.05 H new ATOM 0 HB3 ARG A 7 7.943 5.523 -0.598 1.00 33.05 H new ATOM 0 HG2 ARG A 7 8.247 8.291 -1.428 1.00 4.23 H new ATOM 0 HG3 ARG A 7 7.269 8.201 0.023 1.00 4.23 H new ATOM 0 HD2 ARG A 7 9.019 7.549 1.315 1.00 24.53 H new ATOM 0 HD3 ARG A 7 9.594 6.399 0.123 1.00 24.53 H new ATOM 0 HE ARG A 7 11.059 8.006 -0.739 1.00 31.34 H new ATOM 0 HH11 ARG A 7 8.723 9.474 1.462 1.00 12.12 H new ATOM 0 HH12 ARG A 7 9.572 11.023 1.514 1.00 12.12 H new ATOM 0 HH21 ARG A 7 12.144 9.998 -0.669 1.00 62.42 H new ATOM 0 HH22 ARG A 7 11.501 11.318 0.313 1.00 62.42 H new ATOM 87 N LEU A 8 7.087 3.905 -3.319 1.00 14.32 N ATOM 88 CA LEU A 8 7.476 2.549 -3.689 1.00 31.23 C ATOM 89 C LEU A 8 7.963 2.498 -5.134 1.00 71.50 C ATOM 90 O LEU A 8 7.747 3.432 -5.906 1.00 72.54 O ATOM 91 CB LEU A 8 6.298 1.591 -3.502 1.00 61.41 C ATOM 92 CG LEU A 8 5.529 1.722 -2.186 1.00 75.40 C ATOM 93 CD1 LEU A 8 4.490 0.618 -2.064 1.00 12.42 C ATOM 94 CD2 LEU A 8 6.486 1.689 -1.004 1.00 34.32 C ATOM 0 H LEU A 8 6.085 4.088 -3.379 1.00 14.32 H new ATOM 0 HA LEU A 8 8.294 2.241 -3.038 1.00 31.23 H new ATOM 0 HB2 LEU A 8 5.599 1.741 -4.325 1.00 61.41 H new ATOM 0 HB3 LEU A 8 6.670 0.570 -3.582 1.00 61.41 H new ATOM 0 HG LEU A 8 5.012 2.682 -2.183 1.00 75.40 H new ATOM 0 HD11 LEU A 8 3.953 0.727 -1.122 1.00 12.42 H new ATOM 0 HD12 LEU A 8 3.786 0.687 -2.893 1.00 12.42 H new ATOM 0 HD13 LEU A 8 4.986 -0.352 -2.089 1.00 12.42 H new ATOM 0 HD21 LEU A 8 5.922 1.783 -0.076 1.00 34.32 H new ATOM 0 HD22 LEU A 8 7.031 0.745 -1.003 1.00 34.32 H new ATOM 0 HD23 LEU A 8 7.192 2.515 -1.085 1.00 34.32 H new ATOM 106 N SER A 9 8.620 1.399 -5.493 1.00 64.22 N ATOM 107 CA SER A 9 9.138 1.225 -6.844 1.00 75.00 C ATOM 108 C SER A 9 9.001 -0.225 -7.297 1.00 15.11 C ATOM 109 O SER A 9 8.387 -1.045 -6.615 1.00 14.54 O ATOM 110 CB SER A 9 10.605 1.655 -6.909 1.00 2.54 C ATOM 111 OG SER A 9 10.788 2.932 -6.322 1.00 41.21 O ATOM 0 H SER A 9 8.806 0.616 -4.866 1.00 64.22 H new ATOM 0 HA SER A 9 8.552 1.853 -7.515 1.00 75.00 H new ATOM 0 HB2 SER A 9 11.225 0.922 -6.393 1.00 2.54 H new ATOM 0 HB3 SER A 9 10.935 1.678 -7.948 1.00 2.54 H new ATOM 0 HG SER A 9 11.734 3.184 -6.375 1.00 41.21 H new ATOM 117 N GLY A 10 9.580 -0.535 -8.454 1.00 73.12 N ATOM 118 CA GLY A 10 9.512 -1.885 -8.979 1.00 33.40 C ATOM 119 C GLY A 10 9.838 -2.933 -7.932 1.00 10.40 C ATOM 120 O GLY A 10 9.145 -3.943 -7.817 1.00 4.43 O ATOM 0 H GLY A 10 10.095 0.126 -9.036 1.00 73.12 H new ATOM 0 HA2 GLY A 10 8.512 -2.068 -9.373 1.00 33.40 H new ATOM 0 HA3 GLY A 10 10.206 -1.982 -9.814 1.00 33.40 H new ATOM 124 N GLY A 11 10.898 -2.692 -7.166 1.00 3.40 N ATOM 125 CA GLY A 11 11.296 -3.631 -6.134 1.00 15.02 C ATOM 126 C GLY A 11 10.201 -3.873 -5.116 1.00 40.30 C ATOM 127 O GLY A 11 9.771 -5.008 -4.915 1.00 33.02 O ATOM 0 H GLY A 11 11.488 -1.863 -7.242 1.00 3.40 H new ATOM 0 HA2 GLY A 11 11.573 -4.578 -6.597 1.00 15.02 H new ATOM 0 HA3 GLY A 11 12.183 -3.253 -5.626 1.00 15.02 H new ATOM 131 N GLU A 12 9.749 -2.802 -4.470 1.00 53.41 N ATOM 132 CA GLU A 12 8.698 -2.905 -3.464 1.00 4.11 C ATOM 133 C GLU A 12 7.389 -3.377 -4.091 1.00 31.10 C ATOM 134 O GLU A 12 6.491 -3.855 -3.395 1.00 11.43 O ATOM 135 CB GLU A 12 8.488 -1.556 -2.774 1.00 44.14 C ATOM 136 CG GLU A 12 8.793 -1.579 -1.286 1.00 14.42 C ATOM 137 CD GLU A 12 10.023 -0.764 -0.930 1.00 50.01 C ATOM 138 OE1 GLU A 12 11.097 -1.028 -1.511 1.00 4.10 O ATOM 139 OE2 GLU A 12 9.911 0.135 -0.071 1.00 24.25 O ATOM 0 H GLU A 12 10.094 -1.855 -4.625 1.00 53.41 H new ATOM 0 HA GLU A 12 9.011 -3.640 -2.722 1.00 4.11 H new ATOM 0 HB2 GLU A 12 9.121 -0.809 -3.254 1.00 44.14 H new ATOM 0 HB3 GLU A 12 7.455 -1.240 -2.920 1.00 44.14 H new ATOM 0 HG2 GLU A 12 7.934 -1.193 -0.737 1.00 14.42 H new ATOM 0 HG3 GLU A 12 8.939 -2.610 -0.965 1.00 14.42 H new ATOM 146 N LEU A 13 7.289 -3.241 -5.408 1.00 62.20 N ATOM 147 CA LEU A 13 6.090 -3.653 -6.130 1.00 34.22 C ATOM 148 C LEU A 13 5.955 -5.172 -6.139 1.00 31.42 C ATOM 149 O LEU A 13 4.861 -5.710 -5.972 1.00 64.12 O ATOM 150 CB LEU A 13 6.128 -3.125 -7.565 1.00 14.00 C ATOM 151 CG LEU A 13 4.798 -3.136 -8.321 1.00 53.54 C ATOM 152 CD1 LEU A 13 3.833 -2.129 -7.716 1.00 10.01 C ATOM 153 CD2 LEU A 13 5.021 -2.844 -9.797 1.00 12.33 C ATOM 0 H LEU A 13 8.023 -2.849 -5.998 1.00 62.20 H new ATOM 0 HA LEU A 13 5.225 -3.233 -5.617 1.00 34.22 H new ATOM 0 HB2 LEU A 13 6.503 -2.102 -7.544 1.00 14.00 H new ATOM 0 HB3 LEU A 13 6.849 -3.717 -8.129 1.00 14.00 H new ATOM 0 HG LEU A 13 4.358 -4.129 -8.231 1.00 53.54 H new ATOM 0 HD11 LEU A 13 2.892 -2.150 -8.266 1.00 10.01 H new ATOM 0 HD12 LEU A 13 3.649 -2.383 -6.672 1.00 10.01 H new ATOM 0 HD13 LEU A 13 4.265 -1.130 -7.775 1.00 10.01 H new ATOM 0 HD21 LEU A 13 4.064 -2.856 -10.319 1.00 12.33 H new ATOM 0 HD22 LEU A 13 5.483 -1.863 -9.908 1.00 12.33 H new ATOM 0 HD23 LEU A 13 5.676 -3.604 -10.223 1.00 12.33 H new ATOM 165 N ASP A 14 7.075 -5.860 -6.335 1.00 75.10 N ATOM 166 CA ASP A 14 7.083 -7.318 -6.363 1.00 71.12 C ATOM 167 C ASP A 14 6.352 -7.888 -5.152 1.00 13.20 C ATOM 168 O ASP A 14 5.594 -8.852 -5.267 1.00 5.35 O ATOM 169 CB ASP A 14 8.520 -7.841 -6.400 1.00 42.13 C ATOM 170 CG ASP A 14 8.790 -8.706 -7.614 1.00 23.32 C ATOM 171 OD1 ASP A 14 8.350 -9.875 -7.620 1.00 43.10 O ATOM 172 OD2 ASP A 14 9.441 -8.215 -8.560 1.00 1.14 O ATOM 0 H ASP A 14 7.989 -5.431 -6.477 1.00 75.10 H new ATOM 0 HA ASP A 14 6.564 -7.643 -7.265 1.00 71.12 H new ATOM 0 HB2 ASP A 14 9.211 -6.998 -6.398 1.00 42.13 H new ATOM 0 HB3 ASP A 14 8.717 -8.417 -5.496 1.00 42.13 H new ATOM 177 N LYS A 15 6.585 -7.288 -3.990 1.00 52.21 N ATOM 178 CA LYS A 15 5.950 -7.735 -2.756 1.00 61.13 C ATOM 179 C LYS A 15 4.522 -7.208 -2.657 1.00 12.01 C ATOM 180 O LYS A 15 3.604 -7.940 -2.285 1.00 14.42 O ATOM 181 CB LYS A 15 6.760 -7.271 -1.543 1.00 73.53 C ATOM 182 CG LYS A 15 7.872 -8.230 -1.153 1.00 11.22 C ATOM 183 CD LYS A 15 9.242 -7.655 -1.473 1.00 14.34 C ATOM 184 CE LYS A 15 9.669 -6.625 -0.439 1.00 74.34 C ATOM 185 NZ LYS A 15 11.052 -6.876 0.054 1.00 13.41 N ATOM 0 H LYS A 15 7.210 -6.490 -3.877 1.00 52.21 H new ATOM 0 HA LYS A 15 5.917 -8.824 -2.769 1.00 61.13 H new ATOM 0 HB2 LYS A 15 7.193 -6.294 -1.757 1.00 73.53 H new ATOM 0 HB3 LYS A 15 6.088 -7.143 -0.695 1.00 73.53 H new ATOM 0 HG2 LYS A 15 7.808 -8.449 -0.087 1.00 11.22 H new ATOM 0 HG3 LYS A 15 7.741 -9.175 -1.681 1.00 11.22 H new ATOM 0 HD2 LYS A 15 9.976 -8.460 -1.511 1.00 14.34 H new ATOM 0 HD3 LYS A 15 9.223 -7.194 -2.461 1.00 14.34 H new ATOM 0 HE2 LYS A 15 9.614 -5.628 -0.875 1.00 74.34 H new ATOM 0 HE3 LYS A 15 8.975 -6.644 0.401 1.00 74.34 H new ATOM 0 HZ1 LYS A 15 11.109 -6.637 1.064 1.00 13.41 H new ATOM 0 HZ2 LYS A 15 11.291 -7.880 -0.078 1.00 13.41 H new ATOM 0 HZ3 LYS A 15 11.723 -6.287 -0.480 1.00 13.41 H new ATOM 199 N TRP A 16 4.341 -5.936 -2.994 1.00 74.11 N ATOM 200 CA TRP A 16 3.024 -5.312 -2.945 1.00 53.33 C ATOM 201 C TRP A 16 2.023 -6.086 -3.794 1.00 51.51 C ATOM 202 O TRP A 16 0.859 -6.226 -3.422 1.00 2.02 O ATOM 203 CB TRP A 16 3.106 -3.862 -3.426 1.00 23.01 C ATOM 204 CG TRP A 16 1.765 -3.215 -3.593 1.00 41.30 C ATOM 205 CD1 TRP A 16 1.202 -2.786 -4.761 1.00 2.32 C ATOM 206 CD2 TRP A 16 0.819 -2.923 -2.558 1.00 4.10 C ATOM 207 NE1 TRP A 16 -0.037 -2.244 -4.514 1.00 21.11 N ATOM 208 CE2 TRP A 16 -0.295 -2.317 -3.171 1.00 22.30 C ATOM 209 CE3 TRP A 16 0.804 -3.115 -1.174 1.00 22.42 C ATOM 210 CZ2 TRP A 16 -1.409 -1.903 -2.446 1.00 5.53 C ATOM 211 CZ3 TRP A 16 -0.302 -2.704 -0.456 1.00 45.42 C ATOM 212 CH2 TRP A 16 -1.397 -2.104 -1.092 1.00 11.10 C ATOM 0 H TRP A 16 5.090 -5.317 -3.304 1.00 74.11 H new ATOM 0 HA TRP A 16 2.681 -5.326 -1.910 1.00 53.33 H new ATOM 0 HB2 TRP A 16 3.694 -3.283 -2.714 1.00 23.01 H new ATOM 0 HB3 TRP A 16 3.637 -3.832 -4.377 1.00 23.01 H new ATOM 0 HD1 TRP A 16 1.662 -2.861 -5.735 1.00 2.32 H new ATOM 0 HE1 TRP A 16 -0.663 -1.851 -5.217 1.00 21.11 H new ATOM 0 HE3 TRP A 16 1.643 -3.577 -0.674 1.00 22.42 H new ATOM 0 HZ2 TRP A 16 -2.253 -1.439 -2.935 1.00 5.53 H new ATOM 0 HZ3 TRP A 16 -0.323 -2.848 0.614 1.00 45.42 H new ATOM 0 HH2 TRP A 16 -2.248 -1.794 -0.503 1.00 11.10 H new ATOM 223 N GLU A 17 2.484 -6.587 -4.936 1.00 65.01 N ATOM 224 CA GLU A 17 1.626 -7.347 -5.838 1.00 53.40 C ATOM 225 C GLU A 17 1.572 -8.816 -5.428 1.00 4.40 C ATOM 226 O GLU A 17 0.824 -9.606 -6.004 1.00 11.32 O ATOM 227 CB GLU A 17 2.129 -7.226 -7.278 1.00 4.25 C ATOM 228 CG GLU A 17 1.934 -5.843 -7.877 1.00 53.10 C ATOM 229 CD GLU A 17 1.765 -5.877 -9.383 1.00 21.33 C ATOM 230 OE1 GLU A 17 2.252 -6.841 -10.012 1.00 2.44 O ATOM 231 OE2 GLU A 17 1.146 -4.943 -9.933 1.00 42.12 O ATOM 0 H GLU A 17 3.446 -6.480 -5.258 1.00 65.01 H new ATOM 0 HA GLU A 17 0.619 -6.933 -5.776 1.00 53.40 H new ATOM 0 HB2 GLU A 17 3.189 -7.479 -7.306 1.00 4.25 H new ATOM 0 HB3 GLU A 17 1.610 -7.958 -7.898 1.00 4.25 H new ATOM 0 HG2 GLU A 17 1.057 -5.377 -7.427 1.00 53.10 H new ATOM 0 HG3 GLU A 17 2.791 -5.218 -7.626 1.00 53.10 H new ATOM 238 N LYS A 18 2.371 -9.174 -4.429 1.00 62.52 N ATOM 239 CA LYS A 18 2.415 -10.547 -3.940 1.00 70.54 C ATOM 240 C LYS A 18 1.248 -10.827 -2.998 1.00 10.05 C ATOM 241 O LYS A 18 0.889 -11.983 -2.766 1.00 52.45 O ATOM 242 CB LYS A 18 3.739 -10.812 -3.219 1.00 51.52 C ATOM 243 CG LYS A 18 4.037 -12.287 -3.017 1.00 74.32 C ATOM 244 CD LYS A 18 5.447 -12.503 -2.492 1.00 72.43 C ATOM 245 CE LYS A 18 5.930 -13.921 -2.759 1.00 63.43 C ATOM 246 NZ LYS A 18 6.638 -14.029 -4.064 1.00 34.35 N ATOM 0 H LYS A 18 2.997 -8.533 -3.942 1.00 62.52 H new ATOM 0 HA LYS A 18 2.335 -11.214 -4.799 1.00 70.54 H new ATOM 0 HB2 LYS A 18 4.551 -10.361 -3.790 1.00 51.52 H new ATOM 0 HB3 LYS A 18 3.719 -10.318 -2.248 1.00 51.52 H new ATOM 0 HG2 LYS A 18 3.318 -12.712 -2.317 1.00 74.32 H new ATOM 0 HG3 LYS A 18 3.914 -12.817 -3.962 1.00 74.32 H new ATOM 0 HD2 LYS A 18 6.125 -11.792 -2.964 1.00 72.43 H new ATOM 0 HD3 LYS A 18 5.472 -12.305 -1.420 1.00 72.43 H new ATOM 0 HE2 LYS A 18 6.598 -14.234 -1.957 1.00 63.43 H new ATOM 0 HE3 LYS A 18 5.079 -14.602 -2.750 1.00 63.43 H new ATOM 0 HZ1 LYS A 18 6.951 -15.010 -4.209 1.00 34.35 H new ATOM 0 HZ2 LYS A 18 5.993 -13.754 -4.832 1.00 34.35 H new ATOM 0 HZ3 LYS A 18 7.465 -13.398 -4.064 1.00 34.35 H new ATOM 260 N ILE A 19 0.658 -9.764 -2.461 1.00 21.33 N ATOM 261 CA ILE A 19 -0.470 -9.897 -1.548 1.00 51.11 C ATOM 262 C ILE A 19 -1.782 -10.043 -2.312 1.00 73.42 C ATOM 263 O ILE A 19 -2.095 -9.237 -3.188 1.00 34.10 O ATOM 264 CB ILE A 19 -0.573 -8.686 -0.601 1.00 72.32 C ATOM 265 CG1 ILE A 19 0.739 -8.495 0.162 1.00 52.33 C ATOM 266 CG2 ILE A 19 -1.733 -8.868 0.366 1.00 44.31 C ATOM 267 CD1 ILE A 19 1.561 -7.326 -0.334 1.00 72.22 C ATOM 0 H ILE A 19 0.943 -8.802 -2.643 1.00 21.33 H new ATOM 0 HA ILE A 19 -0.294 -10.796 -0.958 1.00 51.11 H new ATOM 0 HB ILE A 19 -0.758 -7.792 -1.196 1.00 72.32 H new ATOM 0 HG12 ILE A 19 0.517 -8.350 1.219 1.00 52.33 H new ATOM 0 HG13 ILE A 19 1.332 -9.406 0.082 1.00 52.33 H new ATOM 0 HG21 ILE A 19 -1.793 -8.005 1.029 1.00 44.31 H new ATOM 0 HG22 ILE A 19 -2.663 -8.961 -0.195 1.00 44.31 H new ATOM 0 HG23 ILE A 19 -1.575 -9.769 0.958 1.00 44.31 H new ATOM 0 HD11 ILE A 19 2.477 -7.250 0.252 1.00 72.22 H new ATOM 0 HD12 ILE A 19 1.813 -7.478 -1.383 1.00 72.22 H new ATOM 0 HD13 ILE A 19 0.986 -6.406 -0.229 1.00 72.22 H new ATOM 279 N ARG A 20 -2.544 -11.078 -1.972 1.00 2.35 N ATOM 280 CA ARG A 20 -3.823 -11.330 -2.626 1.00 61.31 C ATOM 281 C ARG A 20 -4.954 -10.595 -1.911 1.00 14.24 C ATOM 282 O ARG A 20 -5.048 -10.622 -0.684 1.00 32.32 O ATOM 283 CB ARG A 20 -4.116 -12.831 -2.657 1.00 0.12 C ATOM 284 CG ARG A 20 -3.207 -13.610 -3.594 1.00 32.42 C ATOM 285 CD ARG A 20 -3.105 -15.070 -3.184 1.00 73.50 C ATOM 286 NE ARG A 20 -2.195 -15.819 -4.048 1.00 70.22 N ATOM 287 CZ ARG A 20 -2.057 -17.140 -4.001 1.00 51.44 C ATOM 288 NH1 ARG A 20 -2.765 -17.853 -3.136 1.00 65.32 N ATOM 289 NH2 ARG A 20 -1.209 -17.749 -4.819 1.00 61.13 N ATOM 0 H ARG A 20 -2.299 -11.754 -1.249 1.00 2.35 H new ATOM 0 HA ARG A 20 -3.760 -10.957 -3.648 1.00 61.31 H new ATOM 0 HB2 ARG A 20 -4.015 -13.233 -1.649 1.00 0.12 H new ATOM 0 HB3 ARG A 20 -5.152 -12.984 -2.959 1.00 0.12 H new ATOM 0 HG2 ARG A 20 -3.589 -13.543 -4.613 1.00 32.42 H new ATOM 0 HG3 ARG A 20 -2.214 -13.161 -3.596 1.00 32.42 H new ATOM 0 HD2 ARG A 20 -2.760 -15.133 -2.152 1.00 73.50 H new ATOM 0 HD3 ARG A 20 -4.094 -15.526 -3.218 1.00 73.50 H new ATOM 0 HE ARG A 20 -1.635 -15.300 -4.724 1.00 70.22 H new ATOM 0 HH11 ARG A 20 -3.417 -17.388 -2.505 1.00 65.32 H new ATOM 0 HH12 ARG A 20 -2.657 -18.867 -3.102 1.00 65.32 H new ATOM 0 HH21 ARG A 20 -0.662 -17.203 -5.485 1.00 61.13 H new ATOM 0 HH22 ARG A 20 -1.104 -18.763 -4.782 1.00 61.13 H new ATOM 303 N LEU A 21 -5.808 -9.938 -2.688 1.00 23.41 N ATOM 304 CA LEU A 21 -6.933 -9.195 -2.130 1.00 42.42 C ATOM 305 C LEU A 21 -7.855 -10.117 -1.338 1.00 4.34 C ATOM 306 O LEU A 21 -8.264 -9.793 -0.224 1.00 45.44 O ATOM 307 CB LEU A 21 -7.718 -8.504 -3.247 1.00 74.52 C ATOM 308 CG LEU A 21 -7.134 -7.189 -3.763 1.00 31.24 C ATOM 309 CD1 LEU A 21 -7.801 -6.786 -5.069 1.00 34.23 C ATOM 310 CD2 LEU A 21 -7.290 -6.091 -2.721 1.00 21.01 C ATOM 0 H LEU A 21 -5.743 -9.904 -3.705 1.00 23.41 H new ATOM 0 HA LEU A 21 -6.537 -8.439 -1.452 1.00 42.42 H new ATOM 0 HB2 LEU A 21 -7.802 -9.195 -4.086 1.00 74.52 H new ATOM 0 HB3 LEU A 21 -8.730 -8.313 -2.889 1.00 74.52 H new ATOM 0 HG LEU A 21 -6.070 -7.334 -3.951 1.00 31.24 H new ATOM 0 HD11 LEU A 21 -7.373 -5.848 -5.422 1.00 34.23 H new ATOM 0 HD12 LEU A 21 -7.638 -7.563 -5.816 1.00 34.23 H new ATOM 0 HD13 LEU A 21 -8.871 -6.658 -4.907 1.00 34.23 H new ATOM 0 HD21 LEU A 21 -6.869 -5.162 -3.105 1.00 21.01 H new ATOM 0 HD22 LEU A 21 -8.348 -5.946 -2.501 1.00 21.01 H new ATOM 0 HD23 LEU A 21 -6.766 -6.377 -1.809 1.00 21.01 H new ATOM 322 N ARG A 22 -8.177 -11.266 -1.922 1.00 3.40 N ATOM 323 CA ARG A 22 -9.051 -12.235 -1.270 1.00 31.24 C ATOM 324 C ARG A 22 -8.249 -13.421 -0.743 1.00 3.42 C ATOM 325 O ARG A 22 -7.108 -13.656 -1.139 1.00 13.03 O ATOM 326 CB ARG A 22 -10.122 -12.724 -2.246 1.00 2.34 C ATOM 327 CG ARG A 22 -11.470 -12.045 -2.062 1.00 22.53 C ATOM 328 CD ARG A 22 -12.422 -12.377 -3.201 1.00 52.41 C ATOM 329 NE ARG A 22 -13.819 -12.317 -2.781 1.00 21.15 N ATOM 330 CZ ARG A 22 -14.419 -13.276 -2.085 1.00 33.01 C ATOM 331 NH1 ARG A 22 -13.747 -14.362 -1.731 1.00 30.11 N ATOM 332 NH2 ARG A 22 -15.694 -13.149 -1.740 1.00 31.10 N ATOM 0 H ARG A 22 -7.847 -11.549 -2.845 1.00 3.40 H new ATOM 0 HA ARG A 22 -9.535 -11.742 -0.427 1.00 31.24 H new ATOM 0 HB2 ARG A 22 -9.776 -12.556 -3.266 1.00 2.34 H new ATOM 0 HB3 ARG A 22 -10.247 -13.800 -2.125 1.00 2.34 H new ATOM 0 HG2 ARG A 22 -11.910 -12.359 -1.115 1.00 22.53 H new ATOM 0 HG3 ARG A 22 -11.330 -10.965 -2.006 1.00 22.53 H new ATOM 0 HD2 ARG A 22 -12.260 -11.680 -4.023 1.00 52.41 H new ATOM 0 HD3 ARG A 22 -12.200 -13.375 -3.580 1.00 52.41 H new ATOM 0 HE ARG A 22 -14.364 -11.493 -3.036 1.00 21.15 H new ATOM 0 HH11 ARG A 22 -12.766 -14.463 -1.993 1.00 30.11 H new ATOM 0 HH12 ARG A 22 -14.210 -15.097 -1.196 1.00 30.11 H new ATOM 0 HH21 ARG A 22 -16.214 -12.314 -2.009 1.00 31.10 H new ATOM 0 HH22 ARG A 22 -16.154 -13.886 -1.206 1.00 31.10 H new ATOM 346 N PRO A 23 -8.860 -14.187 0.173 1.00 60.55 N ATOM 347 CA PRO A 23 -8.221 -15.361 0.775 1.00 44.13 C ATOM 348 C PRO A 23 -8.061 -16.507 -0.218 1.00 54.13 C ATOM 349 O PRO A 23 -6.982 -17.085 -0.344 1.00 32.23 O ATOM 350 CB PRO A 23 -9.188 -15.756 1.895 1.00 13.13 C ATOM 351 CG PRO A 23 -10.511 -15.228 1.456 1.00 74.44 C ATOM 352 CD PRO A 23 -10.220 -13.967 0.692 1.00 54.24 C ATOM 0 HA PRO A 23 -7.211 -15.142 1.122 1.00 44.13 H new ATOM 0 HB2 PRO A 23 -9.218 -16.837 2.029 1.00 13.13 H new ATOM 0 HB3 PRO A 23 -8.886 -15.324 2.849 1.00 13.13 H new ATOM 0 HG2 PRO A 23 -11.032 -15.952 0.830 1.00 74.44 H new ATOM 0 HG3 PRO A 23 -11.154 -15.026 2.312 1.00 74.44 H new ATOM 0 HD2 PRO A 23 -10.937 -13.811 -0.114 1.00 54.24 H new ATOM 0 HD3 PRO A 23 -10.267 -13.088 1.335 1.00 54.24 H new ATOM 360 N GLY A 24 -9.141 -16.830 -0.922 1.00 60.14 N ATOM 361 CA GLY A 24 -9.098 -17.905 -1.896 1.00 65.34 C ATOM 362 C GLY A 24 -8.980 -17.395 -3.318 1.00 5.32 C ATOM 363 O GLY A 24 -8.401 -18.057 -4.177 1.00 73.42 O ATOM 0 H GLY A 24 -10.045 -16.366 -0.835 1.00 60.14 H new ATOM 0 HA2 GLY A 24 -8.253 -18.557 -1.676 1.00 65.34 H new ATOM 0 HA3 GLY A 24 -10.000 -18.510 -1.804 1.00 65.34 H new ATOM 367 N GLY A 25 -9.535 -16.213 -3.569 1.00 21.13 N ATOM 368 CA GLY A 25 -9.480 -15.635 -4.899 1.00 24.24 C ATOM 369 C GLY A 25 -8.064 -15.525 -5.426 1.00 20.30 C ATOM 370 O GLY A 25 -7.103 -15.802 -4.708 1.00 13.10 O ATOM 0 H GLY A 25 -10.022 -15.646 -2.875 1.00 21.13 H new ATOM 0 HA2 GLY A 25 -10.072 -16.245 -5.581 1.00 24.24 H new ATOM 0 HA3 GLY A 25 -9.935 -14.645 -4.880 1.00 24.24 H new ATOM 374 N LYS A 26 -7.932 -15.124 -6.686 1.00 54.54 N ATOM 375 CA LYS A 26 -6.622 -14.979 -7.310 1.00 22.43 C ATOM 376 C LYS A 26 -6.297 -13.509 -7.559 1.00 63.52 C ATOM 377 O LYS A 26 -5.360 -13.185 -8.287 1.00 22.04 O ATOM 378 CB LYS A 26 -6.576 -15.753 -8.629 1.00 34.13 C ATOM 379 CG LYS A 26 -5.205 -16.327 -8.950 1.00 44.13 C ATOM 380 CD LYS A 26 -5.074 -17.759 -8.461 1.00 15.24 C ATOM 381 CE LYS A 26 -3.617 -18.139 -8.235 1.00 41.44 C ATOM 382 NZ LYS A 26 -2.860 -18.219 -9.514 1.00 14.32 N ATOM 0 H LYS A 26 -8.717 -14.894 -7.295 1.00 54.54 H new ATOM 0 HA LYS A 26 -5.875 -15.387 -6.629 1.00 22.43 H new ATOM 0 HB2 LYS A 26 -7.301 -16.566 -8.589 1.00 34.13 H new ATOM 0 HB3 LYS A 26 -6.883 -15.092 -9.440 1.00 34.13 H new ATOM 0 HG2 LYS A 26 -5.037 -16.292 -10.026 1.00 44.13 H new ATOM 0 HG3 LYS A 26 -4.434 -15.711 -8.487 1.00 44.13 H new ATOM 0 HD2 LYS A 26 -5.631 -17.880 -7.532 1.00 15.24 H new ATOM 0 HD3 LYS A 26 -5.519 -18.436 -9.190 1.00 15.24 H new ATOM 0 HE2 LYS A 26 -3.148 -17.405 -7.580 1.00 41.44 H new ATOM 0 HE3 LYS A 26 -3.568 -19.100 -7.723 1.00 41.44 H new ATOM 0 HZ1 LYS A 26 -1.873 -18.480 -9.317 1.00 14.32 H new ATOM 0 HZ2 LYS A 26 -3.292 -18.938 -10.129 1.00 14.32 H new ATOM 0 HZ3 LYS A 26 -2.885 -17.295 -9.991 1.00 14.32 H new ATOM 396 N LYS A 27 -7.079 -12.624 -6.948 1.00 35.41 N ATOM 397 CA LYS A 27 -6.873 -11.189 -7.101 1.00 55.04 C ATOM 398 C LYS A 27 -5.698 -10.715 -6.251 1.00 53.40 C ATOM 399 O LYS A 27 -5.415 -11.281 -5.196 1.00 41.32 O ATOM 400 CB LYS A 27 -8.141 -10.426 -6.707 1.00 33.44 C ATOM 401 CG LYS A 27 -9.377 -10.871 -7.469 1.00 43.45 C ATOM 402 CD LYS A 27 -10.599 -10.062 -7.067 1.00 25.32 C ATOM 403 CE LYS A 27 -11.079 -9.175 -8.206 1.00 4.53 C ATOM 404 NZ LYS A 27 -11.873 -8.017 -7.710 1.00 12.54 N ATOM 0 H LYS A 27 -7.860 -12.876 -6.343 1.00 35.41 H new ATOM 0 HA LYS A 27 -6.646 -10.989 -8.148 1.00 55.04 H new ATOM 0 HB2 LYS A 27 -8.316 -10.555 -5.639 1.00 33.44 H new ATOM 0 HB3 LYS A 27 -7.983 -9.361 -6.877 1.00 33.44 H new ATOM 0 HG2 LYS A 27 -9.204 -10.764 -8.540 1.00 43.45 H new ATOM 0 HG3 LYS A 27 -9.561 -11.929 -7.280 1.00 43.45 H new ATOM 0 HD2 LYS A 27 -11.401 -10.737 -6.767 1.00 25.32 H new ATOM 0 HD3 LYS A 27 -10.360 -9.446 -6.200 1.00 25.32 H new ATOM 0 HE2 LYS A 27 -10.220 -8.811 -8.770 1.00 4.53 H new ATOM 0 HE3 LYS A 27 -11.686 -9.764 -8.894 1.00 4.53 H new ATOM 0 HZ1 LYS A 27 -12.182 -7.437 -8.516 1.00 12.54 H new ATOM 0 HZ2 LYS A 27 -12.706 -8.363 -7.193 1.00 12.54 H new ATOM 0 HZ3 LYS A 27 -11.286 -7.441 -7.074 1.00 12.54 H new ATOM 418 N GLN A 28 -5.020 -9.671 -6.718 1.00 54.44 N ATOM 419 CA GLN A 28 -3.876 -9.121 -6.000 1.00 13.30 C ATOM 420 C GLN A 28 -3.977 -7.602 -5.898 1.00 32.33 C ATOM 421 O GLN A 28 -4.940 -7.001 -6.372 1.00 41.42 O ATOM 422 CB GLN A 28 -2.573 -9.512 -6.697 1.00 15.42 C ATOM 423 CG GLN A 28 -2.351 -11.014 -6.775 1.00 10.33 C ATOM 424 CD GLN A 28 -1.986 -11.478 -8.171 1.00 14.23 C ATOM 425 OE1 GLN A 28 -1.099 -10.913 -8.814 1.00 63.21 O ATOM 426 NE2 GLN A 28 -2.667 -12.512 -8.650 1.00 63.43 N ATOM 0 H GLN A 28 -5.243 -9.190 -7.589 1.00 54.44 H new ATOM 0 HA GLN A 28 -3.878 -9.536 -4.992 1.00 13.30 H new ATOM 0 HB2 GLN A 28 -2.573 -9.100 -7.706 1.00 15.42 H new ATOM 0 HB3 GLN A 28 -1.736 -9.057 -6.167 1.00 15.42 H new ATOM 0 HG2 GLN A 28 -1.557 -11.297 -6.083 1.00 10.33 H new ATOM 0 HG3 GLN A 28 -3.255 -11.528 -6.450 1.00 10.33 H new ATOM 0 HE21 GLN A 28 -3.393 -12.951 -8.084 1.00 63.43 H new ATOM 0 HE22 GLN A 28 -2.464 -12.868 -9.584 1.00 63.43 H new ATOM 435 N TYR A 29 -2.975 -6.988 -5.276 1.00 64.40 N ATOM 436 CA TYR A 29 -2.953 -5.541 -5.110 1.00 41.34 C ATOM 437 C TYR A 29 -2.177 -4.874 -6.242 1.00 72.00 C ATOM 438 O TYR A 29 -1.248 -5.457 -6.801 1.00 4.33 O ATOM 439 CB TYR A 29 -2.330 -5.170 -3.762 1.00 35.41 C ATOM 440 CG TYR A 29 -3.310 -5.209 -2.612 1.00 51.22 C ATOM 441 CD1 TYR A 29 -4.103 -4.108 -2.312 1.00 24.53 C ATOM 442 CD2 TYR A 29 -3.441 -6.344 -1.823 1.00 60.20 C ATOM 443 CE1 TYR A 29 -5.000 -4.138 -1.262 1.00 72.34 C ATOM 444 CE2 TYR A 29 -4.335 -6.384 -0.771 1.00 44.51 C ATOM 445 CZ TYR A 29 -5.112 -5.278 -0.494 1.00 44.11 C ATOM 446 OH TYR A 29 -6.004 -5.313 0.554 1.00 50.02 O ATOM 0 H TYR A 29 -2.169 -7.471 -4.879 1.00 64.40 H new ATOM 0 HA TYR A 29 -3.982 -5.182 -5.138 1.00 41.34 H new ATOM 0 HB2 TYR A 29 -1.507 -5.853 -3.551 1.00 35.41 H new ATOM 0 HB3 TYR A 29 -1.903 -4.169 -3.831 1.00 35.41 H new ATOM 0 HD1 TYR A 29 -4.016 -3.213 -2.910 1.00 24.53 H new ATOM 0 HD2 TYR A 29 -2.833 -7.211 -2.036 1.00 60.20 H new ATOM 0 HE1 TYR A 29 -5.610 -3.274 -1.044 1.00 72.34 H new ATOM 0 HE2 TYR A 29 -4.425 -7.276 -0.169 1.00 44.51 H new ATOM 0 HH TYR A 29 -6.258 -6.242 0.737 1.00 50.02 H new ATOM 456 N LYS A 30 -2.564 -3.647 -6.573 1.00 13.41 N ATOM 457 CA LYS A 30 -1.905 -2.898 -7.636 1.00 1.51 C ATOM 458 C LYS A 30 -1.821 -1.415 -7.285 1.00 35.13 C ATOM 459 O LYS A 30 -2.386 -0.970 -6.285 1.00 21.21 O ATOM 460 CB LYS A 30 -2.658 -3.077 -8.957 1.00 13.03 C ATOM 461 CG LYS A 30 -1.824 -3.728 -10.048 1.00 2.01 C ATOM 462 CD LYS A 30 -2.618 -3.892 -11.333 1.00 42.43 C ATOM 463 CE LYS A 30 -3.312 -5.245 -11.391 1.00 12.43 C ATOM 464 NZ LYS A 30 -2.472 -6.269 -12.071 1.00 63.21 N ATOM 0 H LYS A 30 -3.331 -3.150 -6.120 1.00 13.41 H new ATOM 0 HA LYS A 30 -0.892 -3.286 -7.746 1.00 1.51 H new ATOM 0 HB2 LYS A 30 -3.547 -3.683 -8.780 1.00 13.03 H new ATOM 0 HB3 LYS A 30 -3.001 -2.103 -9.305 1.00 13.03 H new ATOM 0 HG2 LYS A 30 -0.939 -3.122 -10.241 1.00 2.01 H new ATOM 0 HG3 LYS A 30 -1.475 -4.703 -9.708 1.00 2.01 H new ATOM 0 HD2 LYS A 30 -3.361 -3.098 -11.407 1.00 42.43 H new ATOM 0 HD3 LYS A 30 -1.952 -3.787 -12.189 1.00 42.43 H new ATOM 0 HE2 LYS A 30 -3.543 -5.578 -10.379 1.00 12.43 H new ATOM 0 HE3 LYS A 30 -4.261 -5.145 -11.918 1.00 12.43 H new ATOM 0 HZ1 LYS A 30 -2.979 -7.177 -12.091 1.00 63.21 H new ATOM 0 HZ2 LYS A 30 -2.272 -5.963 -13.045 1.00 63.21 H new ATOM 0 HZ3 LYS A 30 -1.577 -6.383 -11.553 1.00 63.21 H new ATOM 478 N LEU A 31 -1.112 -0.656 -8.114 1.00 42.14 N ATOM 479 CA LEU A 31 -0.955 0.778 -7.891 1.00 73.11 C ATOM 480 C LEU A 31 -2.309 1.448 -7.681 1.00 52.20 C ATOM 481 O LEU A 31 -2.431 2.393 -6.902 1.00 44.21 O ATOM 482 CB LEU A 31 -0.234 1.421 -9.077 1.00 55.12 C ATOM 483 CG LEU A 31 1.061 2.166 -8.751 1.00 51.03 C ATOM 484 CD1 LEU A 31 2.195 1.183 -8.503 1.00 53.45 C ATOM 485 CD2 LEU A 31 1.422 3.127 -9.874 1.00 32.23 C ATOM 0 H LEU A 31 -0.637 -1.009 -8.945 1.00 42.14 H new ATOM 0 HA LEU A 31 -0.358 0.918 -6.990 1.00 73.11 H new ATOM 0 HB2 LEU A 31 -0.008 0.642 -9.805 1.00 55.12 H new ATOM 0 HB3 LEU A 31 -0.919 2.118 -9.559 1.00 55.12 H new ATOM 0 HG LEU A 31 0.904 2.745 -7.841 1.00 51.03 H new ATOM 0 HD11 LEU A 31 3.108 1.732 -8.273 1.00 53.45 H new ATOM 0 HD12 LEU A 31 1.939 0.536 -7.664 1.00 53.45 H new ATOM 0 HD13 LEU A 31 2.352 0.576 -9.395 1.00 53.45 H new ATOM 0 HD21 LEU A 31 2.346 3.648 -9.624 1.00 32.23 H new ATOM 0 HD22 LEU A 31 1.559 2.569 -10.800 1.00 32.23 H new ATOM 0 HD23 LEU A 31 0.620 3.853 -10.003 1.00 32.23 H new ATOM 497 N LYS A 32 -3.324 0.951 -8.378 1.00 31.24 N ATOM 498 CA LYS A 32 -4.670 1.498 -8.266 1.00 4.43 C ATOM 499 C LYS A 32 -5.061 1.688 -6.804 1.00 22.23 C ATOM 500 O LYS A 32 -5.629 2.715 -6.431 1.00 13.32 O ATOM 501 CB LYS A 32 -5.678 0.576 -8.958 1.00 34.44 C ATOM 502 CG LYS A 32 -5.832 0.850 -10.444 1.00 63.30 C ATOM 503 CD LYS A 32 -6.275 -0.394 -11.197 1.00 12.42 C ATOM 504 CE LYS A 32 -6.318 -0.150 -12.697 1.00 5.35 C ATOM 505 NZ LYS A 32 -4.956 -0.137 -13.297 1.00 0.43 N ATOM 0 H LYS A 32 -3.240 0.169 -9.027 1.00 31.24 H new ATOM 0 HA LYS A 32 -4.680 2.471 -8.756 1.00 4.43 H new ATOM 0 HB2 LYS A 32 -5.366 -0.459 -8.818 1.00 34.44 H new ATOM 0 HB3 LYS A 32 -6.649 0.685 -8.474 1.00 34.44 H new ATOM 0 HG2 LYS A 32 -6.561 1.646 -10.595 1.00 63.30 H new ATOM 0 HG3 LYS A 32 -4.884 1.204 -10.850 1.00 63.30 H new ATOM 0 HD2 LYS A 32 -5.591 -1.215 -10.980 1.00 12.42 H new ATOM 0 HD3 LYS A 32 -7.261 -0.700 -10.848 1.00 12.42 H new ATOM 0 HE2 LYS A 32 -6.917 -0.926 -13.174 1.00 5.35 H new ATOM 0 HE3 LYS A 32 -6.811 0.801 -12.896 1.00 5.35 H new ATOM 0 HZ1 LYS A 32 -5.030 0.015 -14.323 1.00 0.43 H new ATOM 0 HZ2 LYS A 32 -4.397 0.630 -12.873 1.00 0.43 H new ATOM 0 HZ3 LYS A 32 -4.488 -1.048 -13.115 1.00 0.43 H new ATOM 519 N HIS A 33 -4.751 0.693 -5.980 1.00 22.11 N ATOM 520 CA HIS A 33 -5.068 0.751 -4.557 1.00 54.22 C ATOM 521 C HIS A 33 -4.208 1.797 -3.852 1.00 21.24 C ATOM 522 O HIS A 33 -4.760 2.512 -3.015 1.00 25.54 O ATOM 523 CB HIS A 33 -4.858 -0.618 -3.909 1.00 53.25 C ATOM 524 CG HIS A 33 -5.617 -1.720 -4.579 1.00 25.43 C ATOM 525 ND1 HIS A 33 -5.006 -2.739 -5.279 1.00 22.21 N ATOM 526 CD2 HIS A 33 -6.948 -1.962 -4.654 1.00 52.35 C ATOM 527 CE1 HIS A 33 -5.928 -3.558 -5.755 1.00 41.21 C ATOM 528 NE2 HIS A 33 -7.114 -3.108 -5.388 1.00 30.52 N ATOM 0 H HIS A 33 -4.281 -0.163 -6.273 1.00 22.11 H new ATOM 0 HA HIS A 33 -6.115 1.036 -4.455 1.00 54.22 H new ATOM 0 HB2 HIS A 33 -3.795 -0.859 -3.924 1.00 53.25 H new ATOM 0 HB3 HIS A 33 -5.158 -0.565 -2.862 1.00 53.25 H new ATOM 0 HD2 HIS A 33 -7.733 -1.363 -4.217 1.00 52.35 H new ATOM 0 HE1 HIS A 33 -5.743 -4.444 -6.344 1.00 41.21 H new ATOM 0 HE2 HIS A 33 -8.009 -3.543 -5.614 1.00 30.52 H new ATOM 536 N ILE A 34 -2.919 1.903 -4.157 1.00 22.44 N ATOM 537 CA ILE A 34 -2.060 2.888 -3.512 1.00 33.33 C ATOM 538 C ILE A 34 -2.531 4.306 -3.808 1.00 1.43 C ATOM 539 O ILE A 34 -2.967 5.028 -2.911 1.00 5.32 O ATOM 540 CB ILE A 34 -0.595 2.739 -3.965 1.00 3.41 C ATOM 541 CG1 ILE A 34 -0.045 1.375 -3.547 1.00 14.21 C ATOM 542 CG2 ILE A 34 0.254 3.860 -3.385 1.00 10.41 C ATOM 543 CD1 ILE A 34 0.704 0.661 -4.652 1.00 43.23 C ATOM 0 H ILE A 34 -2.447 1.319 -4.847 1.00 22.44 H new ATOM 0 HA ILE A 34 -2.120 2.705 -2.439 1.00 33.33 H new ATOM 0 HB ILE A 34 -0.557 2.806 -5.052 1.00 3.41 H new ATOM 0 HG12 ILE A 34 0.621 1.507 -2.694 1.00 14.21 H new ATOM 0 HG13 ILE A 34 -0.870 0.746 -3.213 1.00 14.21 H new ATOM 0 HG21 ILE A 34 1.287 3.742 -3.714 1.00 10.41 H new ATOM 0 HG22 ILE A 34 -0.128 4.821 -3.729 1.00 10.41 H new ATOM 0 HG23 ILE A 34 0.213 3.822 -2.296 1.00 10.41 H new ATOM 0 HD11 ILE A 34 1.066 -0.299 -4.285 1.00 43.23 H new ATOM 0 HD12 ILE A 34 0.036 0.498 -5.498 1.00 43.23 H new ATOM 0 HD13 ILE A 34 1.550 1.270 -4.970 1.00 43.23 H new ATOM 555 N VAL A 35 -2.443 4.702 -5.074 1.00 32.45 N ATOM 556 CA VAL A 35 -2.863 6.034 -5.490 1.00 3.15 C ATOM 557 C VAL A 35 -4.150 6.450 -4.787 1.00 62.44 C ATOM 558 O VAL A 35 -4.219 7.517 -4.178 1.00 43.14 O ATOM 559 CB VAL A 35 -3.080 6.104 -7.014 1.00 51.42 C ATOM 560 CG1 VAL A 35 -3.642 7.461 -7.412 1.00 70.51 C ATOM 561 CG2 VAL A 35 -1.779 5.821 -7.750 1.00 64.03 C ATOM 0 H VAL A 35 -2.084 4.118 -5.830 1.00 32.45 H new ATOM 0 HA VAL A 35 -2.062 6.719 -5.211 1.00 3.15 H new ATOM 0 HB VAL A 35 -3.805 5.340 -7.296 1.00 51.42 H new ATOM 0 HG11 VAL A 35 -3.789 7.492 -8.492 1.00 70.51 H new ATOM 0 HG12 VAL A 35 -4.597 7.620 -6.911 1.00 70.51 H new ATOM 0 HG13 VAL A 35 -2.943 8.244 -7.118 1.00 70.51 H new ATOM 0 HG21 VAL A 35 -1.950 5.874 -8.825 1.00 64.03 H new ATOM 0 HG22 VAL A 35 -1.031 6.561 -7.464 1.00 64.03 H new ATOM 0 HG23 VAL A 35 -1.422 4.825 -7.488 1.00 64.03 H new ATOM 571 N TRP A 36 -5.166 5.599 -4.873 1.00 11.32 N ATOM 572 CA TRP A 36 -6.452 5.879 -4.243 1.00 62.51 C ATOM 573 C TRP A 36 -6.279 6.157 -2.754 1.00 22.40 C ATOM 574 O TRP A 36 -6.806 7.140 -2.232 1.00 73.53 O ATOM 575 CB TRP A 36 -7.409 4.703 -4.447 1.00 61.31 C ATOM 576 CG TRP A 36 -8.665 4.811 -3.636 1.00 15.43 C ATOM 577 CD1 TRP A 36 -9.809 5.474 -3.982 1.00 73.22 C ATOM 578 CD2 TRP A 36 -8.903 4.242 -2.344 1.00 11.53 C ATOM 579 NE1 TRP A 36 -10.742 5.351 -2.982 1.00 24.42 N ATOM 580 CE2 TRP A 36 -10.212 4.599 -1.967 1.00 22.32 C ATOM 581 CE3 TRP A 36 -8.139 3.464 -1.471 1.00 52.42 C ATOM 582 CZ2 TRP A 36 -10.771 4.205 -0.754 1.00 11.11 C ATOM 583 CZ3 TRP A 36 -8.694 3.074 -0.267 1.00 10.40 C ATOM 584 CH2 TRP A 36 -9.999 3.444 0.083 1.00 4.22 C ATOM 0 H TRP A 36 -5.125 4.710 -5.372 1.00 11.32 H new ATOM 0 HA TRP A 36 -6.874 6.768 -4.713 1.00 62.51 H new ATOM 0 HB2 TRP A 36 -7.671 4.637 -5.503 1.00 61.31 H new ATOM 0 HB3 TRP A 36 -6.896 3.777 -4.187 1.00 61.31 H new ATOM 0 HD1 TRP A 36 -9.957 6.015 -4.905 1.00 73.22 H new ATOM 0 HE1 TRP A 36 -11.679 5.755 -2.993 1.00 24.42 H new ATOM 0 HE3 TRP A 36 -7.132 3.172 -1.732 1.00 52.42 H new