USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 SER OG : rot 82:sc= 0.804 USER MOD Set 1.2: A 111 GLN : amide:sc= -0.0353 K(o=0.77,f=-0.73) USER MOD Set 2.1: A 80 HIS : no HD1:sc= 0.0211 K(o=0.78,f=-8.1!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.609 K(o=0.78,f=-4.6) USER MOD Set 2.3: A 145 SER OG : rot 110:sc= 1.37 USER MOD Set 3.1: A 66 GLN : amide:sc= -3.11 K(o=-2.3,f=-10!) USER MOD Set 3.2: A 70 SER OG : rot -61:sc= 0.804 USER MOD Set 4.1: A 50 LYS NZ :NH3+ 174:sc= 0.615 (180deg=0) USER MOD Set 4.2: A 115 ASN : amide:sc= 0.546 K(o=1.2,f=-4.7) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.043 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 44 GLN : amide:sc= 0.117 K(o=0.12,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0666) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 1.04 (180deg=0.871) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot -9:sc= 0.389 USER MOD Single : A 71 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.6!) USER MOD Single : A 75 GLN : amide:sc= -0.533 K(o=-0.53,f=-4.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.09! C(o=-1.1!,f=-4.4!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0942 USER MOD Single : A 113 TYR OH : rot -121:sc= 0.179 USER MOD Single : A 122 CYS SG : rot 131:sc= -0.713 USER MOD Single : A 127 GLN : amide:sc= 0.89 K(o=0.89,f=-0.012) USER MOD Single : A 128 MET CE :methyl -179:sc= -1.52 (180deg=-1.53) USER MOD Single : A 130 GLN : amide:sc= 0.523 K(o=0.52,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 138:sc= 0.55 (180deg=-0.376!) USER MOD Single : A 144 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.640 1.797 -0.659 1.00 16.34 N ATOM 2 CA GLY A 1 -21.593 2.388 -1.615 1.00 16.25 C ATOM 3 C GLY A 1 -20.878 2.984 -2.809 1.00 15.17 C ATOM 4 O GLY A 1 -19.734 3.414 -2.690 1.00 15.02 O ATOM 0 H1 GLY A 1 -20.887 2.095 0.306 1.00 16.34 H new ATOM 0 H2 GLY A 1 -20.682 0.760 -0.723 1.00 16.34 H new ATOM 0 H3 GLY A 1 -19.677 2.119 -0.885 1.00 16.34 H new ATOM 0 HA2 GLY A 1 -22.294 1.624 -1.952 1.00 16.25 H new ATOM 0 HA3 GLY A 1 -22.179 3.160 -1.117 1.00 16.25 H new ATOM 10 N SER A 2 -21.552 3.025 -3.959 1.00 14.77 N ATOM 11 CA SER A 2 -21.065 3.519 -5.263 1.00 14.04 C ATOM 12 C SER A 2 -19.903 2.744 -5.915 1.00 13.01 C ATOM 13 O SER A 2 -19.470 3.134 -6.999 1.00 12.72 O ATOM 14 CB SER A 2 -20.764 5.029 -5.242 1.00 14.78 C ATOM 15 OG SER A 