ATOM 0 HZ2 TRP A 36 -11.777 4.489 -0.483 1.00 11.11 H new ATOM 0 HZ3 TRP A 36 -8.112 2.473 0.416 1.00 10.40 H new ATOM 0 HH2 TRP A 36 -10.404 3.123 1.031 1.00 4.22 H new ATOM 595 N ALA A 37 -5.538 5.286 -2.076 1.00 45.35 N ATOM 596 CA ALA A 37 -5.295 5.441 -0.647 1.00 43.22 C ATOM 597 C ALA A 37 -4.524 6.724 -0.357 1.00 70.14 C ATOM 598 O ALA A 37 -4.935 7.533 0.475 1.00 44.32 O ATOM 599 CB ALA A 37 -4.540 4.236 -0.106 1.00 24.52 C ATOM 0 H ALA A 37 -5.096 4.467 -2.493 1.00 45.35 H new ATOM 0 HA ALA A 37 -6.260 5.507 -0.145 1.00 43.22 H new ATOM 0 HB1 ALA A 37 -4.365 4.365 0.962 1.00 24.52 H new ATOM 0 HB2 ALA A 37 -5.129 3.334 -0.271 1.00 24.52 H new ATOM 0 HB3 ALA A 37 -3.584 4.144 -0.621 1.00 24.52 H new ATOM 605 N SER A 38 -3.403 6.904 -1.048 1.00 11.32 N ATOM 606 CA SER A 38 -2.571 8.087 -0.861 1.00 3.01 C ATOM 607 C SER A 38 -3.395 9.361 -1.019 1.00 1.25 C ATOM 608 O SER A 38 -3.140 10.365 -0.353 1.00 3.43 O ATOM 609 CB SER A 38 -1.415 8.087 -1.862 1.00 13.24 C ATOM 610 OG SER A 38 -0.688 6.872 -1.802 1.00 32.31 O ATOM 0 H SER A 38 -3.050 6.246 -1.743 1.00 11.32 H new ATOM 0 HA SER A 38 -2.166 8.060 0.151 1.00 3.01 H new ATOM 0 HB2 SER A 38 -1.803 8.233 -2.870 1.00 13.24 H new ATOM 0 HB3 SER A 38 -0.749 8.924 -1.653 1.00 13.24 H new ATOM 0 HG SER A 38 -0.205 6.738 -2.644 1.00 32.31 H new ATOM 616 N ARG A 39 -4.384 9.312 -1.906 1.00 41.34 N ATOM 617 CA ARG A 39 -5.246 10.462 -2.154 1.00 41.30 C ATOM 618 C ARG A 39 -6.355 10.545 -1.109 1.00 10.31 C ATOM 619 O ARG A 39 -6.624 11.612 -0.560 1.00 51.21 O ATOM 620 CB ARG A 39 -5.855 10.378 -3.555 1.00 72.32 C ATOM 621 CG ARG A 39 -6.476 11.681 -4.028 1.00 13.33 C ATOM 622 CD ARG A 39 -6.468 11.783 -5.546 1.00 72.05 C ATOM 623 NE ARG A 39 -7.562 11.028 -6.150 1.00 12.31 N ATOM 624 CZ ARG A 39 -7.873 11.090 -7.440 1.00 2.33 C ATOM 625 NH1 ARG A 39 -7.175 11.867 -8.257 1.00 30.13 N ATOM 626 NH2 ARG A 39 -8.883 10.373 -7.916 1.00 53.12 N ATOM 0 H ARG A 39 -4.608 8.489 -2.465 1.00 41.34 H new ATOM 0 HA ARG A 39 -4.637 11.363 -2.084 1.00 41.30 H new ATOM 0 HB2 ARG A 39 -5.081 10.077 -4.261 1.00 72.32 H new ATOM 0 HB3 ARG A 39 -6.616 9.598 -3.565 1.00 72.32 H new ATOM 0 HG2 ARG A 39 -7.501 11.751 -3.663 1.00 13.33 H new ATOM 0 HG3 ARG A 39 -5.928 12.522 -3.603 1.00 13.33 H new ATOM 0 HD2 ARG A 39 -6.544 12.830 -5.840 1.00 72.05 H new ATOM 0 HD3 ARG A 39 -5.517 11.413 -5.929 1.00 72.05 H new ATOM 0 HE ARG A 39 -8.118 10.420 -5.549 1.00 12.31 H new ATOM 0 HH11 ARG A 39 -6.397 12.419 -7.895 1.00 30.13 H new ATOM 0 HH12 ARG A 39 -7.416 11.913 -9.247 1.00 30.13 H new ATOM 0 HH21 ARG A 39 -9.422 9.773 -7.291 1.00 53.12 H new ATOM 0 HH22 ARG A 39 -9.121 10.422 -8.907 1.00 53.12 H new ATOM 640 N GLU A 40 -6.995 9.411 -0.843 1.00 45.32 N ATOM 641 CA GLU A 40 -8.077 9.357 0.135 1.00 53.42 C ATOM 642 C GLU A 40 -7.637 9.959 1.466 1.00 60.53 C ATOM 643 O GLU A 40 -8.335 10.794 2.044 1.00 31.34 O ATOM 644 CB GLU A 40 -8.535 7.912 0.343 1.00 32.04 C ATOM 645 CG GLU A 40 -10.009 7.691 0.046 1.00 10.41 C ATOM 646 CD GLU A 40 -10.902 8.088 1.205 1.00 51.01 C ATOM 647 OE1 GLU A 40 -11.116 7.248 2.104 1.00 31.24 O ATOM 648 OE2 GLU A 40 -11.388 9.238 1.214 1.00 4.22 O ATOM 0 H GLU A 40 -6.784 8.519 -1.290 1.00 45.32 H new ATOM 0 HA GLU A 40 -8.911 9.943 -0.251 1.00 53.42 H new ATOM 0 HB2 GLU A 40 -7.942 7.257 -0.295 1.00 32.04 H new ATOM 0 HB3 GLU A 40 -8.333 7.621 1.374 1.00 32.04 H new ATOM 0 HG2 GLU A 40 -10.288 8.266 -0.837 1.00 10.41 H new ATOM 0 HG3 GLU A 40 -10.174 6.640 -0.192 1.00 10.41 H new ATOM 655 N LEU A 41 -6.477 9.529 1.949 1.00 31.54 N ATOM 656 CA LEU A 41 -5.943 10.024 3.213 1.00 41.20 C ATOM 657 C LEU A 41 -5.683 11.525 3.143 1.00 1.33 C ATOM 658 O LEU A 41 -5.746 12.223 4.154 1.00 44.33 O ATOM 659 CB LEU A 41 -4.650 9.287 3.567 1.00 30.34 C ATOM 660 CG LEU A 41 -4.812 7.853 4.072 1.00 54.33 C ATOM 661 CD1 LEU A 41 -3.452 7.217 4.318 1.00 64.14 C ATOM 662 CD2 LEU A 41 -5.653 7.827 5.341 1.00 33.24 C ATOM 0 H LEU A 41 -5.888 8.838 1.484 1.00 31.54 H new ATOM 0 HA LEU A 41 -6.684 9.838 3.990 1.00 41.20 H new ATOM 0 HB2 LEU A 41 -4.012 9.270 2.684 1.00 30.34 H new ATOM 0 HB3 LEU A 41 -4.124 9.862 4.329 1.00 30.34 H new ATOM 0 HG LEU A 41 -5.328 7.274 3.306 1.00 54.33 H new ATOM 0 HD11 LEU A 41 -3.587 6.197 4.677 1.00 64.14 H new ATOM 0 HD12 LEU A 41 -2.884 7.202 3.388 1.00 64.14 H new ATOM 0 HD13 LEU A 41 -2.910 7.796 5.066 1.00 64.14 H new ATOM 0 HD21 LEU A 41 -5.758 6.799 5.687 1.00 33.24 H new ATOM 0 HD22 LEU A 41 -5.165 8.421 6.113 1.00 33.24 H new ATOM 0 HD23 LEU A 41 -6.639 8.242 5.133 1.00 33.24 H new ATOM 674 N GLU A 42 -5.392 12.016 1.942 1.00 22.00 N ATOM 675 CA GLU A 42 -5.124 13.435 1.741 1.00 25.21 C ATOM 676 C GLU A 42 -6.371 14.269 2.024 1.00 2.02 C ATOM 677 O GLU A 42 -6.278 15.406 2.487 1.00 60.43 O ATOM 678 CB GLU A 42 -4.642 13.688 0.312 1.00 12.54 C ATOM 679 CG GLU A 42 -3.911 15.010 0.141 1.00 61.31 C ATOM 680 CD GLU A 42 -4.850 16.162 -0.157 1.00 62.13 C ATOM 681 OE1 GLU A 42 -5.704 16.015 -1.057 1.00 70.24 O ATOM 682 OE2 GLU A 42 -4.732 17.210 0.511 1.00 10.04 O ATOM 0 H GLU A 42 -5.336 11.452 1.094 1.00 22.00 H new ATOM 0 HA GLU A 42 -4.342 13.733 2.439 1.00 25.21 H new ATOM 0 HB2 GLU A 42 -3.981 12.875 0.011 1.00 12.54 H new ATOM 0 HB3 GLU A 42 -5.499 13.667 -0.361 1.00 12.54 H new ATOM 0 HG2 GLU A 42 -3.349 15.230 1.049 1.00 61.31 H new ATOM 0 HG3 GLU A 42 -3.187 14.918 -0.668 1.00 61.31 H new ATOM 689 N ARG A 43 -7.535 13.696 1.741 1.00 25.15 N ATOM 690 CA ARG A 43 -8.801 14.387 1.961 1.00 62.54 C ATOM 691 C ARG A 43 -9.458 13.916 3.255 1.00 64.35 C ATOM 692 O ARG A 43 -10.296 14.612 3.828 1.00 74.11 O ATOM 693 CB ARG A 43 -9.747 14.153 0.783 1.00 14.34 C ATOM 694 CG ARG A 43 -9.459 15.044 -0.415 1.00 2.01 C ATOM 695 CD ARG A 43 -10.267 16.331 -0.359 1.00 25.03 C ATOM 696 NE ARG A 43 -10.481 16.901 -1.687 1.00 65.21 N ATOM 697 CZ ARG A 43 -11.419 17.801 -1.956 1.00 2.45 C ATOM 698 NH1 ARG A 43 -12.225 18.234 -0.996 1.00 74.23 N ATOM 699 NH2 ARG A 43 -11.553 18.273 -3.190 1.00 31.23 N ATOM 0 H ARG A 43 -7.629 12.755 1.359 1.00 25.15 H new ATOM 0 HA ARG A 43 -8.594 15.454 2.044 1.00 62.54 H new ATOM 0 HB2 ARG A 43 -9.678 13.110 0.474 1.00 14.34 H new ATOM 0 HB3 ARG A 43 -10.772 14.321 1.112 1.00 14.34 H new ATOM 0 HG2 ARG A 43 -8.396 15.282 -0.446 1.00 2.01 H new ATOM 0 HG3 ARG A 43 -9.692 14.506 -1.334 1.00 2.01 H new ATOM 0 HD2 ARG A 43 -11.231 16.134 0.111 1.00 25.03 H new ATOM 0 HD3 ARG A 43 -9.749 17.057 0.268 1.00 25.03 H new ATOM 0 HE ARG A 43 -9.877 16.591 -2.448 1.00 65.21 H new ATOM 0 HH11 ARG A 43 -12.126 17.875 -0.046 1.00 74.23 H new ATOM 0 HH12 ARG A 43 -12.944 18.926 -1.207 1.00 74.23 H new ATOM 0 HH21 ARG A 43 -10.935 17.944 -3.932 1.00 31.23 H new ATOM 0 HH22 ARG A 43 -12.274 18.965 -3.396 1.00 31.23 H new ATOM 713 N PHE A 44 -9.072 12.728 3.711 1.00 35.41 N ATOM 714 CA PHE A 44 -9.624 12.163 4.936 1.00 44.24 C ATOM 715 C PHE A 44 -9.151 12.946 6.158 1.00 71.23 C ATOM 716 O PHE A 44 -9.678 12.779 7.258 1.00 31.21 O ATOM 717 CB PHE A 44 -9.222 10.692 5.072 1.00 10.23 C ATOM 718 CG PHE A 44 -10.379 9.742 4.961 1.00 2.11 C ATOM 719 CD1 PHE A 44 -11.371 9.945 4.015 1.00 32.14 C ATOM 720 CD2 PHE A 44 -10.476 8.647 5.803 1.00 71.55 C ATOM 721 CE1 PHE A 44 -12.438 9.071 3.910 1.00 12.00 C ATOM 722 CE2 PHE A 44 -11.540 7.769 5.703 1.00 13.25 C ATOM 723 CZ PHE A 44 -12.522 7.982 4.755 1.00 44.44 C ATOM 0 H PHE A 44 -8.379 12.139 3.250 1.00 35.41 H new ATOM 0 HA PHE A 44 -10.710 12.232 4.880 1.00 44.24 H new ATOM 0 HB2 PHE A 44 -8.489 10.451 4.302 1.00 10.23 H new ATOM 0 HB3 PHE A 44 -8.732 10.545 6.035 1.00 10.23 H new ATOM 0 HD1 PHE A 44 -11.310 10.795 3.352 1.00 32.14 H new ATOM 0 HD2 PHE A 44 -9.712 8.476 6.547 1.00 71.55 H new ATOM 0 HE1 PHE A 44 -13.204 9.240 3.168 1.00 12.00 H new ATOM 0 HE2 PHE A 44 -11.603 6.918 6.365 1.00 13.25 H new ATOM 0 HZ PHE A 44 -13.354 7.298 4.675 1.00 44.44 H new ATOM 733 N ALA A 45 -8.153 13.800 5.956 1.00 42.13 N ATOM 734 CA ALA A 45 -7.609 14.609 7.039 1.00 44.31 C ATOM 735 C ALA A 45 -6.424 13.915 7.702 1.00 1.23 C ATOM 736 O ALA A 45 -5.851 14.427 8.664 1.00 21.31 O ATOM 737 CB ALA A 45 -8.690 14.910 8.067 1.00 33.02 C ATOM 0 H ALA A 45 -7.705 13.949 5.052 1.00 42.13 H new ATOM 0 HA ALA A 45 -7.255 15.548 6.615 1.00 44.31 H new ATOM 0 HB1 ALA A 45 -8.270 15.515 8.870 1.00 33.02 H new ATOM 0 HB2 ALA A 45 -9.504 15.455 7.590 1.00 33.02 H new ATOM 0 HB3 ALA A 45 -9.071 13.975 8.478 1.00 33.02 H new ATOM 743 N VAL A 46 -6.063 12.747 7.182 1.00 31.01 N ATOM 744 CA VAL A 46 -4.945 11.982 7.724 1.00 50.31 C ATOM 745 C VAL A 46 -3.713 12.106 6.835 1.00 23.42 C ATOM 746 O VAL A 46 -3.738 11.726 5.665 1.00 24.21 O ATOM 747 CB VAL A 46 -5.307 10.492 7.878 1.00 54.31 C ATOM 748 CG1 VAL A 46 -4.055 9.661 8.113 1.00 41.42 C ATOM 749 CG2 VAL A 46 -6.304 10.302 9.010 1.00 61.51 C ATOM 0 H VAL A 46 -6.528 12.309 6.386 1.00 31.01 H new ATOM 0 HA VAL A 46 -4.723 12.397 8.707 1.00 50.31 H new ATOM 0 HB VAL A 46 -5.772 10.150 6.954 1.00 54.31 H new ATOM 0 HG11 VAL A 46 -4.330 8.612 8.219 1.00 41.42 H new ATOM 0 HG12 VAL A 46 -3.378 9.775 7.266 1.00 41.42 H new ATOM 0 HG13 VAL A 46 -3.559 10.000 9.022 1.00 41.42 H new ATOM 0 HG21 VAL A 46 -6.549 9.244 9.105 1.00 61.51 H new ATOM 0 HG22 VAL A 46 -5.868 10.659 9.943 1.00 61.51 H new ATOM 0 HG23 VAL A 46 -7.211 10.867 8.794 1.00 61.51 H new ATOM 759 N ASN A 47 -2.634 12.639 7.398 1.00 71.04 N ATOM 760 CA ASN A 47 -1.391 12.812 6.657 1.00 14.41 C ATOM 761 C ASN A 47 -1.009 11.529 5.926 1.00 11.34 C ATOM 762 O ASN A 47 -0.939 10.448 6.512 1.00 41.44 O ATOM 763 CB ASN A 47 -0.262 13.229 7.602 1.00 64.11 C ATOM 764 CG ASN A 47 -0.085 14.734 7.663 1.00 32.05 C ATOM 765 OD1 ASN A 47 0.135 15.386 6.642 1.00 61.04 O ATOM 766 ND2 ASN A 47 -0.179 15.292 8.864 1.00 41.12 N ATOM 0 H ASN A 47 -2.596 12.959 8.366 1.00 71.04 H new ATOM 0 HA ASN A 47 -1.546 13.598 5.918 1.00 14.41 H new ATOM 0 HB2 ASN A 47 -0.471 12.850 8.602 1.00 64.11 H new ATOM 0 HB3 ASN A 47 0.671 12.769 7.275 1.00 64.11 H new ATOM 0 HD21 ASN A 47 -0.068 16.301 8.968 1.00 41.12 H new ATOM 0 HD22 ASN A 47 -0.363 14.712 9.683 1.00 41.12 H new ATOM 773 N PRO A 48 -0.757 11.648 4.614 1.00 31.51 N ATOM 774 CA PRO A 48 -0.377 10.507 3.774 1.00 73.23 C ATOM 775 C PRO A 48 1.021 9.990 4.097 1.00 1.33 C ATOM 776 O PRO A 48 1.406 8.905 3.666 1.00 60.53 O ATOM 777 CB PRO A 48 -0.421 11.081 2.356 1.00 14.12 C ATOM 778 CG PRO A 48 -0.193 12.543 2.531 1.00 63.35 C ATOM 779 CD PRO A 48 -0.821 12.905 3.849 1.00 23.34 C ATOM 0 HA PRO A 48 -1.037 9.653 3.923 1.00 73.23 H new ATOM 0 HB2 PRO A 48 0.346 10.634 1.724 1.00 14.12 H new ATOM 0 HB3 PRO A 48 -1.381 10.884 1.879 1.00 14.12 H new ATOM 0 HG2 PRO A 48 0.872 12.775 2.529 1.00 63.35 H new ATOM 0 HG3 PRO A 48 -0.644 13.109 1.715 1.00 63.35 H new ATOM 0 HD2 PRO A 48 -0.276 13.707 4.347 1.00 23.34 H new ATOM 0 HD3 PRO A 48 -1.848 13.248 3.724 1.00 23.34 H new ATOM 787 N GLY A 49 1.776 10.776 4.859 1.00 32.02 N ATOM 788 CA GLY A 49 3.123 10.380 5.226 1.00 70.42 C ATOM 789 C GLY A 49 3.143 9.180 6.153 1.00 1.42 C ATOM 790 O GLY A 49 4.210 8.682 6.515 1.00 40.23 O ATOM 0 H GLY A 49 1.479 11.679 5.228 1.00 32.02 H new ATOM 0 HA2 GLY A 49 3.689 10.147 4.324 1.00 70.42 H new ATOM 0 HA3 GLY A 49 3.625 11.217 5.710 1.00 70.42 H new ATOM 794 N LEU A 50 1.960 8.715 6.540 1.00 71.52 N ATOM 795 CA LEU A 50 1.845 7.567 7.433 1.00 24.25 C ATOM 796 C LEU A 50 2.047 6.262 6.669 1.00 70.35 C ATOM 797 O LEU A 50 2.235 5.202 7.269 1.00 24.00 O ATOM 798 CB LEU A 50 0.476 7.563 8.117 1.00 11.53 C ATOM 799 CG LEU A 50 0.132 8.807 8.936 1.00 40.11 C ATOM 800 CD1 LEU A 50 -1.313 8.755 9.406 1.00 5.13 C ATOM 801 CD2 LEU A 50 1.075 8.942 10.122 1.00 52.13 C ATOM 0 H LEU A 50 1.068 9.115 6.250 1.00 71.52 H new ATOM 0 HA LEU A 50 2.623 7.648 8.192 1.00 24.25 H new ATOM 0 HB2 LEU A 50 -0.290 7.433 7.352 1.00 11.53 H new ATOM 0 HB3 LEU A 50 0.422 6.694 8.773 1.00 11.53 H new ATOM 0 HG LEU A 50 0.254 9.683 8.298 1.00 40.11 H new ATOM 0 HD11 LEU A 50 -1.539 9.649 9.987 1.00 5.13 H new ATOM 0 HD12 LEU A 50 -1.975 8.707 8.542 1.00 5.13 H new ATOM 0 HD13 LEU A 50 -1.462 7.871 10.027 1.00 5.13 H new ATOM 0 HD21 LEU A 50 0.815 9.833 10.694 1.00 52.13 H new ATOM 0 HD22 LEU A 50 0.986 8.063 10.760 1.00 52.13 H new ATOM 0 HD23 LEU A 50 2.101 9.027 9.763 1.00 52.13 H new ATOM 813 N LEU A 51 2.012 6.345 5.344 1.00 50.31 N ATOM 814 CA LEU A 51 2.194 5.171 4.498 1.00 71.24 C ATOM 815 C LEU A 51 3.675 4.910 4.240 1.00 2.51 C ATOM 816 O LEU A 51 4.052 3.843 3.759 1.00 33.44 O ATOM 817 CB LEU A 51 1.458 5.354 3.170 1.00 44.43 C ATOM 818 CG LEU A 51 -0.051 5.589 3.266 1.00 14.32 C ATOM 819 CD1 LEU A 51 -0.671 5.641 1.879 1.00 50.53 C ATOM 820 CD2 LEU A 51 -0.706 4.503 4.105 1.00 64.31 C ATOM 0 H LEU A 51 1.859 7.214 4.832 1.00 50.31 H new ATOM 0 HA LEU A 51 1.777 4.310 5.021 1.00 71.24 H new ATOM 0 HB2 LEU A 51 1.904 6.198 2.643 1.00 44.43 H new ATOM 0 HB3 LEU A 51 1.630 4.469 2.557 1.00 44.43 H new ATOM 0 HG LEU A 51 -0.221 6.549 3.754 1.00 14.32 H new ATOM 0 HD11 LEU A 51 -1.744 5.809 1.966 1.00 50.53 H new ATOM 0 HD12 LEU A 51 -0.222 6.455 1.310 1.00 50.53 H new ATOM 0 HD13 LEU A 51 -0.492 4.697 1.365 1.00 50.53 H new ATOM 0 HD21 LEU A 51 -1.779 4.686 4.163 1.00 64.31 H new ATOM 0 HD22 LEU A 51 -0.528 3.531 3.645 1.00 64.31 H new ATOM 0 HD23 LEU A 51 -0.282 4.513 5.109 1.00 64.31 H new ATOM 832 N GLU A 52 4.509 5.893 4.566 1.00 13.35 N ATOM 833 CA GLU A 52 5.949 5.769 4.370 1.00 11.35 C ATOM 834 C GLU A 52 6.654 5.471 5.690 1.00 21.11 C ATOM 835 O GLU A 52 7.671 6.084 6.017 1.00 2.02 O ATOM 836 CB GLU A 52 6.514 7.051 3.755 1.00 1.15 C ATOM 837 CG GLU A 52 6.315 8.282 4.622 1.00 1.32 C ATOM 838 CD GLU A 52 7.260 9.411 4.259 1.00 44.02 C ATOM 839 OE1 GLU A 52 7.503 9.616 3.052 1.00 12.44 O ATOM 840 OE2 GLU A 52 7.755 10.089 5.183 1.00 61.34 O ATOM 0 H GLU A 52 4.213 6.783 4.967 1.00 13.35 H new ATOM 0 HA GLU A 52 6.127 4.938 3.688 1.00 11.35 H new ATOM 0 HB2 GLU A 52 7.580 6.916 3.570 1.00 1.15 H new ATOM 0 HB3 GLU A 52 6.041 7.218 2.787 1.00 1.15 H new ATOM 0 HG2 GLU A 52 5.286 8.629 4.523 1.00 1.32 H new ATOM 0 HG3 GLU A 52 6.462 8.013 5.668 1.00 1.32 H new ATOM 847 N THR A 53 6.106 4.525 6.447 1.00 5.42 N ATOM 848 CA THR A 53 6.680 4.147 7.732 1.00 25.41 C ATOM 849 C THR A 53 5.939 2.959 8.336 1.00 51.01 C ATOM 850 O THR A 53 4.728 3.014 8.551 1.00 13.42 O ATOM 851 CB THR A 53 6.646 5.320 8.729 1.00 63.53 C ATOM 852 OG1 THR A 53 6.548 4.821 10.068 1.00 5.41 O ATOM 853 CG2 THR A 53 5.473 6.244 8.439 1.00 65.45 C ATOM 0 H THR A 53 5.265 4.007 6.192 1.00 5.42 H new ATOM 0 HA THR A 53 7.717 3.869 7.546 1.00 25.41 H new ATOM 0 HB THR A 53 7.570 5.888 8.620 1.00 63.53 H new ATOM 0 HG1 THR A 53 6.528 5.573 10.697 1.00 5.41 H new ATOM 0 HG21 THR A 53 5.470 7.065 9.156 1.00 65.45 H new ATOM 0 HG22 THR A 53 5.566 6.645 7.430 1.00 65.45 H new ATOM 0 HG23 THR A 53 4.541 5.686 8.523 1.00 65.45 H new ATOM 861 N SER A 54 6.675 1.886 8.608 1.00 24.42 N ATOM 862 CA SER A 54 6.086 0.683 9.185 1.00 33.22 C ATOM 863 C SER A 54 5.281 1.018 10.437 1.00 61.42 C ATOM 864 O SER A 54 4.244 0.410 10.701 1.00 54.52 O ATOM 865 CB SER A 54 7.179 -0.333 9.525 1.00 54.31 C ATOM 866 OG SER A 54 7.437 -0.357 10.918 1.00 71.34 O ATOM 0 H SER A 54 7.679 1.825 8.438 1.00 24.42 H new ATOM 0 HA SER A 54 5.412 0.249 8.446 1.00 33.22 H new ATOM 0 HB2 SER A 54 6.874 -1.325 9.191 1.00 54.31 H new ATOM 0 HB3 SER A 54 8.093 -0.082 8.987 1.00 54.31 H new ATOM 0 HG SER A 54 8.401 -0.442 11.071 1.00 71.34 H new ATOM 872 N GLU A 55 5.767 1.990 11.203 1.00 11.22 N ATOM 873 CA GLU A 55 5.093 2.406 12.427 1.00 70.34 C ATOM 874 C GLU A 55 3.900 3.304 12.114 1.00 31.24 C ATOM 875 O GLU A 55 2.945 3.379 12.886 1.00 31.15 O ATOM 876 CB GLU A 55 6.070 3.140 13.349 1.00 63.21 C ATOM 877 CG GLU A 55 6.158 2.540 14.743 1.00 34.24 C ATOM 878 CD GLU A 55 6.434 1.049 14.719 1.00 31.53 C ATOM 879 OE1 GLU A 55 7.588 0.664 14.436 1.00 40.11 O ATOM 880 OE2 GLU A 55 5.497 0.267 14.984 1.00 13.11 O ATOM 0 H GLU A 55 6.624 2.503 10.998 1.00 11.22 H new ATOM 0 HA GLU A 55 4.729 1.512 12.933 1.00 70.34 H new ATOM 0 HB2 GLU A 55 7.061 3.131 12.895 1.00 63.21 H new ATOM 0 HB3 GLU A 55 5.766 4.184 13.430 1.00 63.21 H new ATOM 0 HG2 GLU A 55 6.947 3.043 15.302 1.00 34.24 H new ATOM 0 HG3 GLU A 55 5.224 2.725 15.274 1.00 34.24 H new ATOM 887 N GLY A 56 3.963 3.985 10.973 1.00 1.40 N ATOM 888 CA GLY A 56 2.883 4.870 10.576 1.00 51.44 C ATOM 889 C GLY A 56 1.633 4.114 10.172 1.00 53.33 C ATOM 890 O GLY A 56 0.527 4.464 10.587 1.00 34.44 O ATOM 0 H GLY A 56 4.743 3.939 10.317 1.00 1.40 H new ATOM 0 HA2 GLY A 56 2.647 5.542 11.401 1.00 51.44 H new ATOM 0 HA3 GLY A 56 3.214 5.491 9.743 1.00 51.44 H new ATOM 894 N CYS A 57 1.808 3.078 9.361 1.00 25.24 N ATOM 895 CA CYS A 57 0.683 2.271 8.898 1.00 13.15 C ATOM 896 C CYS A 57 -0.077 1.672 10.076 1.00 2.43 C ATOM 897 O CYS A 57 -1.256 1.963 10.279 1.00 41.43 O ATOM 898 CB CYS A 57 1.175 1.157 7.972 1.00 62.44 C ATOM 899 SG CYS A 57 1.640 1.722 6.319 1.00 62.41 S ATOM 0 H CYS A 57 2.717 2.776 9.010 1.00 25.24 H new ATOM 0 HA CYS A 57 0.005 2.920 8.344 1.00 13.15 H new ATOM 0 HB2 CYS A 57 2.034 0.669 8.433 1.00 62.44 H new ATOM 0 HB3 CYS A 57 0.393 0.404 7.880 1.00 62.44 H new ATOM 0 HG CYS A 57 2.819 1.263 6.019 1.00 62.41 H new ATOM 905 N ARG A 58 0.604 0.832 10.848 1.00 3.44 N ATOM 906 CA ARG A 58 -0.009 0.190 12.004 1.00 65.34 C ATOM 907 C ARG A 58 -0.781 1.204 12.844 1.00 53.01 C ATOM 908 O ARG A 58 -1.864 0.910 13.347 1.00 25.13 O ATOM 909 CB ARG A 58 1.059 -0.492 12.861 1.00 52.43 C ATOM 910 CG ARG A 58 0.790 -1.966 13.112 1.00 11.14 C ATOM 911 CD ARG A 58 0.174 -2.195 14.483 1.00 51.31 C ATOM 912 NE ARG A 58 1.181 -2.538 15.485 1.00 53.20 N ATOM 913 CZ ARG A 58 0.925 -2.621 16.785 1.00 62.12 C ATOM 914 NH1 ARG A 58 -0.299 -2.388 17.240 1.00 75.31 N ATOM 915 NH2 ARG A 58 1.894 -2.937 17.634 1.00 60.45 N ATOM 0 H ARG A 58 1.580 0.580 10.694 1.00 3.44 H new ATOM 0 HA ARG A 58 -0.709 -0.563 11.641 1.00 65.34 H new ATOM 0 HB2 ARG A 58 2.027 -0.387 12.371 1.00 52.43 H new ATOM 0 HB3 ARG A 58 1.128 0.024 13.819 1.00 52.43 H new ATOM 0 HG2 ARG A 58 0.121 -2.351 12.343 1.00 11.14 H new ATOM 0 HG3 ARG A 58 1.722 -2.526 13.033 1.00 11.14 H new ATOM 0 HD2 ARG A 58 -0.358 -1.297 14.796 1.00 51.31 H new ATOM 0 HD3 ARG A 58 -0.563 -2.996 14.420 1.00 51.31 H new ATOM 0 HE ARG A 58 2.133 -2.724 15.168 1.00 53.20 H new ATOM 0 HH11 ARG A 58 -1.047 -2.144 16.590 1.00 75.31 H new ATOM 0 HH12 ARG A 58 -0.492 -2.453 18.239 1.00 75.31 H new ATOM 0 HH21 ARG A 58 2.837 -3.116 17.288 1.00 60.45 H new ATOM 0 HH22 ARG A 58 1.696 -3.001 18.633 1.00 60.45 H new ATOM 929 N GLN A 59 -0.212 2.396 12.993 1.00 62.14 N ATOM 930 CA GLN A 59 -0.846 3.452 13.773 1.00 40.24 C ATOM 931 C GLN A 59 -2.190 3.844 13.168 1.00 12.31 C ATOM 932 O GLN A 59 -3.163 4.071 13.888 1.00 43.02 O ATOM 933 CB GLN A 59 0.068 4.676 13.851 1.00 63.13 C ATOM 934 CG GLN A 59 -0.346 5.677 14.919 1.00 13.03 C ATOM 935 CD GLN A 59 -0.180 5.133 16.324 1.00 0.52 C ATOM 936 OE1 GLN A 59 0.432 4.086 16.529 1.00 35.25 O ATOM 937 NE2 GLN A 59 -0.727 5.846 17.303 1.00 22.24 N ATOM 0 H GLN A 59 0.686 2.654 12.584 1.00 62.14 H new ATOM 0 HA GLN A 59 -1.019 3.071 14.780 1.00 40.24 H new ATOM 0 HB2 GLN A 59 1.088 4.346 14.050 1.00 63.13 H new ATOM 0 HB3 GLN A 59 0.078 5.174 12.882 1.00 63.13 H new ATOM 0 HG2 GLN A 59 0.249 6.584 14.812 1.00 13.03 H new ATOM 0 HG3 GLN A 59 -1.387 5.959 14.763 1.00 13.03 H new ATOM 0 HE21 GLN A 59 -1.226 6.709 17.088 1.00 22.24 H new ATOM 0 HE22 GLN A 59 -0.648 5.530 18.270 1.00 22.24 H new ATOM 946 N ILE A 60 -2.236 3.922 11.843 1.00 34.32 N ATOM 947 CA ILE A 60 -3.461 4.286 11.141 1.00 15.31 C ATOM 948 C ILE A 60 -4.586 3.306 11.455 1.00 64.20 C ATOM 949 O ILE A 60 -5.711 3.710 11.751 1.00 43.12 O ATOM 950 CB ILE A 60 -3.245 4.331 9.617 1.00 12.22 C ATOM 951 CG1 ILE A 60 -2.170 5.361 9.262 1.00 22.32 C ATOM 952 CG2 ILE A 60 -4.550 4.654 8.906 1.00 44.25 C ATOM 953 CD1 ILE A 60 -1.423 5.039 7.987 1.00 53.41 C ATOM 0 H ILE A 60 -1.439 3.738 11.233 1.00 34.32 H new ATOM 0 HA ILE A 60 -3.740 5.280 11.489 1.00 15.31 H new ATOM 0 HB ILE A 60 -2.906 3.350 9.284 1.00 12.22 H new ATOM 0 HG12 ILE A 60 -2.636 6.341 9.163 1.00 22.32 H new ATOM 0 HG13 ILE A 60 -1.457 5.429 10.084 1.00 22.32 H new ATOM 0 HG21 ILE A 60 -4.381 4.682 7.830 1.00 44.25 H new ATOM 0 HG22 ILE A 60 -5.290 3.887 9.137 1.00 44.25 H new ATOM 0 HG23 ILE A 60 -4.916 5.624 9.241 1.00 44.25 H new ATOM 0 HD11 ILE A 60 -0.677 5.811 7.797 1.00 53.41 H new ATOM 0 HD12 ILE A 60 -0.928 4.073 8.089 1.00 53.41 H new ATOM 0 HD13 ILE A 60 -2.125 5.000 7.154 1.00 53.41 H new ATOM 965 N LEU A 61 -4.275 2.017 11.391 1.00 63.50 N ATOM 966 CA LEU A 61 -5.260 0.976 11.670 1.00 53.12 C ATOM 967 C LEU A 61 -5.789 1.097 13.095 1.00 3.30 C ATOM 968 O LEU A 61 -6.997 1.173 13.315 1.00 24.23 O ATOM 969 CB LEU A 61 -4.642 -0.407 11.459 1.00 64.23 C ATOM 970 CG LEU A 61 -3.917 -0.623 10.131 1.00 3.22 C ATOM 971 CD1 LEU A 61 -3.085 -1.896 10.177 1.00 41.20 C ATOM 972 CD2 LEU A 61 -4.913 -0.677 8.981 1.00 40.31 C ATOM 0 H LEU A 61 -3.348 1.666 11.148 1.00 63.50 H new ATOM 0 HA LEU A 61 -6.094 1.104 10.980 1.00 53.12 H new ATOM 0 HB2 LEU A 61 -3.938 -0.595 12.269 1.00 64.23 H new ATOM 0 HB3 LEU A 61 -5.432 -1.153 11.544 1.00 64.23 H new ATOM 0 HG LEU A 61 -3.246 0.220 9.965 1.00 3.22 H new ATOM 0 HD11 LEU A 61 -2.576 -2.033 9.223 1.00 41.20 H new ATOM 0 HD12 LEU A 61 -2.346 -1.819 10.974 1.00 41.20 H new ATOM 0 HD13 LEU A 61 -3.736 -2.749 10.367 1.00 41.20 H new ATOM 0 HD21 LEU A 61 -4.378 -0.831 8.044 1.00 40.31 H new ATOM 0 HD22 LEU A 61 -5.610 -1.500 9.141 1.00 40.31 H new ATOM 0 HD23 LEU A 61 -5.465 0.262 8.934 1.00 40.31 H new ATOM 984 N GLY A 62 -4.876 1.118 14.061 1.00 64.15 N ATOM 985 CA GLY A 62 -5.271 1.232 15.453 1.00 52.34 C ATOM 986 C GLY A 62 -6.156 2.435 15.708 1.00 53.43 C ATOM 987 O GLY A 62 -7.068 2.380 16.532 1.00 12.00 O ATOM 0 H GLY A 62 -3.870 1.058 13.905 1.00 64.15 H new ATOM 0 HA2 GLY A 62 -5.799 0.327 15.753 1.00 52.34 H new ATOM 0 HA3 GLY A 62 -4.379 1.302 16.076 1.00 52.34 H new ATOM 991 N GLN A 63 -5.885 3.528 15.000 1.00 73.43 N ATOM 992 CA GLN A 63 -6.663 4.751 15.156 1.00 14.21 C ATOM 993 C GLN A 63 -7.981 4.659 14.395 1.00 22.32 C ATOM 994 O GLN A 63 -8.987 5.242 14.802 1.00 12.42 O ATOM 995 CB GLN A 63 -5.860 5.957 14.665 1.00 14.32 C ATOM 996 CG GLN A 63 -5.093 6.668 15.768 1.00 64.31 C ATOM 997 CD GLN A 63 -6.006 7.298 16.801 1.00 24.54 C ATOM 998 OE1 GLN A 63 -5.861 7.063 18.001 1.00 2.21 O ATOM 999 NE2 GLN A 63 -6.956 8.104 16.340 1.00 23.33 N ATOM 0 H GLN A 63 -5.133 3.591 14.314 1.00 73.43 H new ATOM 0 HA GLN A 63 -6.885 4.878 16.216 1.00 14.21 H new ATOM 0 HB2 GLN A 63 -5.157 5.628 13.900 1.00 14.32 H new ATOM 0 HB3 GLN A 63 -6.539 6.666 14.191 1.00 14.32 H new ATOM 0 HG2 GLN A 63 -4.430 5.957 16.260 1.00 64.31 H new ATOM 0 HG3 GLN A 63 -4.462 7.440 15.327 1.00 64.31 H new ATOM 0 HE21 GLN A 63 -7.041 8.271 15.337 1.00 23.33 H new ATOM 0 HE22 GLN A 63 -7.601 8.556 16.989 1.00 23.33 H new ATOM 1008 N LEU A 64 -7.970 3.923 13.290 1.00 0.24 N ATOM 1009 CA LEU A 64 -9.166 3.754 12.470 1.00 14.12 C ATOM 1010 C LEU A 64 -10.104 2.720 13.084 1.00 22.14 C ATOM 1011 O LEU A 64 -11.307 2.728 12.822 1.00 50.40 O ATOM 1012 CB LEU A 64 -8.780 3.332 11.052 1.00 33.31 C ATOM 1013 CG LEU A 64 -8.371 4.459 10.103 1.00 61.33 C ATOM 1014 CD1 LEU A 64 -8.026 3.903 8.730 1.00 42.44 C ATOM 1015 CD2 LEU A 64 -9.480 5.496 9.998 1.00 34.14 C ATOM 0 H LEU A 64 -7.147 3.433 12.940 1.00 0.24 H new ATOM 0 HA LEU A 64 -9.687 4.710 12.428 1.00 14.12 H new ATOM 0 HB2 LEU A 64 -7.955 2.622 11.118 1.00 33.31 H new ATOM 0 HB3 LEU A 64 -9.623 2.801 10.611 1.00 33.31 H new ATOM 0 HG LEU A 64 -7.483 4.945 10.508 1.00 61.33 H new ATOM 0 HD11 LEU A 64 -7.737 4.720 8.069 1.00 42.44 H new ATOM 0 HD12 LEU A 64 -7.198 3.199 8.820 1.00 42.44 H new ATOM 0 HD13 LEU A 64 -8.895 3.391 8.316 1.00 42.44 H new ATOM 0 HD21 LEU A 64 -9.172 6.291 9.319 1.00 34.14 H new ATOM 0 HD22 LEU A 64 -10.385 5.023 9.617 1.00 34.14 H new ATOM 0 HD23 LEU A 64 -9.678 5.918 10.983 1.00 34.14 H new ATOM 1027 N GLN A 65 -9.545 1.833 13.902 1.00 25.02 N ATOM 1028 CA GLN A 65 -10.334 0.794 14.553 1.00 4.30 C ATOM 1029 C GLN A 65 -11.608 1.376 15.158 1.00 25.00 C ATOM 1030 O GLN A 65 -12.724 1.004 14.791 1.00 52.22 O ATOM 1031 CB GLN A 65 -9.509 0.104 15.641 1.00 12.41 C ATOM 1032 CG GLN A 65 -9.253 -1.370 15.368 1.00 51.45 C ATOM 1033 CD GLN A 65 -8.697 -2.099 16.576 1.00 12.41 C ATOM 1034 OE1 GLN A 65 -7.509 -2.417 16.630 1.00 3.33 O ATOM 1035 NE2 GLN A 65 -9.555 -2.366 17.553 1.00 30.11 N ATOM 0 H GLN A 65 -8.551 1.813 14.129 1.00 25.02 H new ATOM 0 HA GLN A 65 -10.614 0.060 13.798 1.00 4.30 H new ATOM 0 HB2 GLN A 65 -8.553 0.618 15.741 1.00 12.41 H new ATOM 0 HB3 GLN A 65 -10.026 0.204 16.595 1.00 12.41 H new ATOM 0 HG2 GLN A 65 -10.184 -1.845 15.058 1.00 51.45 H new ATOM 0 HG3 GLN A 65 -8.554 -1.466 14.537 1.00 51.45 H new ATOM 0 HE21 GLN A 65 -10.531 -2.084 17.466 1.00 30.11 H new ATOM 0 HE22 GLN A 65 -9.238 -2.853 18.391 1.00 30.11 H new ATOM 1044 N PRO A 66 -11.441 2.309 16.106 1.00 32.41 N ATOM 1045 CA PRO A 66 -12.566 2.961 16.781 1.00 44.42 C ATOM 1046 C PRO A 66 -13.333 3.900 15.855 1.00 24.50 C ATOM 1047 O PRO A 66 -14.377 4.437 16.225 1.00 71.42 O ATOM 1048 CB PRO A 66 -11.895 3.753 17.907 1.00 23.15 C ATOM 1049 CG PRO A 66 -10.508 3.999 17.421 1.00 1.00 C ATOM 1050 CD PRO A 66 -10.141 2.799 16.592 1.00 52.31 C ATOM 0 HA PRO A 66 -13.304 2.239 17.130 1.00 44.42 H new ATOM 0 HB2 PRO A 66 -12.419 4.689 18.100 1.00 23.15 H new ATOM 0 HB3 PRO A 66 -11.894 3.190 18.841 1.00 23.15 H new ATOM 0 HG2 PRO A 66 -10.458 4.913 16.829 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -9.818 4.122 18.256 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -9.479 3.067 15.768 1.00 52.31 H new ATOM 0 HD3 PRO A 66 -9.623 2.045 17.184 1.00 52.31 H new ATOM 1058 N SER A 67 -12.809 4.092 14.649 1.00 54.50 N ATOM 1059 CA SER A 67 -13.442 4.968 13.671 1.00 43.30 C ATOM 1060 C SER A 67 -14.300 4.165 12.698 1.00 5.20 C ATOM 1061 O SER A 67 -15.233 4.694 12.091 1.00 64.12 O ATOM 1062 CB SER A 67 -12.383 5.759 12.901 1.00 52.32 C ATOM 1063 OG SER A 67 -11.654 6.612 13.767 1.00 13.42 O ATOM 0 H SER A 67 -11.947 3.652 14.326 1.00 54.50 H new ATOM 0 HA SER A 67 -14.086 5.665 14.208 1.00 43.30 H new ATOM 0 HB2 SER A 67 -11.700 5.070 12.404 1.00 52.32 H new ATOM 0 HB3 SER A 67 -12.862 6.351 12.121 1.00 52.32 H new ATOM 0 HG SER A 67 -10.840 6.156 14.067 1.00 13.42 H new ATOM 1069 N LEU A 68 -13.978 2.885 12.553 1.00 73.41 N ATOM 1070 CA LEU A 68 -14.718 2.006 11.653 1.00 50.34 C ATOM 1071 C LEU A 68 -16.214 2.061 11.948 1.00 31.11 C ATOM 1072 O LEU A 68 -17.037 1.766 11.082 1.00 5.24 O ATOM 1073 CB LEU A 68 -14.213 0.568 11.784 1.00 21.00 C ATOM 1074 CG LEU A 68 -12.804 0.302 11.254 1.00 21.42 C ATOM 1075 CD1 LEU A 68 -12.179 -0.883 11.973 1.00 40.24 C ATOM 1076 CD2 LEU A 68 -12.836 0.058 9.752 1.00 3.25 C ATOM 0 H LEU A 68 -13.209 2.432 13.047 1.00 73.41 H new ATOM 0 HA LEU A 68 -14.555 2.350 10.632 1.00 50.34 H new ATOM 0 HB2 LEU A 68 -14.243 0.288 12.837 1.00 21.00 H new ATOM 0 HB3 LEU A 68 -14.907 -0.089 11.260 1.00 21.00 H new ATOM 0 HG LEU A 68 -12.192 1.183 11.447 1.00 21.42 H new ATOM 0 HD11 LEU A 68 -11.176 -1.058 11.583 1.00 40.24 H new ATOM 0 HD12 LEU A 68 -12.121 -0.671 13.041 1.00 40.24 H new ATOM 0 HD13 LEU A 68 -12.791 -1.770 11.812 1.00 40.24 H new ATOM 0 HD21 LEU A 68 -11.824 -0.130 9.392 1.00 3.25 H new ATOM 0 HD22 LEU A 68 -13.464 -0.807 9.537 1.00 3.25 H new ATOM 0 HD23 LEU A 68 -13.243 0.935 9.249 1.00 3.25 H new ATOM 1088 N GLN A 69 -16.557 2.443 13.174 1.00 42.01 N ATOM 1089 CA GLN A 69 -17.954 2.538 13.581 1.00 50.22 C ATOM 1090 C GLN A 69 -18.558 3.869 13.146 1.00 50.32 C ATOM 1091 O GLN A 69 -19.708 3.928 12.708 1.00 54.31 O ATOM 1092 CB GLN A 69 -18.077 2.379 15.097 1.00 75.23 C ATOM 1093 CG GLN A 69 -19.498 2.539 15.613 1.00 24.55 C ATOM 1094 CD GLN A 69 -19.645 3.706 16.568 1.00 2.21 C ATOM 1095 OE1 GLN A 69 -18.725 4.027 17.320 1.00 61.21 O ATOM 1096 NE2 GLN A 69 -20.807 4.348 16.543 1.00 43.23 N ATOM 0 H GLN A 69 -15.887 2.692 13.902 1.00 42.01 H new ATOM 0 HA GLN A 69 -18.504 1.734 13.093 1.00 50.22 H new ATOM 0 HB2 GLN A 69 -17.705 1.395 15.382 1.00 75.23 H new ATOM 0 HB3 GLN A 69 -17.438 3.115 15.584 1.00 75.23 H new ATOM 0 HG2 GLN A 69 -20.173 2.678 14.769 1.00 24.55 H new ATOM 0 HG3 GLN A 69 -19.803 1.622 16.117 1.00 24.55 H new ATOM 0 HE21 GLN A 69 -21.542 4.047 15.903 1.00 43.23 H new ATOM 0 HE22 GLN A 69 -20.964 5.142 17.164 1.00 43.23 H new ATOM 1105 N THR A 70 -17.777 4.937 13.272 1.00 31.05 N ATOM 1106 CA THR A 70 -18.235 6.268 12.894 1.00 2.43 C ATOM 1107 C THR A 70 -18.198 6.453 11.381 1.00 11.22 C ATOM 1108 O THR A 70 -19.197 6.825 10.766 1.00 53.13 O ATOM 1109 CB THR A 70 -17.380 7.366 13.555 1.00 22.24 C ATOM 1110 OG1 THR A 70 -17.174 7.059 14.939 1.00 3.42 O ATOM 1111 CG2 THR A 70 -18.050 8.725 13.425 1.00 53.43 C ATOM 0 H THR A 70 -16.824 4.906 13.633 1.00 31.05 H new ATOM 0 HA THR A 70 -19.263 6.359 13.244 1.00 2.43 H new ATOM 0 HB THR A 70 -16.418 7.404 13.045 1.00 22.24 H new ATOM 0 HG1 THR A 70 -16.628 7.760 15.352 1.00 3.42 H new ATOM 0 HG21 THR A 70 -17.428 9.484 13.899 1.00 53.43 H new ATOM 0 HG22 THR A 70 -18.178 8.968 12.370 1.00 53.43 H new ATOM 0 HG23 THR A 70 -19.025 8.698 13.912 1.00 53.43 H new ATOM 1119 N GLY A 71 -17.038 6.191 10.785 1.00 12.43 N ATOM 1120 CA GLY A 71 -16.892 6.335 9.349 1.00 24.23 C ATOM 1121 C GLY A 71 -17.752 5.352 8.578 1.00 22.10 C ATOM 1122 O GLY A 71 -18.351 4.450 9.163 1.00 24.41 O ATOM 0 H GLY A 71 -16.197 5.882 11.272 1.00 12.43 H new ATOM 0 HA2 GLY A 71 -17.159 7.351 9.060 1.00 24.23 H new ATOM 0 HA3 GLY A 71 -15.847 6.190 9.077 1.00 24.23 H new ATOM 1126 N SER A 72 -17.813 5.528 7.262 1.00 61.42 N ATOM 1127 CA SER A 72 -18.610 4.652 6.411 1.00 2.15 C ATOM 1128 C SER A 72 -17.737 3.584 5.761 1.00 35.45 C ATOM 1129 O SER A 72 -16.592 3.375 6.161 1.00 61.55 O ATOM 1130 CB SER A 72 -19.326 5.468 5.332 1.00 61.52 C ATOM 1131 OG SER A 72 -18.423 5.878 4.320 1.00 3.14 O ATOM 0 H SER A 72 -17.321 6.268 6.762 1.00 61.42 H new ATOM 0 HA SER A 72 -19.353 4.157 7.036 1.00 2.15 H new ATOM 0 HB2 SER A 72 -20.125 4.872 4.891 1.00 61.52 H new ATOM 0 HB3 SER A 72 -19.793 6.343 5.783 1.00 61.52 H new ATOM 0 HG SER A 72 -18.905 6.396 3.642 1.00 3.14 H new ATOM 1137 N GLU A 73 -18.285 2.911 4.753 1.00 43.13 N ATOM 1138 CA GLU A 73 -17.556 1.864 4.048 1.00 20.23 C ATOM 1139 C GLU A 73 -16.299 2.425 3.390 1.00 53.01 C ATOM 1140 O GLU A 73 -15.369 1.684 3.074 1.00 52.04 O ATOM 1141 CB GLU A 73 -18.450 1.212 2.991 1.00 10.23 C ATOM 1142 CG GLU A 73 -19.541 0.331 3.575 1.00 64.35 C ATOM 1143 CD GLU A 73 -18.986 -0.804 4.415 1.00 62.44 C ATOM 1144 OE1 GLU A 73 -18.214 -1.622 3.872 1.00 40.24 O ATOM 1145 OE2 GLU A 73 -19.325 -0.874 5.615 1.00 65.11 O ATOM 0 H GLU A 73 -19.231 3.073 4.407 1.00 43.13 H new ATOM 0 HA GLU A 73 -17.259 1.110 4.777 1.00 20.23 H new ATOM 0 HB2 GLU A 73 -18.911 1.993 2.385 1.00 10.23 H new ATOM 0 HB3 GLU A 73 -17.831 0.614 2.323 1.00 10.23 H new ATOM 0 HG2 GLU A 73 -20.206 0.940 4.187 1.00 64.35 H new ATOM 0 HG3 GLU A 73 -20.142 -0.082 2.765 1.00 64.35 H new ATOM 1152 N GLU A 74 -16.279 3.738 3.188 1.00 3.13 N ATOM 1153 CA GLU A 74 -15.137 4.398 2.567 1.00 12.01 C ATOM 1154 C GLU A 74 -13.906 4.317 3.466 1.00 25.22 C ATOM 1155 O GLU A 74 -12.772 4.396 2.993 1.00 62.33 O ATOM 1156 CB GLU A 74 -15.467 5.862 2.267 1.00 53.55 C ATOM 1157 CG GLU A 74 -15.550 6.176 0.783 1.00 53.30 C ATOM 1158 CD GLU A 74 -16.806 5.623 0.139 1.00 5.34 C ATOM 1159 OE1 GLU A 74 -17.895 6.183 0.385 1.00 71.20 O ATOM 1160 OE2 GLU A 74 -16.700 4.630 -0.611 1.00 15.34 O ATOM 0 H GLU A 74 -17.041 4.366 3.445 1.00 3.13 H new ATOM 0 HA GLU A 74 -14.917 3.883 1.632 1.00 12.01 H new ATOM 0 HB2 GLU A 74 -16.417 6.115 2.737 1.00 53.55 H new ATOM 0 HB3 GLU A 74 -14.707 6.497 2.722 1.00 53.55 H new ATOM 0 HG2 GLU A 74 -15.519 7.256 0.642 1.00 53.30 H new ATOM 0 HG3 GLU A 74 -14.676 5.764 0.279 1.00 53.30 H new ATOM 1167 N LEU A 75 -14.139 4.158 4.764 1.00 70.42 N ATOM 1168 CA LEU A 75 -13.051 4.065 5.731 1.00 22.34 C ATOM 1169 C LEU A 75 -12.562 2.626 5.864 1.00 65.11 C ATOM 1170 O LEU A 75 -11.373 2.381 6.067 1.00 62.01 O ATOM 1171 CB LEU A 75 -13.506 4.590 7.093 1.00 43.12 C ATOM 1172 CG LEU A 75 -12.402 4.831 8.123 1.00 62.21 C ATOM 1173 CD1 LEU A 75 -12.495 6.242 8.685 1.00 21.22 C ATOM 1174 CD2 LEU A 75 -12.483 3.803 9.242 1.00 51.35 C ATOM 0 H LEU A 75 -15.072 4.091 5.171 1.00 70.42 H new ATOM 0 HA LEU A 75 -12.225 4.678 5.371 1.00 22.34 H new ATOM 0 HB2 LEU A 75 -14.042 5.527 6.938 1.00 43.12 H new ATOM 0 HB3 LEU A 75 -14.219 3.881 7.514 1.00 43.12 H new ATOM 0 HG LEU A 75 -11.438 4.723 7.626 1.00 62.21 H new ATOM 0 HD11 LEU A 75 -11.701 6.395 9.416 1.00 21.22 H new ATOM 0 HD12 LEU A 75 -12.387 6.964 7.876 1.00 21.22 H new ATOM 0 HD13 LEU A 75 -13.463 6.379 9.166 1.00 21.22 H new ATOM 0 HD21 LEU A 75 -11.690 3.990 9.966 1.00 51.35 H new ATOM 0 HD22 LEU A 75 -13.451 3.879 9.737 1.00 51.35 H new ATOM 0 HD23 LEU A 75 -12.366 2.802 8.826 1.00 51.35 H new ATOM 1186 N ARG A 76 -13.488 1.679 5.748 1.00 73.24 N ATOM 1187 CA ARG A 76 -13.150 0.265 5.855 1.00 45.11 C ATOM 1188 C ARG A 76 -12.086 -0.119 4.831 1.00 62.43 C ATOM 1189 O ARG A 76 -11.117 -0.805 5.155 1.00 63.45 O ATOM 1190 CB ARG A 76 -14.399 -0.596 5.656 1.00 43.44 C ATOM 1191 CG ARG A 76 -14.652 -1.575 6.790 1.00 62.12 C ATOM 1192 CD ARG A 76 -13.534 -2.599 6.901 1.00 72.31 C ATOM 1193 NE ARG A 76 -14.045 -3.940 7.172 1.00 31.53 N ATOM 1194 CZ ARG A 76 -13.271 -5.016 7.271 1.00 4.45 C ATOM 1195 NH1 ARG A 76 -11.958 -4.908 7.123 1.00 42.51 N ATOM 1196 NH2 ARG A 76 -13.810 -6.203 7.518 1.00 45.20 N ATOM 0 H ARG A 76 -14.477 1.865 5.580 1.00 73.24 H new ATOM 0 HA ARG A 76 -12.750 0.087 6.853 1.00 45.11 H new ATOM 0 HB2 ARG A 76 -15.266 0.056 5.550 1.00 43.44 H new ATOM 0 HB3 ARG A 76 -14.302 -1.151 4.723 1.00 43.44 H new ATOM 0 HG2 ARG A 76 -14.742 -1.030 7.730 1.00 62.12 H new ATOM 0 HG3 ARG A 76 -15.600 -2.086 6.626 1.00 62.12 H new ATOM 0 HD2 ARG A 76 -12.960 -2.610 5.975 1.00 72.31 H new ATOM 0 HD3 ARG A 76 -12.850 -2.304 7.697 1.00 72.31 H new ATOM 0 HE ARG A 76 -15.051 -4.057 7.292 1.00 31.53 H new ATOM 0 HH11 ARG A 76 -11.539 -3.998 6.933 1.00 42.51 H new ATOM 0 HH12 ARG A 76 -11.366 -5.735 7.199 1.00 42.51 H new ATOM 0 HH21 ARG A 76 -14.820 -6.291 7.632 1.00 45.20 H new ATOM 0 HH22 ARG A 76 -13.215 -7.028 7.594 1.00 45.20 H new ATOM 1210 N SER A 77 -12.275 0.327 3.594 1.00 3.51 N ATOM 1211 CA SER A 77 -11.334 0.026 2.521 1.00 62.01 C ATOM 1212 C SER A 77 -9.911 0.394 2.928 1.00 71.02 C ATOM 1213 O SER A 77 -8.966 -0.352 2.669 1.00 35.51 O ATOM 1214 CB SER A 77 -11.723 0.779 1.247 1.00 51.33 C ATOM 1215 OG SER A 77 -12.425 1.971 1.553 1.00 30.22 O ATOM 0 H SER A 77 -13.071 0.898 3.309 1.00 3.51 H new ATOM 0 HA SER A 77 -11.372 -1.046 2.327 1.00 62.01 H new ATOM 0 HB2 SER A 77 -10.827 1.018 0.674 1.00 51.33 H new ATOM 0 HB3 SER A 77 -12.342 0.140 0.618 1.00 51.33 H new ATOM 0 HG SER A 77 -12.154 2.679 0.932 1.00 30.22 H new ATOM 1221 N LEU A 78 -9.765 1.550 3.566 1.00 51.02 N ATOM 1222 CA LEU A 78 -8.457 2.019 4.011 1.00 14.13 C ATOM 1223 C LEU A 78 -7.810 1.014 4.959 1.00 21.45 C ATOM 1224 O LEU A 78 -6.674 0.588 4.748 1.00 41.54 O ATOM 1225 CB LEU A 78 -8.587 3.378 4.701 1.00 60.51 C ATOM 1226 CG LEU A 78 -8.075 4.584 3.913 1.00 25.30 C ATOM 1227 CD1 LEU A 78 -6.662 4.332 3.410 1.00 72.04 C ATOM 1228 CD2 LEU A 78 -9.008 4.896 2.752 1.00 3.54 C ATOM 0 H LEU A 78 -10.536 2.180 3.787 1.00 51.02 H new ATOM 0 HA LEU A 78 -7.819 2.124 3.133 1.00 14.13 H new ATOM 0 HB2 LEU A 78 -9.638 3.544 4.937 1.00 60.51 H new ATOM 0 HB3 LEU A 78 -8.050 3.334 5.649 1.00 60.51 H new ATOM 0 HG LEU A 78 -8.053 5.447 4.579 1.00 25.30 H new ATOM 0 HD11 LEU A 78 -6.314 5.201 2.851 1.00 72.04 H new ATOM 0 HD12 LEU A 78 -6.000 4.157 4.258 1.00 72.04 H new ATOM 0 HD13 LEU A 78 -6.658 3.457 2.760 1.00 72.04 H new ATOM 0 HD21 LEU A 78 -8.629 5.757 2.202 1.00 3.54 H new ATOM 0 HD22 LEU A 78 -9.061 4.035 2.086 1.00 3.54 H new ATOM 0 HD23 LEU A 78 -10.003 5.120 3.135 1.00 3.54 H new ATOM 1240 N TYR A 79 -8.543 0.636 6.000 1.00 15.32 N ATOM 1241 CA TYR A 79 -8.042 -0.320 6.981 1.00 12.22 C ATOM 1242 C TYR A 79 -7.496 -1.568 6.295 1.00 64.20 C ATOM 1243 O TYR A 79 -6.400 -2.032 6.605 1.00 1.10 O ATOM 1244 CB TYR A 79 -9.150 -0.704 7.962 1.00 72.50 C ATOM 1245 CG TYR A 79 -8.636 -1.285 9.260 1.00 32.12 C ATOM 1246 CD1 TYR A 79 -8.003 -2.521 9.289 1.00 20.54 C ATOM 1247 CD2 TYR A 79 -8.781 -0.595 10.458 1.00 25.42 C ATOM 1248 CE1 TYR A 79 -7.532 -3.055 10.472 1.00 51.35 C ATOM 1249 CE2 TYR A 79 -8.312 -1.121 11.646 1.00 32.02 C ATOM 1250 CZ TYR A 79 -7.689 -2.351 11.649 1.00 15.35 C ATOM 1251 OH TYR A 79 -7.220 -2.879 12.829 1.00 52.24 O ATOM 0 H TYR A 79 -9.486 0.977 6.187 1.00 15.32 H new ATOM 0 HA TYR A 79 -7.229 0.154 7.531 1.00 12.22 H new ATOM 0 HB2 TYR A 79 -9.751 0.178 8.182 1.00 72.50 H new ATOM 0 HB3 TYR A 79 -9.810 -1.429 7.486 1.00 72.50 H new ATOM 0 HD1 TYR A 79 -7.877 -3.074 8.370 1.00 20.54 H new ATOM 0 HD2 TYR A 79 -9.269 0.369 10.460 1.00 25.42 H new ATOM 0 HE1 TYR A 79 -7.043 -4.018 10.476 1.00 51.35 H new ATOM 0 HE2 TYR A 79 -8.433 -0.572 12.568 1.00 32.02 H new ATOM 0 HH TYR A 79 -6.678 -2.209 13.295 1.00 52.24 H new ATOM 1261 N ASN A 80 -8.272 -2.108 5.361 1.00 14.13 N ATOM 1262 CA ASN A 80 -7.869 -3.304 4.629 1.00 74.42 C ATOM 1263 C ASN A 80 -6.644 -3.025 3.763 1.00 64.22 C ATOM 1264 O ASN A 80 -5.906 -3.940 3.397 1.00 61.02 O ATOM 1265 CB ASN A 80 -9.020 -3.807 3.756 1.00 41.25 C ATOM 1266 CG ASN A 80 -9.816 -4.909 4.428 1.00 33.21 C ATOM 1267 OD1 ASN A 80 -9.616 -5.206 5.606 1.00 53.34 O ATOM 1268 ND2 ASN A 80 -10.723 -5.524 3.679 1.00 60.11 N ATOM 0 H ASN A 80 -9.183 -1.737 5.093 1.00 14.13 H new ATOM 0 HA ASN A 80 -7.611 -4.074 5.356 1.00 74.42 H new ATOM 0 HB2 ASN A 80 -9.684 -2.975 3.520 1.00 41.25 H new ATOM 0 HB3 ASN A 80 -8.621 -4.175 2.811 1.00 41.25 H new ATOM 0 HD21 ASN A 80 -11.288 -6.275 4.076 1.00 60.11 H new ATOM 0 HD22 ASN A 80 -10.855 -5.245 2.707 1.00 60.11 H new ATOM 1275 N THR A 81 -6.433 -1.753 3.439 1.00 15.41 N ATOM 1276 CA THR A 81 -5.298 -1.352 2.616 1.00 25.31 C ATOM 1277 C THR A 81 -4.037 -1.193 3.457 1.00 62.10 C ATOM 1278 O THR A 81 -3.074 -1.944 3.297 1.00 41.11 O ATOM 1279 CB THR A 81 -5.580 -0.030 1.877 1.00 51.04 C ATOM 1280 OG1 THR A 81 -6.855 -0.091 1.231 1.00 32.44 O ATOM 1281 CG2 THR A 81 -4.497 0.256 0.849 1.00 54.52 C ATOM 0 H THR A 81 -7.033 -0.983 3.734 1.00 15.41 H new ATOM 0 HA THR A 81 -5.144 -2.144 1.883 1.00 25.31 H new ATOM 0 HB THR A 81 -5.585 0.776 2.610 1.00 51.04 H new ATOM 0 HG1 THR A 81 -7.557 0.158 1.868 1.00 32.44 H new ATOM 0 HG21 THR A 81 -4.717 1.194 0.340 1.00 54.52 H new ATOM 0 HG22 THR A 81 -3.532 0.333 1.349 1.00 54.52 H new ATOM 0 HG23 THR A 81 -4.465 -0.554 0.120 1.00 54.52 H new ATOM 1289 N ILE A 82 -4.050 -0.213 4.354 1.00 71.32 N ATOM 1290 CA ILE A 82 -2.907 0.043 5.222 1.00 61.21 C ATOM 1291 C ILE A 82 -2.388 -1.250 5.842 1.00 31.42 C ATOM 1292 O ILE A 82 -1.180 -1.442 5.981 1.00 71.22 O ATOM 1293 CB ILE A 82 -3.264 1.031 6.348 1.00 64.22 C ATOM 1294 CG1 ILE A 82 -3.664 2.385 5.760 1.00 24.21 C ATOM 1295 CG2 ILE A 82 -2.094 1.188 7.306 1.00 51.21 C ATOM 1296 CD1 ILE A 82 -5.012 2.878 6.241 1.00 10.44 C ATOM 0 H ILE A 82 -4.839 0.417 4.499 1.00 71.32 H new ATOM 0 HA ILE A 82 -2.129 0.483 4.598 1.00 61.21 H new ATOM 0 HB ILE A 82 -4.112 0.633 6.905 1.00 64.22 H new ATOM 0 HG12 ILE A 82 -2.904 3.123 6.017 1.00 24.21 H new ATOM 0 HG13 ILE A 82 -3.681 2.309 4.673 1.00 24.21 H new ATOM 0 HG21 ILE A 82 -2.362 1.889 8.096 1.00 51.21 H new ATOM 0 HG22 ILE A 82 -1.852 0.221 7.746 1.00 51.21 H new ATOM 0 HG23 ILE A 82 -1.228 1.567 6.763 1.00 51.21 H new ATOM 0 HD11 ILE A 82 -5.231 3.843 5.784 1.00 10.44 H new ATOM 0 HD12 ILE A 82 -5.783 2.160 5.961 1.00 10.44 H new ATOM 0 HD13 ILE A 82 -4.994 2.986 7.325 1.00 10.44 H new ATOM 1308 N ALA A 83 -3.308 -2.135 6.210 1.00 52.10 N ATOM 1309 CA ALA A 83 -2.943 -3.412 6.810 1.00 52.24 C ATOM 1310 C ALA A 83 -2.016 -4.205 5.896 1.00 30.25 C ATOM 1311 O ALA A 83 -1.084 -4.864 6.358 1.00 4.04 O ATOM 1312 CB ALA A 83 -4.191 -4.222 7.130 1.00 4.32 C ATOM 0 H ALA A 83 -4.312 -1.991 6.103 1.00 52.10 H new ATOM 0 HA ALA A 83 -2.408 -3.208 7.737 1.00 52.24 H new ATOM 0 HB1 ALA A 83 -3.903 -5.173 7.578 1.00 4.32 H new ATOM 0 HB2 ALA A 83 -4.816 -3.667 7.829 1.00 4.32 H new ATOM 0 HB3 ALA A 83 -4.750 -4.407 6.213 1.00 4.32 H new ATOM 1318 N VAL A 84 -2.277 -4.136 4.594 1.00 71.12 N ATOM 1319 CA VAL A 84 -1.465 -4.848 3.613 1.00 41.11 C ATOM 1320 C VAL A 84 -0.166 -4.103 3.333 1.00 35.24 C ATOM 1321 O VAL A 84 0.837 -4.705 2.944 1.00 1.33 O ATOM 1322 CB VAL A 84 -2.228 -5.044 2.290 1.00 11.33 C ATOM 1323 CG1 VAL A 84 -1.385 -5.832 1.299 1.00 12.10 C ATOM 1324 CG2 VAL A 84 -3.559 -5.736 2.539 1.00 62.12 C ATOM 0 H VAL A 84 -3.044 -3.595 4.194 1.00 71.12 H new ATOM 0 HA VAL A 84 -1.236 -5.825 4.039 1.00 41.11 H new ATOM 0 HB VAL A 84 -2.430 -4.063 1.859 1.00 11.33 H new ATOM 0 HG11 VAL A 84 -1.941 -5.961 0.370 1.00 12.10 H new ATOM 0 HG12 VAL A 84 -0.460 -5.291 1.097 1.00 12.10 H new ATOM 0 HG13 VAL A 84 -1.149 -6.810 1.719 1.00 12.10 H new ATOM 0 HG21 VAL A 84 -4.084 -5.866 1.593 1.00 62.12 H new ATOM 0 HG22 VAL A 84 -3.383 -6.711 2.993 1.00 62.12 H new ATOM 0 HG23 VAL A 84 -4.165 -5.128 3.210 1.00 62.12 H new ATOM 1334 N LEU A 85 -0.187 -2.790 3.532 1.00 54.53 N ATOM 1335 CA LEU A 85 0.992 -1.961 3.301 1.00 44.00 C ATOM 1336 C LEU A 85 2.033 -2.179 4.393 1.00 62.25 C ATOM 1337 O LEU A 85 3.235 -2.177 4.128 1.00 31.51 O ATOM 1338 CB LEU A 85 0.597 -0.484 3.244 1.00 53.33 C ATOM 1339 CG LEU A 85 1.742 0.509 3.049 1.00 13.42 C ATOM 1340 CD1 LEU A 85 2.609 0.099 1.868 1.00 73.21 C ATOM 1341 CD2 LEU A 85 1.200 1.917 2.850 1.00 11.11 C ATOM 0 H LEU A 85 -1.007 -2.276 3.853 1.00 54.53 H new ATOM 0 HA LEU A 85 1.429 -2.251 2.346 1.00 44.00 H new ATOM 0 HB2 LEU A 85 -0.116 -0.350 2.430 1.00 53.33 H new ATOM 0 HB3 LEU A 85 0.077 -0.232 4.168 1.00 53.33 H new ATOM 0 HG LEU A 85 2.359 0.502 3.947 1.00 13.42 H new ATOM 0 HD11 LEU A 85 3.419 0.818 1.744 1.00 73.21 H new ATOM 0 HD12 LEU A 85 3.027 -0.891 2.050 1.00 73.21 H new ATOM 0 HD13 LEU A 85 2.003 0.076 0.962 1.00 73.21 H new ATOM 0 HD21 LEU A 85 2.030 2.610 2.713 1.00 11.11 H new ATOM 0 HD22 LEU A 85 0.559 1.939 1.969 1.00 11.11 H new ATOM 0 HD23 LEU A 85 0.622 2.212 3.726 1.00 11.11 H new ATOM 1353 N TYR A 86 1.565 -2.369 5.621 1.00 45.44 N ATOM 1354 CA TYR A 86 2.455 -2.589 6.754 1.00 52.04 C ATOM 1355 C TYR A 86 3.413 -3.745 6.479 1.00 23.13 C ATOM 1356 O TYR A 86 4.572 -3.718 6.893 1.00 4.41 O ATOM 1357 CB TYR A 86 1.645 -2.873 8.019 1.00 63.34 C ATOM 1358 CG TYR A 86 2.493 -3.277 9.205 1.00 33.31 C ATOM 1359 CD1 TYR A 86 2.996 -2.324 10.081 1.00 55.04 C ATOM 1360 CD2 TYR A 86 2.792 -4.613 9.448 1.00 1.33 C ATOM 1361 CE1 TYR A 86 3.773 -2.687 11.164 1.00 63.42 C ATOM 1362 CE2 TYR A 86 3.567 -4.985 10.529 1.00 64.41 C ATOM 1363 CZ TYR A 86 4.054 -4.020 11.384 1.00 14.31 C ATOM 1364 OH TYR A 86 4.827 -4.387 12.462 1.00 51.21 O ATOM 0 H TYR A 86 0.573 -2.375 5.857 1.00 45.44 H new ATOM 0 HA TYR A 86 3.042 -1.683 6.903 1.00 52.04 H new ATOM 0 HB2 TYR A 86 1.071 -1.984 8.280 1.00 63.34 H new ATOM 0 HB3 TYR A 86 0.927 -3.666 7.810 1.00 63.34 H new ATOM 0 HD1 TYR A 86 2.776 -1.280 9.913 1.00 55.04 H new ATOM 0 HD2 TYR A 86 2.412 -5.372 8.781 1.00 1.33 H new ATOM 0 HE1 TYR A 86 4.158 -1.933 11.834 1.00 63.42 H new ATOM 0 HE2 TYR A 86 3.790 -6.027 10.703 1.00 64.41 H new ATOM 0 HH TYR A 86 5.371 -5.167 