2 -21.819 5.804 -4.690 1.00 15.40 O ATOM 0 H SER A 2 -22.515 2.695 -4.016 1.00 14.77 H new ATOM 0 HA SER A 2 -21.917 3.322 -5.914 1.00 14.04 H new ATOM 0 HB2 SER A 2 -19.855 5.203 -4.667 1.00 14.78 H new ATOM 0 HB3 SER A 2 -20.567 5.368 -6.259 1.00 14.78 H new ATOM 0 HG SER A 2 -21.570 6.752 -4.702 1.00 15.40 H new ATOM 21 N PHE A 3 -19.396 1.645 -5.336 1.00 12.73 N ATOM 22 CA PHE A 3 -18.233 0.913 -5.871 1.00 11.95 C ATOM 23 C PHE A 3 -18.510 -0.567 -6.177 1.00 11.37 C ATOM 24 O PHE A 3 -19.355 -1.200 -5.534 1.00 11.82 O ATOM 25 CB PHE A 3 -17.046 1.020 -4.908 1.00 12.34 C ATOM 26 CG PHE A 3 -16.687 2.406 -4.400 1.00 13.23 C ATOM 27 CD1 PHE A 3 -16.493 3.478 -5.294 1.00 13.53 C ATOM 28 CD2 PHE A 3 -16.529 2.619 -3.017 1.00 14.09 C ATOM 29 CE1 PHE A 3 -16.174 4.757 -4.805 1.00 14.62 C ATOM 30 CE2 PHE A 3 -16.204 3.897 -2.529 1.00 15.11 C ATOM 31 CZ PHE A 3 -16.038 4.969 -3.422 1.00 15.35 C ATOM 0 H PHE A 3 -19.779 1.237 -4.483 1.00 12.73 H new ATOM 0 HA PHE A 3 -18.000 1.390 -6.823 1.00 11.95 H new ATOM 0 HB2 PHE A 3 -17.253 0.387 -4.045 1.00 12.34 H new ATOM 0 HB3 PHE A 3 -16.169 0.605 -5.405 1.00 12.34 H new ATOM 0 HD1 PHE A 3 -16.590 3.317 -6.357 1.00 13.53 H new ATOM 0 HD2 PHE A 3 -16.658 1.797 -2.328 1.00 14.09 H new ATOM 0 HE1 PHE A 3 -16.033 5.578 -5.493 1.00 14.62 H new ATOM 0 HE2 PHE A 3 -16.082 4.055 -1.468 1.00 15.11 H new ATOM 0 HZ PHE A 3 -15.806 5.955 -3.046 1.00 15.35 H new ATOM 41 N THR A 4 -17.775 -1.140 -7.139 1.00 10.64 N ATOM 42 CA THR A 4 -17.809 -2.585 -7.453 1.00 10.35 C ATOM 43 C THR A 4 -16.417 -3.187 -7.681 1.00 9.66 C ATOM 44 O THR A 4 -15.456 -2.476 -7.986 1.00 9.55 O ATOM 45 CB THR A 4 -18.770 -2.918 -8.612 1.00 10.50 C ATOM 46 OG1 THR A 4 -18.463 -2.253 -9.823 1.00 10.08 O ATOM 47 CG2 THR A 4 -20.205 -2.534 -8.251 1.00 11.75 C ATOM 0 H THR A 4 -17.132 -0.613 -7.730 1.00 10.64 H new ATOM 0 HA THR A 4 -18.208 -3.064 -6.559 1.00 10.35 H new ATOM 0 HB THR A 4 -18.657 -3.992 -8.763 1.00 10.50 H new ATOM 0 HG1 THR A 4 -19.110 -2.512 -10.512 1.00 10.08 H new ATOM 0 HG21 THR A 4 -20.867 -2.777 -9.082 1.00 11.75 H new ATOM 0 HG22 THR A 4 -20.517 -3.086 -7.365 1.00 11.75 H new ATOM 0 HG23 THR A 4 -20.255 -1.464 -8.048 1.00 11.75 H new ATOM 55 N MET A 5 -16.285 -4.500 -7.468 1.00 9.75 N ATOM 56 CA MET A 5 -15.022 -5.258 -7.489 1.00 9.64 C ATOM 57 C MET A 5 -14.224 -5.157 -8.805 1.00 8.61 C ATOM 58 O MET A 5 -14.774 -4.846 -9.863 