12.224 1.00 51.21 H new ATOM 1374 N CYS A 87 2.919 -4.758 5.776 1.00 4.11 N ATOM 1375 CA CYS A 87 3.728 -5.924 5.443 1.00 62.43 C ATOM 1376 C CYS A 87 4.811 -5.565 4.432 1.00 14.33 C ATOM 1377 O CYS A 87 5.856 -6.212 4.368 1.00 74.22 O ATOM 1378 CB CYS A 87 2.845 -7.043 4.888 1.00 0.34 C ATOM 1379 SG CYS A 87 2.688 -7.032 3.086 1.00 50.32 S ATOM 0 H CYS A 87 1.962 -4.795 5.426 1.00 4.11 H new ATOM 0 HA CYS A 87 4.211 -6.272 6.356 1.00 62.43 H new ATOM 0 HB2 CYS A 87 3.254 -8.004 5.201 1.00 0.34 H new ATOM 0 HB3 CYS A 87 1.852 -6.961 5.329 1.00 0.34 H new ATOM 0 HG CYS A 87 2.110 -5.931 2.707 1.00 50.32 H new ATOM 1385 N VAL A 88 4.554 -4.528 3.640 1.00 50.44 N ATOM 1386 CA VAL A 88 5.506 -4.081 2.631 1.00 34.11 C ATOM 1387 C VAL A 88 6.720 -3.421 3.275 1.00 50.00 C ATOM 1388 O VAL A 88 7.819 -3.442 2.720 1.00 10.41 O ATOM 1389 CB VAL A 88 4.857 -3.090 1.647 1.00 52.32 C ATOM 1390 CG1 VAL A 88 5.850 -2.680 0.570 1.00 30.11 C ATOM 1391 CG2 VAL A 88 3.607 -3.696 1.028 1.00 30.12 C ATOM 0 H VAL A 88 3.693 -3.982 3.678 1.00 50.44 H new ATOM 0 HA VAL A 88 5.826 -4.967 2.083 1.00 34.11 H new ATOM 0 HB VAL A 88 4.565 -2.196 2.198 1.00 52.32 H new ATOM 0 HG11 VAL A 88 5.374 -1.980 -0.116 1.00 30.11 H new ATOM 0 HG12 VAL A 88 6.714 -2.203 1.034 1.00 30.11 H new ATOM 0 HG13 VAL A 88 6.175 -3.563 0.020 1.00 30.11 H new ATOM 0 HG21 VAL A 88 3.161 -2.982 0.335 1.00 30.12 H new ATOM 0 HG22 VAL A 88 3.872 -4.606 0.490 1.00 30.12 H new ATOM 0 HG23 VAL A 88 2.891 -3.934 1.814 1.00 30.12 H new ATOM 1401 N HIS A 89 6.514 -2.834 4.450 1.00 35.52 N ATOM 1402 CA HIS A 89 7.592 -2.167 5.171 1.00 73.15 C ATOM 1403 C HIS A 89 8.072 -3.021 6.342 1.00 31.31 C ATOM 1404 O HIS A 89 9.017 -2.594 7.003 1.00 74.41 O ATOM 1405 CB HIS A 89 7.127 -0.802 5.679 1.00 74.42 C ATOM 1406 CG HIS A 89 6.563 0.076 4.605 1.00 22.42 C ATOM 1407 ND1 HIS A 89 7.235 0.360 3.435 1.00 22.35 N ATOM 1408 CD2 HIS A 89 5.382 0.733 4.528 1.00 52.13 C ATOM 1409 CE1 HIS A 89 6.492 1.155 2.686 1.00 25.13 C ATOM 1410 NE2 HIS A 89 5.362 1.396 3.326 1.00 64.52 N ATOM 0 H HIS A 89 5.611 -2.807 4.923 1.00 35.52 H new ATOM 0 HA HIS A 89 8.424 -2.026 4.481 1.00 73.15 H new ATOM 0 HB2 HIS A 89 6.372 -0.949 6.451 1.00 74.42 H new ATOM 0 HB3 HIS A 89 7.968 -0.293 6.149 1.00 74.42 H new ATOM 0 HD2 HIS A 89 4.601 0.735 5.274 1.00 52.13 H new ATOM 0 HE1 HIS A 89 6.763 1.542 1.715 1.00 25.13 H new ATOM 0 HE2 HIS A 89 4.599 1.980 2.983 1.00 64.52 H new ATOM 1419 N GLN A 90 7.467 -4.175 6.605 1.00 23.21 N ATOM 1420 CA GLN A 90 7.889 -5.024 7.713 1.00 1.41 C ATOM 1421 C GLN A 90 8.165 -6.446 7.235 1.00 3.22 C ATOM 1422 O GLN A 90 8.580 -7.304 8.014 1.00 44.21 O ATOM 1423 CB GLN A 90 6.821 -5.039 8.808 1.00 24.24 C ATOM 1424 CG GLN A 90 6.904 -3.853 9.755 1.00 20.21 C ATOM 1425 CD GLN A 90 7.289 -4.259 11.165 1.00 15.14 C ATOM 1426 OE1 GLN A 90 7.045 -5.390 11.586 1.00 4.02 O ATOM 1427 NE2 GLN A 90 7.896 -3.336 11.901 1.00 65.05 N ATOM 0 H GLN A 90 6.683 -4.543 6.066 1.00 23.21 H new ATOM 0 HA GLN A 90 8.812 -4.612 8.122 1.00 1.41 H new ATOM 0 HB2 GLN A 90 5.835 -5.053 8.343 1.00 24.24 H new ATOM 0 HB3 GLN A 90 6.915 -5.960 9.383 1.00 24.24 H new ATOM 0 HG2 GLN A 90 7.634 -3.139 9.374 1.00 20.21 H new ATOM 0 HG3 GLN A 90 5.941 -3.343 9.778 1.00 20.21 H new ATOM 0 HE21 GLN A 90 8.078 -2.411 11.511 1.00 65.05 H new ATOM 0 HE22 GLN A 90 8.180 -3.551 12.857 1.00 65.05 H new ATOM 1436 N ARG A 91 7.930 -6.689 5.948 1.00 54.34 N ATOM 1437 CA ARG A 91 8.152 -8.006 5.368 1.00 30.42 C ATOM 1438 C ARG A 91 7.312 -9.063 6.079 1.00 43.34 C ATOM 1439 O ARG A 91 7.830 -10.090 6.519 1.00 43.12 O ATOM 1440 CB ARG A 91 9.634 -8.380 5.447 1.00 72.44 C ATOM 1441 CG ARG A 91 10.085 -9.323 4.343 1.00 65.10 C ATOM 1442 CD ARG A 91 10.101 -8.630 2.990 1.00 41.22 C ATOM 1443 NE ARG A 91 11.144 -9.160 2.116 1.00 11.50 N ATOM 1444 CZ ARG A 91 12.439 -8.910 2.282 1.00 43.40 C ATOM 1445 NH1 ARG A 91 12.847 -8.142 3.283 1.00 43.23 N ATOM 1446 NH2 ARG A 91 13.328 -9.428 1.445 1.00 12.21 N ATOM 0 H ARG A 91 7.586 -5.990 5.289 1.00 54.34 H new ATOM 0 HA ARG A 91 7.849 -7.969 4.322 1.00 30.42 H new ATOM 0 HB2 ARG A 91 10.232 -7.470 5.403 1.00 72.44 H new ATOM 0 HB3 ARG A 91 9.832 -8.845 6.413 1.00 72.44 H new ATOM 0 HG2 ARG A 91 11.081 -9.701 4.571 1.00 65.10 H new ATOM 0 HG3 ARG A 91 9.418 -10.184 4.304 1.00 65.10 H new ATOM 0 HD2 ARG A 91 9.130 -8.750 2.510 1.00 41.22 H new ATOM 0 HD3 ARG A 91 10.256 -7.561 3.132 1.00 41.22 H new ATOM 0 HE ARG A 91 10.864 -9.754 1.336 1.00 11.50 H new ATOM 0 HH11 ARG A 91 12.166 -7.741 3.928 1.00 43.23 H new ATOM 0 HH12 ARG A 91 13.841 -7.952 3.408 1.00 43.23 H new ATOM 0 HH21 ARG A 91 13.018 -10.019 0.673 1.00 12.21 H new ATOM 0 HH22 ARG A 91 14.321 -9.236 1.573 1.00 12.21 H new ATOM 1460 N ILE A 92 6.013 -8.803 6.188 1.00 13.33 N ATOM 1461 CA ILE A 92 5.102 -9.731 6.845 1.00 63.31 C ATOM 1462 C ILE A 92 4.443 -10.663 5.834 1.00 43.20 C ATOM 1463 O ILE A 92 3.657 -10.227 4.991 1.00 54.34 O ATOM 1464 CB ILE A 92 4.006 -8.984 7.629 1.00 21.43 C ATOM 1465 CG1 ILE A 92 4.608 -7.799 8.386 1.00 73.45 C ATOM 1466 CG2 ILE A 92 3.302 -9.932 8.589 1.00 4.01 C ATOM 1467 CD1 ILE A 92 5.692 -8.196 9.364 1.00 51.34 C ATOM 0 H ILE A 92 5.569 -7.958 5.830 1.00 13.33 H new ATOM 0 HA ILE A 92 5.699 -10.319 7.542 1.00 63.31 H new ATOM 0 HB ILE A 92 3.270 -8.602 6.922 1.00 21.43 H new ATOM 0 HG12 ILE A 92 5.020 -7.090 7.667 1.00 73.45 H new ATOM 0 HG13 ILE A 92 3.815 -7.282 8.925 1.00 73.45 H new ATOM 0 HG21 ILE A 92 2.531 -9.390 9.136 1.00 4.01 H new ATOM 0 HG22 ILE A 92 2.844 -10.746 8.027 1.00 4.01 H new ATOM 0 HG23 ILE A 92 4.026 -10.341 9.293 1.00 4.01 H new ATOM 0 HD11 ILE A 92 6.074 -7.306 9.865 1.00 51.34 H new ATOM 0 HD12 ILE A 92 5.280 -8.881 10.105 1.00 51.34 H new ATOM 0 HD13 ILE A 92 6.504 -8.687 8.828 1.00 51.34 H new ATOM 1479 N ASP A 93 4.765 -11.949 5.925 1.00 52.43 N ATOM 1480 CA ASP A 93 4.202 -12.944 5.019 1.00 62.15 C ATOM 1481 C ASP A 93 2.685 -13.013 5.164 1.00 62.32 C ATOM 1482 O ASP A 93 2.166 -13.680 6.059 1.00 2.51 O ATOM 1483 CB ASP A 93 4.816 -14.318 5.292 1.00 41.44 C ATOM 1484 CG ASP A 93 4.306 -15.379 4.338 1.00 73.43 C ATOM 1485 OD1 ASP A 93 3.945 -15.026 3.196 1.00 70.23 O ATOM 1486 OD2 ASP A 93 4.267 -16.564 4.734 1.00 4.13 O ATOM 0 H ASP A 93 5.413 -12.327 6.617 1.00 52.43 H new ATOM 0 HA ASP A 93 4.438 -12.646 3.998 1.00 62.15 H new ATOM 0 HB2 ASP A 93 5.901 -14.251 5.210 1.00 41.44 H new ATOM 0 HB3 ASP A 93 4.592 -14.616 6.316 1.00 41.44 H new ATOM 1491 N VAL A 94 1.979 -12.318 4.277 1.00 43.30 N ATOM 1492 CA VAL A 94 0.521 -12.300 4.305 1.00 73.13 C ATOM 1493 C VAL A 94 -0.060 -13.050 3.113 1.00 23.42 C ATOM 1494 O VAL A 94 0.230 -12.728 1.961 1.00 20.14 O ATOM 1495 CB VAL A 94 -0.022 -10.859 4.307 1.00 3.21 C ATOM 1496 CG1 VAL A 94 0.366 -10.143 5.591 1.00 73.42 C ATOM 1497 CG2 VAL A 94 0.481 -10.099 3.090 1.00 2.41 C ATOM 0 H VAL A 94 2.393 -11.760 3.530 1.00 43.30 H new ATOM 0 HA VAL A 94 0.215 -12.796 5.226 1.00 73.13 H new ATOM 0 HB VAL A 94 -1.110 -10.900 4.257 1.00 3.21 H new ATOM 0 HG11 VAL A 94 -0.027 -9.126 5.574 1.00 73.42 H new ATOM 0 HG12 VAL A 94 -0.049 -10.678 6.445 1.00 73.42 H new ATOM 0 HG13 VAL A 94 1.452 -10.111 5.676 1.00 73.42 H new ATOM 0 HG21 VAL A 94 0.088 -9.083 3.108 1.00 2.41 H new ATOM 0 HG22 VAL A 94 1.570 -10.067 3.106 1.00 2.41 H new ATOM 0 HG23 VAL A 94 0.146 -10.602 2.183 1.00 2.41 H new ATOM 1507 N LYS A 95 -0.885 -14.053 3.396 1.00 73.53 N ATOM 1508 CA LYS A 95 -1.510 -14.849 2.347 1.00 23.31 C ATOM 1509 C LYS A 95 -2.636 -14.072 1.673 1.00 23.51 C ATOM 1510 O LYS A 95 -3.044 -14.394 0.556 1.00 32.41 O ATOM 1511 CB LYS A 95 -2.054 -16.157 2.927 1.00 25.43 C ATOM 1512 CG LYS A 95 -2.589 -17.113 1.875 1.00 70.43 C ATOM 1513 CD LYS A 95 -2.393 -18.562 2.288 1.00 21.21 C ATOM 1514 CE LYS A 95 -2.398 -19.491 1.083 1.00 1.43 C ATOM 1515 NZ LYS A 95 -2.233 -20.917 1.481 1.00 12.35 N ATOM 0 H LYS A 95 -1.136 -14.334 4.344 1.00 73.53 H new ATOM 0 HA LYS A 95 -0.752 -15.078 1.598 1.00 23.31 H new ATOM 0 HB2 LYS A 95 -1.262 -16.653 3.488 1.00 25.43 H new ATOM 0 HB3 LYS A 95 -2.850 -15.927 3.635 1.00 25.43 H new ATOM 0 HG2 LYS A 95 -3.649 -16.920 1.712 1.00 70.43 H new ATOM 0 HG3 LYS A 95 -2.083 -16.932 0.927 1.00 70.43 H new ATOM 0 HD2 LYS A 95 -1.449 -18.664 2.824 1.00 21.21 H new ATOM 0 HD3 LYS A 95 -3.184 -18.855 2.978 1.00 21.21 H new ATOM 0 HE2 LYS A 95 -3.334 -19.372 0.537 1.00 1.43 H new ATOM 0 HE3 LYS A 95 -1.594 -19.208 0.403 1.00 1.43 H new ATOM 0 HZ1 LYS A 95 -2.242 -21.518 0.632 1.00 12.35 H new ATOM 0 HZ2 LYS A 95 -1.328 -21.036 1.980 1.00 12.35 H new ATOM 0 HZ3 LYS A 95 -3.014 -21.195 2.109 1.00 12.35 H new ATOM 1529 N ASP A 96 -3.134 -13.048 2.357 1.00 22.31 N ATOM 1530 CA ASP A 96 -4.212 -12.224 1.822 1.00 1.54 C ATOM 1531 C ASP A 96 -4.531 -11.068 2.765 1.00 22.22 C ATOM 1532 O ASP A 96 -3.894 -10.908 3.807 1.00 14.32 O ATOM 1533 CB ASP A 96 -5.465 -13.071 1.591 1.00 13.24 C ATOM 1534 CG ASP A 96 -5.890 -13.826 2.834 1.00 44.14 C ATOM 1535 OD1 ASP A 96 -6.491 -13.200 3.733 1.00 65.35 O ATOM 1536 OD2 ASP A 96 -5.623 -15.043 2.909 1.00 72.14 O ATOM 0 H ASP A 96 -2.809 -12.769 3.283 1.00 22.31 H new ATOM 0 HA ASP A 96 -3.882 -11.812 0.869 1.00 1.54 H new ATOM 0 HB2 ASP A 96 -6.281 -12.426 1.264 1.00 13.24 H new ATOM 0 HB3 ASP A 96 -5.277 -13.780 0.785 1.00 13.24 H new ATOM 1541 N THR A 97 -5.521 -10.263 2.393 1.00 64.44 N ATOM 1542 CA THR A 97 -5.924 -9.122 3.204 1.00 55.45 C ATOM 1543 C THR A 97 -6.181 -9.536 4.649 1.00 53.42 C ATOM 1544 O THR A 97 -5.640 -8.941 5.582 1.00 42.32 O ATOM 1545 CB THR A 97 -7.192 -8.451 2.642 1.00 71.11 C ATOM 1546 OG1 THR A 97 -6.935 -7.944 1.327 1.00 1.21 O ATOM 1547 CG2 THR A 97 -7.653 -7.319 3.547 1.00 52.12 C ATOM 0 H THR A 97 -6.059 -10.381 1.534 1.00 64.44 H new ATOM 0 HA THR A 97 -5.100 -8.409 3.174 1.00 55.45 H new ATOM 0 HB THR A 97 -7.982 -9.200 2.595 1.00 71.11 H new ATOM 0 HG1 THR A 97 -7.362 -8.525 0.663 1.00 1.21 H new ATOM 0 HG21 THR A 97 -8.549 -6.861 3.129 1.00 52.12 H new ATOM 0 HG22 THR A 97 -7.876 -7.713 4.538 1.00 52.12 H new ATOM 0 HG23 THR A 97 -6.865 -6.570 3.623 1.00 52.12 H new ATOM 1555 N LYS A 98 -7.009 -10.559 4.828 1.00 33.23 N ATOM 1556 CA LYS A 98 -7.336 -11.056 6.159 1.00 33.15 C ATOM 1557 C LYS A 98 -6.080 -11.515 6.893 1.00 0.31 C ATOM 1558 O LYS A 98 -5.836 -11.117 8.031 1.00 15.23 O ATOM 1559 CB LYS A 98 -8.335 -12.212 6.064 1.00 15.33 C ATOM 1560 CG LYS A 98 -8.925 -12.617 7.402 1.00 24.00 C ATOM 1561 CD LYS A 98 -10.108 -13.556 7.229 1.00 14.30 C ATOM 1562 CE LYS A 98 -9.966 -14.796 8.096 1.00 32.51 C ATOM 1563 NZ LYS A 98 -10.471 -16.016 7.405 1.00 41.34 N ATOM 0 H LYS A 98 -7.467 -11.061 4.067 1.00 33.23 H new ATOM 0 HA LYS A 98 -7.787 -10.239 6.723 1.00 33.15 H new ATOM 0 HB2 LYS A 98 -9.144 -11.928 5.391 1.00 15.33 H new ATOM 0 HB3 LYS A 98 -7.839 -13.074 5.619 1.00 15.33 H new ATOM 0 HG2 LYS A 98 -8.159 -13.103 8.006 1.00 24.00 H new ATOM 0 HG3 LYS A 98 -9.242 -11.727 7.945 1.00 24.00 H new ATOM 0 HD2 LYS A 98 -11.029 -13.034 7.487 1.00 14.30 H new ATOM 0 HD3 LYS A 98 -10.191 -13.850 6.183 1.00 14.30 H new ATOM 0 HE2 LYS A 98 -8.918 -14.936 8.361 1.00 32.51 H new ATOM 0 HE3 LYS A 98 -10.514 -14.653 9.027 1.00 32.51 H new ATOM 0 HZ1 LYS A 98 -10.357 -16.840 8.029 1.00 41.34 H new ATOM 0 HZ2 LYS A 98 -11.478 -15.893 7.175 1.00 41.34 H new ATOM 0 HZ3 LYS A 98 -9.931 -16.167 6.529 1.00 41.34 H new ATOM 1577 N GLU A 99 -5.286 -12.352 6.232 1.00 4.03 N ATOM 1578 CA GLU A 99 -4.055 -12.863 6.823 1.00 4.21 C ATOM 1579 C GLU A 99 -3.250 -11.735 7.462 1.00 74.52 C ATOM 1580 O GLU A 99 -2.671 -11.904 8.536 1.00 33.15 O ATOM 1581 CB GLU A 99 -3.209 -13.570 5.763 1.00 22.33 C ATOM 1582 CG GLU A 99 -2.987 -15.047 6.046 1.00 70.30 C ATOM 1583 CD GLU A 99 -4.210 -15.891 5.742 1.00 41.41 C ATOM 1584 OE1 GLU A 99 -5.338 -15.392 5.942 1.00 52.05 O ATOM 1585 OE2 GLU A 99 -4.039 -17.047 5.305 1.00 2.14 O ATOM 0 H GLU A 99 -5.473 -12.690 5.288 1.00 4.03 H new ATOM 0 HA GLU A 99 -4.325 -13.579 7.599 1.00 4.21 H new ATOM 0 HB2 GLU A 99 -3.694 -13.464 4.793 1.00 22.33 H new ATOM 0 HB3 GLU A 99 -2.242 -13.073 5.692 1.00 22.33 H new ATOM 0 HG2 GLU A 99 -2.147 -15.405 5.451 1.00 70.30 H new ATOM 0 HG3 GLU A 99 -2.713 -15.175 7.093 1.00 70.30 H new ATOM 1592 N ALA A 100 -3.217 -10.587 6.795 1.00 22.02 N ATOM 1593 CA ALA A 100 -2.485 -9.431 7.298 1.00 24.32 C ATOM 1594 C ALA A 100 -3.021 -8.989 8.655 1.00 22.22 C ATOM 1595 O ALA A 100 -2.258 -8.799 9.604 1.00 22.35 O ATOM 1596 CB ALA A 100 -2.559 -8.285 6.301 1.00 32.04 C ATOM 0 H ALA A 100 -3.689 -10.432 5.904 1.00 22.02 H new ATOM 0 HA ALA A 100 -1.442 -9.721 7.426 1.00 24.32 H new ATOM 0 HB1 ALA A 100 -2.008 -7.428 6.690 1.00 32.04 H new ATOM 0 HB2 ALA A 100 -2.121 -8.598 5.353 1.00 32.04 H new ATOM 0 HB3 ALA A 100 -3.601 -8.006 6.144 1.00 32.04 H new ATOM 1602 N LEU A 101 -4.337 -8.828 8.743 1.00 15.05 N ATOM 1603 CA LEU A 101 -4.975 -8.407 9.985 1.00 30.41 C ATOM 1604 C LEU A 101 -4.605 -9.343 11.132 1.00 11.24 C ATOM 1605 O LEU A 101 -4.043 -8.914 12.139 1.00 42.11 O ATOM 1606 CB LEU A 101 -6.495 -8.370 9.813 1.00 14.05 C ATOM 1607 CG LEU A 101 -7.157 -7.004 9.995 1.00 44.12 C ATOM 1608 CD1 LEU A 101 -6.845 -6.439 11.372 1.00 2.22 C ATOM 1609 CD2 LEU A 101 -6.705 -6.042 8.906 1.00 60.22 C ATOM 0 H LEU A 101 -4.983 -8.983 7.969 1.00 15.05 H new ATOM 0 HA LEU A 101 -4.618 -7.406 10.227 1.00 30.41 H new ATOM 0 HB2 LEU A 101 -6.737 -8.739 8.816 1.00 14.05 H new ATOM 0 HB3 LEU A 101 -6.939 -9.065 10.526 1.00 14.05 H new ATOM 0 HG LEU A 101 -8.236 -7.131 9.913 1.00 44.12 H new ATOM 0 HD11 LEU A 101 -7.324 -5.466 11.483 1.00 2.22 H new ATOM 0 HD12 LEU A 101 -7.220 -7.118 12.138 1.00 2.22 H new ATOM 0 HD13 LEU A 101 -5.767 -6.327 11.483 1.00 2.22 H new ATOM 0 HD21 LEU A 101 -7.187 -5.075 9.052 1.00 60.22 H new ATOM 0 HD22 LEU A 101 -5.623 -5.920 8.955 1.00 60.22 H new ATOM 0 HD23 LEU A 101 -6.981 -6.441 7.930 1.00 60.22 H new ATOM 1621 N ASP A 102 -4.921 -10.623 10.969 1.00 75.42 N ATOM 1622 CA ASP A 102 -4.618 -11.620 11.989 1.00 64.30 C ATOM 1623 C ASP A 102 -3.112 -11.742 12.200 1.00 4.53 C ATOM 1624 O ASP A 102 -2.657 -12.386 13.145 1.00 72.11 O ATOM 1625 CB ASP A 102 -5.201 -12.978 11.595 1.00 22.34 C ATOM 1626 CG ASP A 102 -6.607 -13.180 12.123 1.00 64.22 C ATOM 1627 OD1 ASP A 102 -7.561 -12.710 11.468 1.00 54.44 O ATOM 1628 OD2 ASP A 102 -6.755 -13.807 13.193 1.00 61.32 O ATOM 0 H ASP A 102 -5.387 -10.994 10.141 1.00 75.42 H new ATOM 0 HA ASP A 102 -5.073 -11.295 12.925 1.00 64.30 H new ATOM 0 HB2 ASP A 102 -5.208 -13.066 10.509 1.00 22.34 H new ATOM 0 HB3 ASP A 102 -4.556 -13.771 11.974 1.00 22.34 H new ATOM 1633 N LYS A 103 -2.343 -11.119 11.313 1.00 12.12 N ATOM 1634 CA LYS A 103 -0.888 -11.157 11.401 1.00 2.41 C ATOM 1635 C LYS A 103 -0.365 -10.005 12.254 1.00 3.22 C ATOM 1636 O LYS A 103 0.365 -10.219 13.222 1.00 34.34 O ATOM 1637 CB LYS A 103 -0.270 -11.091 10.002 1.00 62.41 C ATOM 1638 CG LYS A 103 0.107 -12.451 9.440 1.00 40.43 C ATOM 1639 CD LYS A 103 1.392 -12.974 10.059 1.00 40.21 C ATOM 1640 CE LYS A 103 1.426 -14.494 10.073 1.00 63.25 C ATOM 1641 NZ LYS A 103 2.686 -15.026 9.485 1.00 75.21 N ATOM 0 H LYS A 103 -2.704 -10.582 10.525 1.00 12.12 H new ATOM 0 HA LYS A 103 -0.602 -12.096 11.874 1.00 2.41 H new ATOM 0 HB2 LYS A 103 -0.975 -10.610 9.324 1.00 62.41 H new ATOM 0 HB3 LYS A 103 0.619 -10.462 10.036 1.00 62.41 H new ATOM 0 HG2 LYS A 103 -0.701 -13.159 9.625 1.00 40.43 H new ATOM 0 HG3 LYS A 103 0.226 -12.379 8.359 1.00 40.43 H new ATOM 0 HD2 LYS A 103 2.247 -12.595 9.499 1.00 40.21 H new ATOM 0 HD3 LYS A 103 1.486 -12.598 11.078 1.00 40.21 H new ATOM 0 HE2 LYS A 103 1.325 -14.850 11.098 1.00 63.25 H new ATOM 0 HE3 LYS A 103 0.573 -14.881 9.516 1.00 63.25 H new ATOM 0 HZ1 LYS A 103 2.670 -16.066 9.513 1.00 75.21 H new ATOM 0 HZ2 LYS A 103 2.770 -14.707 8.499 1.00 75.21 H new ATOM 0 HZ3 LYS A 103 3.499 -14.677 10.032 1.00 75.21 H new ATOM 1655 N ILE A 104 -0.743 -8.785 11.889 1.00 25.04 N ATOM 1656 CA ILE A 104 -0.314 -7.601 12.622 1.00 0.45 C ATOM 1657 C ILE A 104 -0.858 -7.608 14.046 1.00 65.52 C ATOM 1658 O ILE A 104 -0.194 -7.154 14.976 1.00 61.23 O ATOM 1659 CB ILE A 104 -0.768 -6.307 11.919 1.00 30.35 C ATOM 1660 CG1 ILE A 104 -0.112 -6.193 10.541 1.00 72.42 C ATOM 1661 CG2 ILE A 104 -0.432 -5.094 12.772 1.00 42.14 C ATOM 1662 CD1 ILE A 104 -0.670 -5.070 9.697 1.00 15.42 C ATOM 0 H ILE A 104 -1.346 -8.591 11.090 1.00 25.04 H new ATOM 0 HA ILE A 104 0.775 -7.627 12.651 1.00 0.45 H new ATOM 0 HB ILE A 104 -1.849 -6.344 11.785 1.00 30.35 H new ATOM 0 HG12 ILE A 104 0.960 -6.042 10.669 1.00 72.42 H new ATOM 0 HG13 ILE A 104 -0.240 -7.135 10.008 1.00 72.42 H new ATOM 0 HG21 ILE A 104 -0.759 -4.188 12.261 1.00 42.14 H new ATOM 0 HG22 ILE A 104 -0.941 -5.173 13.733 1.00 42.14 H new ATOM 0 HG23 ILE A 104 0.645 -5.050 12.934 1.00 42.14 H new ATOM 0 HD11 ILE A 104 -0.158 -5.049 8.735 1.00 15.42 H new ATOM 0 HD12 ILE A 104 -1.736 -5.230 9.538 1.00 15.42 H new ATOM 0 HD13 ILE A 104 -0.518 -4.120 10.209 1.00 15.42 H new ATOM 1674 N GLU A 105 -2.070 -8.130 14.208 1.00 63.52 N ATOM 1675 CA GLU A 105 -2.703 -8.199 15.520 1.00 32.21 C ATOM 1676 C GLU A 105 -2.051 -9.275 16.383 1.00 15.41 C ATOM 1677 O GLU A 105 -1.620 -9.008 17.504 1.00 74.13 O ATOM 1678 CB GLU A 105 -4.199 -8.484 15.375 1.00 1.25 C ATOM 1679 CG GLU A 105 -4.905 -8.721 16.700 1.00 21.14 C ATOM 1680 CD GLU A 105 -6.369 -8.328 16.659 1.00 73.25 C ATOM 1681 OE1 GLU A 105 -7.189 -9.141 16.184 1.00 71.15 O ATOM 1682 OE2 GLU A 105 -6.694 -7.206 17.103 1.00 21.23 O ATOM 0 H GLU A 105 -2.633 -8.511 13.447 1.00 63.52 H new ATOM 0 HA GLU A 105 -2.570 -7.234 16.010 1.00 32.21 H new ATOM 0 HB2 GLU A 105 -4.672 -7.645 14.866 1.00 1.25 H new ATOM 0 HB3 GLU A 105 -4.334 -9.359 14.740 1.00 1.25 H new ATOM 0 HG2 GLU A 105 -4.823 -9.774 16.968 1.00 21.14 H new ATOM 0 HG3 GLU A 105 -4.402 -8.153 17.482 1.00 21.14 H new ATOM 1689 N GLU A 106 -1.982 -10.491 15.851 1.00 13.21 N ATOM 1690 CA GLU A 106 -1.382 -11.608 16.574 1.00 5.42 C ATOM 1691 C GLU A 106 0.046 -11.278 16.996 1.00 31.22 C ATOM 1692 O GLU A 106 0.538 -11.785 18.004 1.00 50.10 O ATOM 1693 CB GLU A 106 -1.393 -12.868 15.707 1.00 73.24 C ATOM 1694 CG GLU A 106 -0.891 -14.108 16.430 1.00 42.45 C ATOM 1695 CD GLU A 106 -1.997 -15.105 16.715 1.00 23.04 C ATOM 1696 OE1 GLU A 106 -2.781 -14.870 17.658 1.00 21.31 O ATOM 1697 OE2 GLU A 106 -2.078 -16.122 15.992 1.00 44.52 O ATOM 0 H GLU A 106 -2.333 -10.728 14.923 1.00 13.21 H new ATOM 0 HA GLU A 106 -1.974 -11.788 17.471 1.00 5.42 H new ATOM 0 HB2 GLU A 106 -2.409 -13.049 15.356 1.00 73.24 H new ATOM 0 HB3 GLU A 106 -0.776 -12.697 14.825 1.00 73.24 H new ATOM 0 HG2 GLU A 106 -0.120 -14.588 15.827 1.00 42.45 H new ATOM 0 HG3 GLU A 106 -0.423 -13.812 17.369 1.00 42.45 H new ATOM 1704 N GLU A 107 0.707 -10.427 16.217 1.00 25.42 N ATOM 1705 CA GLU A 107 2.079 -10.032 16.509 1.00 23.40 C ATOM 1706 C GLU A 107 2.149 -9.223 17.800 1.00 53.03 C ATOM 1707 O GLU A 107 3.180 -9.195 18.472 1.00 42.30 O ATOM 1708 CB GLU A 107 2.656 -9.217 15.350 1.00 42.53 C ATOM 1709 CG GLU A 107 3.405 -10.055 14.329 1.00 51.43 C ATOM 1710 CD GLU A 107 4.208 -9.211 13.357 1.00 43.31 C ATOM 1711 OE1 GLU A 107 3.592 -8.440 12.592 1.00 31.44 O ATOM 1712 OE2 GLU A 107 5.452 -9.322 13.364 1.00 22.42 O ATOM 0 H GLU A 107 0.314 -9.998 15.379 1.00 25.42 H new ATOM 0 HA GLU A 107 2.672 -10.938 16.636 1.00 23.40 H new ATOM 0 HB2 GLU A 107 1.844 -8.689 14.849 1.00 42.53 H new ATOM 0 HB3 GLU A 107 3.330 -8.459 15.750 1.00 42.53 H new ATOM 0 HG2 GLU A 107 4.075 -10.741 14.848 1.00 51.43 H new ATOM 0 HG3 GLU A 107 2.693 -10.665 13.773 1.00 51.43 H new ATOM 1719 N GLN A 108 1.045 -8.565 18.141 1.00 2.05 N ATOM 1720 CA GLN A 108 0.982 -7.754 19.350 1.00 63.11 C ATOM 1721 C GLN A 108 0.231 -8.486 20.458 1.00 71.32 C ATOM 1722 O GLN A 108 0.476 -8.258 21.642 1.00 53.01 O ATOM 1723 CB GLN A 108 0.302 -6.415 19.056 1.00 64.14 C ATOM 1724 CG GLN A 108 0.224 -5.495 20.264 1.00 14.41 C ATOM 1725 CD GLN A 108 1.538 -4.796 20.550 1.00 72.13 C ATOM 1726 OE1 GLN A 108 2.613 -5.347 20.309 1.00 25.44 O ATOM 1727 NE2 GLN A 108 1.461 -3.576 21.069 1.00 30.21 N ATOM 0 H GLN A 108 0.183 -8.578 17.597 1.00 2.05 H new ATOM 0 HA GLN A 108 2.002 -7.570 19.687 1.00 63.11 H new ATOM 0 HB2 GLN A 108 0.845 -5.908 18.258 1.00 64.14 H new ATOM 0 HB3 GLN A 108 -0.706 -6.602 18.686 1.00 64.14 H new ATOM 0 HG2 GLN A 108 -0.552 -4.748 20.098 1.00 14.41 H new ATOM 0 HG3 GLN A 108 -0.073 -6.074 21.138 1.00 14.41 H new ATOM 0 HE21 GLN A 108 0.550 -3.157 21.253 1.00 30.21 H new ATOM 0 HE22 GLN A 108 2.313 -3.058 21.284 1.00 30.21 H new ATOM 1736 N ASN A 109 -0.683 -9.367 20.064 1.00 71.44 N ATOM 1737 CA ASN A 109 -1.470 -10.133 21.024 1.00 54.14 C ATOM 1738 C ASN A 109 -0.654 -11.288 21.597 1.00 61.42 C ATOM 1739 O ASN A 109 -0.749 -11.603 22.783 1.00 4.21 O ATOM 1740 CB ASN A 109 -2.741 -10.669 20.362 1.00 75.04 C ATOM 1741 CG ASN A 109 -3.973 -10.452 21.219 1.00 30.52 C ATOM 1742 OD1 ASN A 109 -4.141 -11.089 22.258 1.00 21.52 O ATOM 1743 ND2 ASN A 109 -4.844 -9.549 20.783 1.00 40.52 N ATOM 0 H ASN A 109 -0.897 -9.568 19.087 1.00 71.44 H new ATOM 0 HA ASN A 109 -1.748 -9.468 21.841 1.00 54.14 H new ATOM 0 HB2 ASN A 109 -2.881 -10.178 19.399 1.00 75.04 H new ATOM 0 HB3 ASN A 109 -2.623 -11.734 20.163 1.00 75.04 H new ATOM 0 HD21 ASN A 109 -5.693 -9.361 21.316 1.00 40.52 H new ATOM 0 HD22 ASN A 109 -4.664 -9.044 19.915 1.00 40.52 H new ATOM 1750 N LYS A 110 0.148 -11.918 20.746 1.00 20.44 N ATOM 1751 CA LYS A 110 0.982 -13.038 21.165 1.00 15.15 C ATOM 1752 C LYS A 110 1.820 -12.666 22.384 1.00 14.45 C ATOM 1753 O LYS A 110 2.050 -13.493 23.266 1.00 33.13 O ATOM 1754 CB LYS A 110 1.897 -13.477 20.018 1.00 23.14 C ATOM 1755 CG LYS A 110 2.795 -14.650 20.371 1.00 1.22 C ATOM 1756 CD LYS A 110 3.617 -15.102 19.176 1.00 21.15 C ATOM 1757 CE LYS A 110 4.853 -15.875 19.610 1.00 60.33 C ATOM 1758 NZ LYS A 110 6.028 -14.981 19.800 1.00 4.52 N ATOM 0 H LYS A 110 0.238 -11.672 19.760 1.00 20.44 H new ATOM 0 HA LYS A 110 0.326 -13.866 21.436 1.00 15.15 H new ATOM 0 HB2 LYS A 110 1.284 -13.746 19.158 1.00 23.14 H new ATOM 0 HB3 LYS A 110 2.517 -12.633 19.716 1.00 23.14 H new ATOM 0 HG2 LYS A 110 3.461 -14.367 21.186 1.00 1.22 H new ATOM 0 HG3 LYS A 110 2.187 -15.480 20.730 1.00 1.22 H new ATOM 0 HD2 LYS A 110 3.004 -15.728 18.527 1.00 21.15 H new ATOM 0 HD3 LYS A 110 3.917 -14.233 18.590 1.00 21.15 H new ATOM 0 HE2 LYS A 110 4.643 -16.402 20.541 1.00 60.33 H new ATOM 0 HE3 LYS A 110 5.090 -16.631 18.862 1.00 60.33 H new ATOM 0 HZ1 LYS A 110 6.850 -15.546 20.095 1.00 4.52 H new ATOM 0 HZ2 LYS A 110 6.244 -14.497 18.905 1.00 4.52 H new ATOM 0 HZ3 LYS A 110 5.812 -14.275 20.532 1.00 4.52 H new ATOM 1772 N SER A 111 2.273 -11.417 22.426 1.00 74.31 N ATOM 1773 CA SER A 111 3.088 -10.936 23.535 1.00 61.54 C ATOM 1774 C SER A 111 2.378 -11.160 24.868 1.00 5.43 C ATOM 1775 O SER A 111 3.017 -11.296 25.911 1.00 23.11 O ATOM 1776 CB SER A 111 3.405 -9.450 23.357 1.00 32.31 C ATOM 1777 OG SER A 111 3.355 -8.766 24.597 1.00 75.42 O ATOM 0 H SER A 111 2.089 -10.720 21.704 1.00 74.31 H new ATOM 0 HA SER A 111 4.020 -11.501 23.540 1.00 61.54 H new ATOM 0 HB2 SER A 111 4.395 -9.336 22.915 1.00 32.31 H new ATOM 0 HB3 SER A 111 2.693 -9.004 22.663 1.00 32.31 H new ATOM 0 HG SER A 111 3.563 -7.819 24.457 1.00 75.42 H new ATOM 1783 N LYS A 112 1.049 -11.196 24.824 1.00 33.21 N ATOM 1784 CA LYS A 112 0.249 -11.405 26.025 1.00 11.45 C ATOM 1785 C LYS A 112 -0.103 -12.878 26.195 1.00 63.33 C ATOM 1786 O LYS A 112 0.053 -13.444 27.277 1.00 4.20 O ATOM 1787 CB LYS A 112 -1.029 -10.567 25.961 1.00 44.43 C ATOM 1788 CG LYS A 112 -1.286 -9.751 27.217 1.00 74.44 C ATOM 1789 CD LYS A 112 -2.256 -10.456 28.151 1.00 25.14 C ATOM 1790 CE LYS A 112 -3.693 -10.041 27.877 1.00 23.50 C ATOM 1791 NZ LYS A 112 -4.499 -11.164 27.322 1.00 61.41 N ATOM 0 H LYS A 112 0.504 -11.083 23.969 1.00 33.21 H new ATOM 0 HA LYS A 112 0.840 -11.091 26.885 1.00 11.45 H new ATOM 0 HB2 LYS A 112 -0.969 -9.893 25.106 1.00 44.43 H new ATOM 0 HB3 LYS A 112 -1.878 -11.228 25.787 1.00 44.43 H new ATOM 0 HG2 LYS A 112 -0.344 -9.573 27.736 1.00 74.44 H new ATOM 0 HG3 LYS A 112 -1.688 -8.776 26.943 1.00 74.44 H new ATOM 0 HD2 LYS A 112 -2.159 -11.535 28.032 1.00 25.14 H new ATOM 0 HD3 LYS A 112 -2.000 -10.225 29.185 1.00 25.14 H new ATOM 0 HE2 LYS A 112 -4.151 -9.687 28.801 1.00 23.50 H new ATOM 0 HE3 LYS A 112 -3.703 -9.206 27.176 1.00 23.50 H new ATOM 0 HZ1 LYS A 112 -5.472 -10.841 27.149 1.00 61.41 H new ATOM 0 HZ2 LYS A 112 -4.077 -11.485 26.428 1.00 61.41 H new ATOM 0 HZ3 LYS A 112 -4.512 -11.951 28.001 1.00 61.41 H new ATOM 1805 N LYS A 113 -0.579 -13.496 25.119 1.00 11.31 N ATOM 1806 CA LYS A 113 -0.952 -14.906 25.147 1.00 53.10 C ATOM 1807 C LYS A 113 0.239 -15.776 25.538 1.00 44.30 C ATOM 1808 O LYS A 113 0.071 -16.870 26.076 1.00 31.45 O ATOM 1809 CB LYS A 113 -1.488 -15.340 23.782 1.00 3.31 C ATOM 1810 CG LYS A 113 -1.956 -16.785 23.743 1.00 73.25 C ATOM 1811 CD LYS A 113 -2.696 -17.098 22.453 1.00 41.34 C ATOM 1812 CE LYS A 113 -2.387 -18.503 21.960 1.00 44.22 C ATOM 1813 NZ LYS A 113 -1.040 -18.586 21.333 1.00 34.14 N ATOM 0 H LYS A 113 -0.716 -13.042 24.216 1.00 11.31 H new ATOM 0 HA LYS A 113 -1.734 -15.034 25.895 1.00 53.10 H new ATOM 0 HB2 LYS A 113 -2.318 -14.691 23.504 1.00 3.31 H new ATOM 0 HB3 LYS A 113 -0.708 -15.199 23.033 1.00 3.31 H new ATOM 0 HG2 LYS A 113 -1.097 -17.449 23.841 1.00 73.25 H new ATOM 0 HG3 LYS A 113 -2.608 -16.980 24.594 1.00 73.25 H new ATOM 0 HD2 LYS A 113 -3.769 -16.996 22.614 1.00 41.34 H new ATOM 0 HD3 LYS A 113 -2.418 -16.373 21.688 1.00 41.34 H new ATOM 0 HE2 LYS A 113 -2.443 -19.201 22.795 1.00 44.22 H new ATOM 0 HE3 LYS A 113 -3.144 -18.809 21.237 1.00 44.22 H new ATOM 0 HZ1 LYS A 113 -0.874 -19.555 20.995 1.00 34.14 H new ATOM 0 HZ2 LYS A 113 -0.989 -17.926 20.531 1.00 34.14 H new ATOM 0 HZ3 LYS A 113 -0.314 -18.335 22.035 1.00 34.14 H new ATOM 1827 N LYS A 114 1.441 -15.281 25.265 1.00 54.50 N ATOM 1828 CA LYS A 114 2.661 -16.011 25.591 1.00 15.05 C ATOM 1829 C LYS A 114 3.229 -15.552 26.929 1.00 72.21 C ATOM 1830 O LYS A 114 4.442 -15.565 27.137 1.00 1.04 O ATOM 1831 CB LYS A 114 3.705 -15.817 24.488 1.00 63.22 C ATOM 1832 CG LYS A 114 3.442 -16.651 23.247 1.00 23.45 C ATOM 1833 CD LYS A 114 4.277 -17.921 23.241 1.00 22.32 C ATOM 1834 CE LYS A 114 3.416 -19.154 23.013 1.00 14.21 C ATOM 1835 NZ LYS A 114 4.200 -20.277 22.425 1.00 2.31 N ATOM 0 H LYS A 114 1.597 -14.377 24.819 1.00 54.50 H new ATOM 0 HA LYS A 114 2.412 -17.070 25.666 1.00 15.05 H new ATOM 0 HB2 LYS A 114 3.734 -14.764 24.208 1.00 63.22 H new ATOM 0 HB3 LYS A 114 4.689 -16.069 24.883 1.00 63.22 H new ATOM 0 HG2 LYS A 114 2.384 -16.910 23.199 1.00 23.45 H new ATOM 0 HG3 LYS A 114 3.667 -16.062 22.358 1.00 23.45 H new ATOM 0 HD2 LYS A 114 5.035 -17.856 22.460 1.00 22.32 H new ATOM 0 HD3 LYS A 114 4.805 -18.015 24.190 1.00 22.32 H new ATOM 0 HE2 LYS A 114 2.979 -19.472 23.960 1.00 14.21 H new ATOM 0 HE3 LYS A 114 2.589 -18.902 22.349 1.00 14.21 H new ATOM 0 HZ1 LYS A 114 3.578 -21.099 22.285 1.00 2.31 H new ATOM 0 HZ2 LYS A 114 4.596 -19.982 21.510 1.00 2.31 H new ATOM 0 HZ3 LYS A 114 4.974 -20.535 23.070 1.00 2.31 H new ATOM 1849 N ALA A 115 2.345 -15.149 27.835 1.00 62.13 N ATOM 1850 CA ALA A 115 2.759 -14.691 29.156 1.00 4.25 C ATOM 1851 C ALA A 115 3.450 -15.806 29.933 1.00 1.23 C ATOM 1852 O ALA A 115 4.256 -15.544 30.825 1.00 1.01 O ATOM 1853 CB ALA A 115 1.559 -14.168 29.933 1.00 72.50 C ATOM 0 H ALA A 115 1.337 -15.130 27.679 1.00 62.13 H new ATOM 0 HA ALA A 115 3.475 -13.880 29.024 1.00 4.25 H new ATOM 0 HB1 ALA A 115 1.882 -13.829 30.917 1.00 72.50 H new ATOM 0 HB2 ALA A 115 1.110 -13.335 29.392 1.00 72.50 H new ATOM 0 HB3 ALA A 115 0.824 -14.965 30.047 1.00 72.50 H new ATOM 1859 N GLN A 116 3.129 -17.049 29.588 1.00 2.50 N ATOM 1860 CA GLN A 116 3.719 -18.203 30.254 1.00 54.15 C ATOM 1861 C GLN A 116 5.235 -18.211 30.090 1.00 2.14 C ATOM 1862 O GLN A 116 5.966 -18.589 31.005 1.00 31.41 O ATOM 1863 CB GLN A 116 3.127 -19.499 29.697 1.00 51.41 C ATOM 1864 CG GLN A 116 3.452 -19.734 28.232 1.00 32.44 C ATOM 1865 CD GLN A 116 2.339 -20.454 27.495 1.00 14.10 C ATOM 1866 OE1 GLN A 116 1.398 -19.828 27.005 1.00 62.34 O ATOM 1867 NE2 GLN A 116 2.442 -21.775 27.411 1.00 21.12 N ATOM 0 H GLN A 116 2.463 -17.282 28.851 1.00 2.50 H new ATOM 0 HA GLN A 116 3.487 -18.134 31.317 1.00 54.15 H new ATOM 0 HB2 GLN A 116 3.499 -20.340 30.283 1.00 51.41 H new ATOM 0 HB3 GLN A 116 2.044 -19.477 29.822 1.00 51.41 H new ATOM 0 HG2 GLN A 116 3.643 -18.776 27.748 1.00 32.44 H new ATOM 0 HG3 GLN A 116 4.369 -20.318 28.156 1.00 32.44 H new ATOM 0 HE21 GLN A 116 3.239 -22.252 27.832 1.00 21.12 H new ATOM 0 HE22 GLN A 116 1.724 -22.313 26.925 1.00 21.12 H new ATOM 1876 N GLN A 117 5.700 -17.790 28.918 1.00 31.23 N ATOM 1877 CA GLN A 117 7.129 -17.750 28.634 1.00 12.05 C ATOM 1878 C GLN A 117 7.628 -16.311 28.554 1.00 32.44 C ATOM 1879 O GLN A 117 8.621 -16.025 27.885 1.00 13.02 O ATOM 1880 CB GLN A 117 7.432 -18.481 27.324 1.00 2.14 C ATOM 1881 CG GLN A 117 7.560 -19.987 27.484 1.00 22.25 C ATOM 1882 CD GLN A 117 9.003 -20.445 27.565 1.00 5.25 C ATOM 1883 OE1 GLN A 117 9.885 -19.686 27.967 1.00 21.24 O ATOM 1884 NE2 GLN A 117 9.251 -21.692 27.182 1.00 42.44 N ATOM 0 H GLN A 117 5.108 -17.472 28.151 1.00 31.23 H new ATOM 0 HA GLN A 117 7.650 -18.251 29.450 1.00 12.05 H new ATOM 0 HB2 GLN A 117 6.640 -18.266 26.606 1.00 2.14 H new ATOM 0 HB3 GLN A 117 8.358 -18.088 26.904 1.00 2.14 H new ATOM 0 HG2 GLN A 117 7.033 -20.299 28.386 1.00 22.25 H new ATOM 0 HG3 GLN A 117 7.073 -20.481 26.643 1.00 22.25 H new ATOM 0 HE21 GLN A 117 8.489 -22.286 26.856 1.00 42.44 H new ATOM 0 HE22 GLN A 117 10.203 -22.056 27.214 1.00 42.44 H new ATOM 1893 N ALA A 118 6.933 -15.409 29.239 1.00 62.52 N ATOM 1894 CA ALA A 118 7.306 -14.001 29.247 1.00 75.41 C ATOM 1895 C ALA A 118 7.350 -13.452 30.669 1.00 4.40 C ATOM 1896 O ALA A 118 8.233 -12.670 31.015 1.00 50.42 O ATOM 1897 CB ALA A 118 6.338 -13.194 28.396 1.00 2.23 C ATOM 0 H ALA A 118 6.108 -15.629 29.796 1.00 62.52 H new ATOM 0 HA ALA A 118 8.306 -13.913 28.822 1.00 75.41 H new ATOM 0 HB1 ALA A 118 6.629 -12.144 28.411 1.00 2.23 H new ATOM 0 HB2 ALA A 118 6.361 -13.562 27.370 1.00 2.23 H new ATOM 0 HB3 ALA A 118 5.329 -13.297 28.796 1.00 2.23 H new ATOM 1903 N ALA A 119 6.388 -13.867 31.487 1.00 72.34 N ATOM 1904 CA ALA A 119 6.317 -13.417 32.872 1.00 71.53 C ATOM 1905 C ALA A 119 7.626 -13.691 33.606 1.00 52.50 C ATOM 1906 O ALA A 119 7.974 -12.989 34.556 1.00 23.44 O ATOM 1907 CB ALA A 119 5.157 -14.094 33.588 1.00 72.11 C ATOM 0 H ALA A 119 5.648 -14.514 31.215 1.00 72.34 H new ATOM 0 HA ALA A 119 6.150 -12.340 32.870 1.00 71.53 H new ATOM 0 HB1 ALA A 119 5.116 -13.749 34.621 1.00 72.11 H new ATOM 0 HB2 ALA A 119 4.223 -13.844 33.084 1.00 72.11 H new ATOM 0 HB3 ALA A 119 5.300 -15.174 33.572 1.00 72.11 H new ATOM 1913 N ALA A 120 8.346 -14.714 33.159 1.00 63.52 N ATOM 1914 CA ALA A 120 9.617 -15.080 33.773 1.00 42.02 C ATOM 1915 C ALA A 120 10.764 -14.267 33.184 1.00 53.21 C ATOM 1916 O ALA A 120 10.651 -13.721 32.086 1.00 72.31 O ATOM 1917 CB ALA A 120 9.878 -16.569 33.600 1.00 1.14 C ATOM 0 H ALA A 120 8.071 -15.304 32.374 1.00 63.52 H new ATOM 0 HA ALA A 120 9.556 -14.855 34.838 1.00 42.02 H new ATOM 0 HB1 ALA A 120 10.830 -16.828 34.063 1.00 1.14 H new ATOM 0 HB2 ALA A 120 9.077 -17.136 34.075 1.00 1.14 H new ATOM 0 HB3 ALA A 120 9.914 -16.811 32.538 1.00 1.14 H new ATOM 1923 N ASP A 121 11.868 -14.190 33.920 1.00 64.24 N ATOM 1924 CA ASP A 121 13.037 -13.443 33.469 1.00 72.45 C ATOM 1925 C ASP A 121 12.758 -11.944 33.471 1.00 52.11 C ATOM 1926 O ASP A 121 13.217 -11.216 34.353 1.00 24.21 O ATOM 1927 CB ASP A 121 13.449 -13.897 32.068 1.00 73.44 C ATOM 1928 CG ASP A 121 14.806 -14.573 32.054 1.00 53.21 C ATOM 1929 OD1 ASP A 121 14.959 -15.612 32.729 1.00 72.21 O ATOM 1930 OD2 ASP A 121 15.716 -14.062 31.367 1.00 41.35 O ATOM 0 H ASP A 121 11.978 -14.635 34.831 1.00 64.24 H new ATOM 0 HA ASP A 121 13.855 -13.642 34.162 1.00 72.45 H new ATOM 0 HB2 ASP A 121 12.699 -14.585 31.677 1.00 73.44 H new ATOM 0 HB3 ASP A 121 13.469 -13.035 31.401 1.00 73.44 H new ATOM 1935 N THR A 122 12.003 -11.486 32.477 1.00 23.33 N ATOM 1936 CA THR A 122 11.664 -10.073 32.362 1.00 33.31 C ATOM 1937 C THR A 122 12.912 -9.202 32.441 1.00 52.35 C ATOM 1938 O THR A 122 14.036 -9.703 32.418 1.00 44.32 O ATOM 1939 CB THR A 122 10.678 -9.641 33.462 1.00 23.44 C ATOM 1940 OG1 THR A 122 11.374 -9.456 34.700 1.00 30.22 O ATOM 1941 CG2 THR A 122 9.579 -10.678 33.642 1.00 70.13 C ATOM 0 H THR A 122 11.615 -12.074 31.740 1.00 23.33 H new ATOM 0 HA THR A 122 11.191 -9.938 31.389 1.00 33.31 H new ATOM 0 HB THR A 122 10.221 -8.699 33.159 1.00 23.44 H new ATOM 0 HG1 THR A 122 12.220 -9.950 34.676 1.00 30.22 H new ATOM 0 HG21 THR A 122 8.895 -10.351 34.425 1.00 70.13 H new ATOM 0 HG22 THR A 122 9.032 -10.794 32.707 1.00 70.13 H new ATOM 0 HG23 THR A 122 10.022 -11.633 33.924 1.00 70.13 H new ATOM 1949 N GLY A 123 12.708 -7.891 32.538 1.00 1.03 N ATOM 1950 CA GLY A 123 13.826 -6.970 32.620 1.00 44.24 C ATOM 1951 C GLY A 123 13.480 -5.706 33.384 1.00 71.41 C ATOM 1952 O GLY A 123 14.123 -4.672 33.209 1.00 21.55 O ATOM 0 H GLY A 123 11.788 -7.451 32.561 1.00 1.03 H new ATOM 0 HA2 GLY A 123 14.667 -7.466 33.105 1.00 44.24 H new ATOM 0 HA3 GLY A 123 14.150 -6.706 31.613 1.00 44.24 H new ATOM 1956 N ASN A 124 12.461 -5.790 34.234 1.00 14.24 N ATOM 1957 CA ASN A 124 12.031 -4.644 35.025 1.00 3.34 C ATOM 1958 C ASN A 124 11.130 -5.084 36.175 1.00 74.30 C ATOM 1959 O ASN A 124 10.658 -6.219 36.207 1.00 25.33 O ATOM 1960 CB ASN A 124 11.292 -3.636 34.141 1.00 65.31 C ATOM 1961 CG ASN A 124 11.826 -2.226 34.300 1.00 53.12 C ATOM 1962 OD1 ASN A 124 12.071 -1.765 35.416 1.00 33.34 O ATOM 1963 ND2 ASN A 124 12.010 -1.533 33.183 1.00 1.11 N ATOM 0 H ASN A 124 11.919 -6.639 34.392 1.00 14.24 H new ATOM 0 HA ASN A 124 12.919 -4.169 35.443 1.00 3.34 H new ATOM 0 HB2 ASN A 124 11.380 -3.939 33.098 1.00 65.31 H new ATOM 0 HB3 ASN A 124 10.231 -3.650 34.389 1.00 65.31 H new ATOM 0 HD21 ASN A 124 12.368 -0.579 33.228 1.00 1.11 H new ATOM 0 HD22 ASN A 124 11.794 -1.955 32.280 1.00 1.11 H new ATOM 1970 N ASN A 125 10.897 -4.177 37.118 1.00 2.33 N ATOM 1971 CA ASN A 125 10.052 -4.471 38.270 1.00 75.15 C ATOM 1972 C ASN A 125 8.684 -4.979 37.826 1.00 53.55 C ATOM 1973 O ASN A 125 8.029 -4.370 36.980 1.00 13.51 O ATOM 1974 CB ASN A 125 9.890 -3.224 39.141 1.00 23.12 C ATOM 1975 CG ASN A 125 11.008 -3.076 40.155 1.00 20.54 C ATOM 1976 OD1 ASN A 125 11.221 -3.953 40.993 1.00 42.24 O ATOM 1977 ND2 ASN A 125 11.728 -1.964 40.082 1.00 75.10 N ATOM 0 H ASN A 125 11.281 -3.232 37.107 1.00 2.33 H new ATOM 0 HA ASN A 125 10.536 -5.253 38.855 1.00 75.15 H new ATOM 0 HB2 ASN A 125 9.862 -2.340 38.503 1.00 23.12 H new ATOM 0 HB3 ASN A 125 8.934 -3.271 39.663 1.00 23.12 H new ATOM 0 HD21 ASN A 125 12.494 -1.809 40.737 1.00 75.10 H new ATOM 0 HD22 ASN A 125 11.515 -1.264 39.371 1.00 75.10 H new ATOM 1984 N SER A 126 8.258 -6.097 38.405 1.00 2.34 N ATOM 1985 CA SER A 126 6.968 -6.688 38.068 1.00 11.35 C ATOM 1986 C SER A 126 6.576 -7.755 39.085 1.00 50.44 C ATOM 1987 O SER A 126 7.423 -8.275 39.811 1.00 14.11 O ATOM 1988 CB SER A 126 7.014 -7.297 36.665 1.00 23.31 C ATOM 1989 OG SER A 126 5.728 -7.305 36.070 1.00 51.40 O ATOM 0 H SER A 126 8.787 -6.612 39.109 1.00 2.34 H new ATOM 0 HA SER A 126 6.217 -5.898 38.090 1.00 11.35 H new ATOM 0 HB2 SER A 126 7.703 -6.728 36.041 1.00 23.31 H new ATOM 0 HB3 SER A 126 7.399 -8.315 36.720 1.00 23.31 H new ATOM 0 HG SER A 126 5.785 -7.697 35.174 1.00 51.40 H new ATOM 1995 N GLN A 127 5.287 -8.075 39.132 1.00 33.01 N ATOM 1996 CA GLN A 127 4.782 -9.079 40.061 1.00 21.00 C ATOM 1997 C GLN A 127 3.433 -9.619 39.598 1.00 54.53 C ATOM 1998 O GLN A 127 3.339 -10.742 39.102 1.00 40.52 O ATOM 1999 CB GLN A 127 4.654 -8.486 41.464 1.00 63.14 C ATOM 2000 CG GLN A 127 5.732 -8.957 42.425 1.00 74.44 C ATOM 2001 CD GLN A 127 5.463 -10.347 42.969 1.00 15.12 C ATOM 2002 OE1 GLN A 127 4.505 -11.008 42.567 1.00 73.40 O ATOM 2003 NE2 GLN A 127 6.310 -10.799 43.887 1.00 3.51 N ATOM 0 H GLN A 127 4.573 -7.654 38.538 1.00 33.01 H new ATOM 0 HA GLN A 127 5.493 -9.905 40.087 1.00 21.00 H new ATOM 0 HB2 GLN A 127 4.691 -7.399 41.394 1.00 63.14 H new ATOM 0 HB3 GLN A 127 3.677 -8.746 41.871 1.00 63.14 H new ATOM 0 HG2 GLN A 127 6.696 -8.951 41.915 1.00 74.44 H new ATOM 0 HG3 GLN A 127 5.806 -8.254 43.255 1.00 74.44 H new ATOM 0 HE21 GLN A 127 7.091 -10.217 44.191 1.00 3.51 H new ATOM 0 HE22 GLN A 127 6.180 -11.728 44.288 1.00 3.51 H new ATOM 2012 N VAL A 128 2.390 -8.813 39.765 1.00 11.10 N ATOM 2013 CA VAL A 128 1.046 -9.209 39.364 1.00 63.20 C ATOM 2014 C VAL A 128 0.679 -8.617 38.008 1.00 32.22 C ATOM 2015 O VAL A 128 1.017 -7.472 37.706 1.00 33.31 O ATOM 2016 CB VAL A 128 -0.003 -8.770 40.403 1.00 55.34 C ATOM 2017 CG1 VAL A 128 -1.371 -9.336 40.053 1.00 64.03 C ATOM 2018 CG2 VAL A 128 0.420 -9.200 41.799 1.00 51.44 C ATOM 0 H VAL A 128 2.450 -7.881 40.176 1.00 11.10 H new ATOM 0 HA VAL A 128 1.045 -10.297 39.295 1.00 63.20 H new ATOM 0 HB VAL A 128 -0.072 -7.682 40.388 1.00 55.34 H new ATOM 0 HG11 VAL A 128 -2.099 -9.015 40.798 1.00 64.03 H new ATOM 0 HG12 VAL A 128 -1.674 -8.974 39.070 1.00 64.03 H new ATOM 0 HG13 VAL A 128 -1.322 -10.425 40.039 1.00 64.03 H new ATOM 0 HG21 VAL A 128 -0.332 -8.882 42.521 1.00 51.44 H new ATOM 0 HG22 VAL A 128 0.518 -10.285 41.831 1.00 51.44 H new ATOM 0 HG23 VAL A 128 1.377 -8.741 42.047 1.00 51.44 H new ATOM 2028 N SER A 129 -0.016 -9.404 37.193 1.00 33.04 N ATOM 2029 CA SER A 129 -0.426 -8.959 35.866 1.00 23.15 C ATOM 2030 C SER A 129 -1.671 -8.081 35.948 1.00 52.42 C ATOM 2031 O SER A 129 -2.579 -8.348 36.733 1.00 44.34 O ATOM 2032 CB SER A 129 -0.696 -10.163 34.961 1.00 63.04 C ATOM 2033 OG SER A 129 0.198 -11.225 35.247 1.00 21.44 O ATOM 0 H SER A 129 -0.307 -10.353 37.428 1.00 33.04 H new ATOM 0 HA SER A 129 0.386 -8.369 35.441 1.00 23.15 H new ATOM 0 HB2 SER A 129 -1.723 -10.501 35.097 1.00 63.04 H new ATOM 0 HB3 SER A 129 -0.593 -9.868 33.917 1.00 63.04 H new ATOM 0 HG SER A 129 0.005 -11.983 34.657 1.00 21.44 H new ATOM 2039 N GLN A 130 -1.703 -7.034 35.131 1.00 0.44 N ATOM 2040 CA GLN A 130 -2.836 -6.115 35.111 1.00 71.44 C ATOM 2041 C GLN A 130 -3.680 -6.317 33.857 1.00 20.40 C ATOM 2042 O GLN A 130 -3.597 -5.537 32.910 1.00 1.44 O ATOM 2043 CB GLN A 130 -2.347 -4.667 35.184 1.00 5.10 C ATOM 2044 CG GLN A 130 -3.395 -3.697 35.708 1.00 13.15 C ATOM 2045 CD GLN A 130 -3.659 -3.868 37.191 1.00 71.41 C ATOM 2046 OE1 GLN A 130 -2.765 -4.237 37.954 1.00 51.10 O ATOM 2047 NE2 GLN A 130 -4.890 -3.601 37.608 1.00 25.21 N ATOM 0 H GLN A 130 -0.958 -6.800 34.474 1.00 0.44 H new ATOM 0 HA GLN A 130 -3.457 -6.326 35.982 1.00 71.44 H new ATOM 0 HB2 GLN A 130 -1.468 -4.621 35.827 1.00 5.10 H new ATOM 0 HB3 GLN A 130 -2.033 -4.348 34.190 1.00 5.10 H new ATOM 0 HG2 GLN A 130 -3.067 -2.675 35.517 1.00 13.15 H new ATOM 0 HG3 GLN A 130 -4.325 -3.841 35.158 1.00 13.15 H new ATOM 0 HE21 GLN A 130 -5.600 -3.298 36.941 1.00 25.21 H new ATOM 0 HE22 GLN A 130 -5.126 -3.699 38.595 1.00 25.21 H new ATOM 2056 N ASN A 131 -4.490 -7.371 33.858 1.00 63.03 N ATOM 2057 CA ASN A 131 -5.348 -7.676 32.719 1.00 4.11 C ATOM 2058 C ASN A 131 -6.377 -8.741 33.084 1.00 23.44 C ATOM 2059 O ASN A 131 -6.670 -9.635 32.288 1.00 52.25 O ATOM 2060 CB ASN A 131 -4.506 -8.150 31.533 1.00 5.23 C ATOM 2061 CG ASN A 131 -4.979 -7.560 30.218 1.00 22.32 C ATOM 2062 OD1 ASN A 131 -6.172 -7.334 30.019 1.00 64.22 O ATOM 2063 ND2 ASN A 131 -4.042 -7.309 29.311 1.00 31.41 N ATOM 0 H ASN A 131 -4.570 -8.028 34.634 1.00 63.03 H new ATOM 0 HA ASN A 131 -5.877 -6.765 32.440 1.00 4.11 H new ATOM 0 HB2 ASN A 131 -3.464 -7.876 31.698 1.00 5.23 H new ATOM 0 HB3 ASN A 131 -4.544 -9.238 31.475 1.00 5.23 H new ATOM 0 HD21 ASN A 131 -4.300 -6.913 28.407 1.00 31.41 H new ATOM 0 HD22 ASN A 131 -3.064 -7.512 29.518 1.00 31.41 H new ATOM 2070 N TYR A 132 -6.924 -8.641 34.291 1.00 54.12 N ATOM 2071 CA TYR A 132 -7.919 -9.596 34.762 1.00 54.24 C ATOM 2072 C TYR A 132 -7.387 -11.023 34.677 1.00 10.03 C ATOM 2073 O TYR A 132 -7.563 -11.818 35.598 1.00 22.50 O ATOM 2074 CB TYR A 132 -9.205 -9.469 33.945 1.00 63.52 C ATOM 2075 CG TYR A 132 -10.418 -9.115 34.775 1.00 12.20 C ATOM 2076 CD1 TYR A 132 -10.525 -7.873 35.389 1.00 61.31 C ATOM 2077 CD2 TYR A 132 -11.457 -10.022 34.945 1.00 52.12 C ATOM 2078 CE1 TYR A 132 -11.631 -7.546 36.149 1.00 61.24 C ATOM 2079 CE2 TYR A 132 -12.568 -9.703 35.703 1.00 14.33 C ATOM 2080 CZ TYR A 132 -12.649 -8.464 36.303 1.00 2.22 C ATOM 2081 OH TYR A 132 -13.753 -8.141 37.059 1.00 22.54 O ATOM 0 H TYR A 132 -6.694 -7.907 34.961 1.00 54.12 H new ATOM 0 HA TYR A 132 -8.137 -9.371 35.806 1.00 54.24 H new ATOM 0 HB2 TYR A 132 -9.065 -8.707 33.179 1.00 63.52 H new ATOM 0 HB3 TYR A 132 -9.391 -10.410 33.428 1.00 63.52 H new ATOM 0 HD1 TYR A 132 -9.730 -7.151 35.270 1.00 61.31 H new ATOM 0 HD2 TYR A 132 -11.395 -10.993 34.477 1.00 52.12 H new ATOM 0 HE1 TYR A 132 -11.698 -6.577 36.620 1.00 61.24 H new ATOM 0 HE2 TYR A 132 -13.367 -10.419 35.825 1.00 14.33 H new ATOM 0 HH TYR A 132 -14.377 -8.896 37.066 1.00 22.54 H new TER 2091 TYR A 132 HETATM 2092 C1 MYR A 1 5.290 13.471 1.006 1.00 13.30 C HETATM 2093 O1 MYR A 1 4.533 13.174 1.929 1.00 42.13 O HETATM 2094 C2 MYR A 1 6.607 12.705 0.871 1.00 0.40 C HETATM 2095 C3 MYR A 1 6.732 11.865 -0.421 1.00 41.44 C HETATM 2096 C4 MYR A 1 5.912 10.563 -0.347 1.00 1.24 C HETATM 2097 C5 MYR A 1 4.429 10.791 -0.697 1.00 74.20 C HETATM 2098 C6 MYR A 1 3.701 9.473 -1.027 1.00 11.20 C HETATM 2099 C7 MYR A 1 3.299 8.698 0.242 1.00 2.02 C HETATM 2100 C8 MYR A 1 2.445 7.456 -0.079 1.00 12.44 C HETATM 2101 C9 MYR A 1 3.249 6.376 -0.828 1.00 61.31 C HETATM 2102 C10 MYR A 1 2.339 5.295 -1.448 1.00 23.12 C HETATM 2103 C11 MYR A 1 1.479 4.526 -0.423 1.00 30.55 C HETATM 2104 C12 MYR A 1 1.536 2.991 -0.573 1.00 75.43 C HETATM 2105 C13 MYR A 1 0.182 2.325 -0.269 1.00 33.10 C HETATM 2106 C14 MYR A 1 0.271 0.794 -0.336 1.00 14.12 C HETATM 0 H143 MYR A 1 0.584 0.491 -1.335 1.00 14.12 H new HETATM 0 H142 MYR A 1 0.998 0.439 0.395 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.705 0.363 -0.115 1.00 14.12 H new HETATM 0 H132 MYR A 1 -0.157 2.626 0.722 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.564 2.677 -0.981 1.00 33.10 H new HETATM 0 H122 MYR A 1 1.843 2.738 -1.588 1.00 75.43 H new HETATM 0 H121 MYR A 1 2.295 2.590 0.099 1.00 75.43 H new HETATM 0 H112 MYR A 1 1.806 4.794 0.582 1.00 30.55 H new HETATM 0 H111 MYR A 1 0.443 4.851 -0.519 1.00 30.55 H new HETATM 0 H102 MYR A 1 1.680 5.766 -2.177 1.00 23.12 H new HETATM 0 H101 MYR A 1 2.959 4.583 -1.992 1.00 23.12 H new HETATM 0 H92 MYR A 1 3.840 6.846 -1.615 1.00 61.31 H new HETATM 0 H91 MYR A 1 3.951 5.906 -0.140 1.00 61.31 H new HETATM 0 H82 MYR A 1 2.053 7.037 0.848 1.00 12.44 H new HETATM 0 H81 MYR A 1 1.588 7.753 -0.683 1.00 12.44 H new HETATM 0 H72 MYR A 1 4.197 8.390 0.777 1.00 2.02 H new HETATM 0 H71 MYR A 1 2.742 9.358 0.907 1.00 2.02 H new HETATM 0 H62 MYR A 1 2.810 9.690 -1.616 1.00 11.20 H new HETATM 0 H61 MYR A 1 4.347 8.848 -1.644 1.00 11.20 H new HETATM 0 H52 MYR A 1 3.931 11.280 0.140 1.00 74.20 H new HETATM 0 H51 MYR A 1 4.358 11.467 -1.549 1.00 74.20 H new HETATM 0 H42 MYR A 1 6.337 9.828 -1.031 1.00 1.24 H new HETATM 0 H41 MYR A 1 5.987 10.145 0.657 1.00 1.24 H new HETATM 0 H32 MYR A 1 6.395 12.457 -1.272 1.00 41.44 H new HETATM 0 H31 MYR A 1 7.780 11.623 -0.596 1.00 41.44 H new HETATM 0 H22 MYR A 1 7.432 13.417 0.907 1.00 0.40 H new HETATM 0 H21 MYR A 1 6.718 12.044 1.731 1.00 0.40 H new