1.00 8.12 O ATOM 59 CB MET A 5 -15.312 -6.728 -7.110 1.00 10.46 C ATOM 60 CG MET A 5 -16.312 -7.466 -8.008 1.00 10.53 C ATOM 61 SD MET A 5 -15.739 -7.911 -9.674 1.00 9.87 S ATOM 62 CE MET A 5 -17.321 -8.005 -10.553 1.00 10.80 C ATOM 0 H MET A 5 -17.090 -5.094 -7.267 1.00 9.75 H new ATOM 0 HA MET A 5 -14.366 -4.797 -6.751 1.00 9.64 H new ATOM 0 HB2 MET A 5 -14.371 -7.278 -7.119 1.00 10.46 H new ATOM 0 HB3 MET A 5 -15.686 -6.752 -6.086 1.00 10.46 H new ATOM 0 HG2 MET A 5 -16.617 -8.380 -7.498 1.00 10.53 H new ATOM 0 HG3 MET A 5 -17.202 -6.845 -8.109 1.00 10.53 H new ATOM 0 HE1 MET A 5 -17.143 -8.270 -11.595 1.00 10.80 H new ATOM 0 HE2 MET A 5 -17.951 -8.764 -10.088 1.00 10.80 H new ATOM 0 HE3 MET A 5 -17.822 -7.038 -10.505 1.00 10.80 H new ATOM 72 N GLY A 35 -12.918 -5.440 -8.743 1.00 8.78 N ATOM 73 CA GLY A 35 -12.061 -5.598 -9.924 1.00 8.13 C ATOM 74 C GLY A 35 -12.318 -6.917 -10.669 1.00 7.47 C ATOM 75 O GLY A 35 -12.406 -7.976 -10.042 1.00 8.22 O ATOM 0 H GLY A 35 -12.421 -5.567 -7.862 1.00 8.78 H new ATOM 0 HA2 GLY A 35 -12.228 -4.763 -10.604 1.00 8.13 H new ATOM 0 HA3 GLY A 35 -11.016 -5.556 -9.618 1.00 8.13 H new ATOM 79 N ALA A 36 -12.420 -6.852 -12.001 1.00 6.64 N ATOM 80 CA ALA A 36 -12.801 -7.967 -12.878 1.00 6.50 C ATOM 81 C ALA A 36 -11.817 -8.258 -14.032 1.00 5.44 C ATOM 82 O ALA A 36 -11.871 -9.344 -14.609 1.00 5.50 O ATOM 83 CB ALA A 36 -14.210 -7.688 -13.415 1.00 7.50 C ATOM 0 H ALA A 36 -12.233 -5.992 -12.517 1.00 6.64 H new ATOM 0 HA ALA A 36 -12.774 -8.874 -12.275 1.00 6.50 H new ATOM 0 HB1 ALA A 36 -14.517 -8.503 -14.071 1.00 7.50 H new ATOM 0 HB2 ALA A 36 -14.908 -7.610 -12.582 1.00 7.50 H new ATOM 0 HB3 ALA A 36 -14.207 -6.753 -13.975 1.00 7.50 H new ATOM 89 N GLY A 37 -10.908 -7.333 -14.356 1.00 5.14 N ATOM 90 CA GLY A 37 -9.851 -7.539 -15.360 1.00 4.57 C ATOM 91 C GLY A 37 -8.832 -8.619 -14.964 1.00 4.36 C ATOM 92 O GLY A 37 -8.733 -8.996 -13.791 1.00 5.26 O ATOM 0 H GLY A 37 -10.882 -6.409 -13.926 1.00 5.14 H new ATOM 0 HA2 GLY A 37 -10.311 -7.815 -16.309 1.00 4.57 H new ATOM 0 HA3 GLY A 37 -9.326 -6.597 -15.522 1.00 4.57 H new ATOM 96 N GLY A 38 -8.059 -9.132 -15.929 1.00 3.83 N ATOM 97 CA GLY A 38 -7.125 -10.235 -15.670 1.00 3.92 C ATOM 98 C GLY A 38 -6.095 -10.532 -16.767 1.00 2.97 C ATOM 99 O GLY A 38 -6.104 -9.920 -17.836 1.00 3.14 O ATOM 0 H GLY A 38 -8.062 -8.802 -16.894 1.00 3.83 H new ATOM 0 HA2 GLY A 38 -6.587 -10.017 -14.747 1.00 3.92 H new ATOM 0 HA3 GLY A 38 -7.706 -11.140 -15.494 1.00 3.92 H new ATOM 103 N GLY A 39 -5.206 -11.496 -16.510 1.00 3.03 N ATOM 104 CA GLY A 39 -4.240 -12.054 -17.467 1.00 2.80 C ATOM 105 C GLY A 39 -2.988 -11.205 -17.725 1.00 2.58 C ATOM 106 O GLY A 39 -2.478 -11.183 -18.847 1.00 3.19 O ATOM 0 H GLY A 39 -5.135 -11.929 -15.589 1.00 3.03 H new ATOM 0 HA2 GLY A 39 -3.924 -13.033 -17.106 1.00 2.80 H new ATOM 0 HA3 GLY A 39 -4.750 -12.214 -18.417 1.00 2.80 H new ATOM 110 N GLY A 40 -2.492 -10.489 -16.714 1.00 2.13 N ATOM 111 CA GLY A 40 -1.377 -9.555 -16.835 1.00 2.01 C ATOM 112 C GLY A 40 -1.767 -8.214 -17.459 1.00 1.96 C ATOM 113 O GLY A 40 -2.934 -7.937 -17.752 1.00 3.17 O ATOM 0 H GLY A 40 -2.865 -10.546 -15.767 1.00 2.13 H new ATOM 0 HA2 GLY A 40 -0.954 -9.377 -15.846 1.00 2.01 H new ATOM 0 HA3 GLY A 40 -0.594 -10.013 -17.439 1.00 2.01 H new ATOM 117 N SER A 41 -0.746 -7.393 -17.674 1.00 1.00 N ATOM 118 CA SER A 41 -0.797 -5.983 -18.081 1.00 0.90 C ATOM 119 C SER A 41 -1.449 -5.052 -17.042 1.00 0.71 C ATOM 120 O SER A 41 -2.013 -5.479 -16.036 1.00 0.61 O ATOM 121 CB SER A 41 -1.464 -5.882 -19.452 1.00 1.26 C ATOM 122 OG SER A 41 -1.264 -4.623 -20.064 1.00 2.26 O ATOM 0 H SER A 41 0.215 -7.715 -17.561 1.00 1.00 H new ATOM 0 HA SER A 41 0.230 -5.623 -18.149 1.00 0.90 H new ATOM 0 HB2 SER A 41 -1.071 -6.664 -20.102 1.00 1.26 H new ATOM 0 HB3 SER A 41 -2.533 -6.064 -19.346 1.00 1.26 H new ATOM 0 HG SER A 41 -1.708 -4.610 -20.938 1.00 2.26 H new ATOM 128 N ALA A 42 -1.397 -3.747 -17.301 1.00 0.73 N ATOM 129 CA ALA A 42 -1.896 -2.693 -16.417 1.00 0.67 C ATOM 130 C ALA A 42 -3.363 -2.908 -15.998 1.00 0.65 C ATOM 131 O ALA A 42 -3.708 -2.702 -14.839 1.00 0.65 O ATOM 132 CB ALA A 42 -1.718 -1.358 -17.145 1.00 0.77 C ATOM 0 H ALA A 42 -0.992 -3.380 -18.162 1.00 0.73 H new ATOM 0 HA ALA A 42 -1.327 -2.707 -15.488 1.00 0.67 H new ATOM 0 HB1 ALA A 42 -2.081 -0.548 -16.513 1.00 0.77 H new ATOM 0 HB2 ALA A 42 -0.662 -1.202 -17.365 1.00 0.77 H new ATOM 0 HB3 ALA A 42 -2.284 -1.373 -18.076 1.00 0.77 H new ATOM 138 N GLU A 43 -4.213 -3.406 -16.903 1.00 0.67 N ATOM 139 CA GLU A 43 -5.623 -3.715 -16.622 1.00 0.69 C ATOM 140 C GLU A 43 -5.841 -4.858 -15.607 1.00 0.62 C ATOM 141 O GLU A 43 -6.877 -4.878 -14.936 1.00 0.66 O ATOM 142 CB GLU A 43 -6.369 -3.990 -17.937 1.00 0.80 C ATOM 143 CG GLU A 43 -5.826 -5.192 -18.727 1.00 0.84 C ATOM 144 CD GLU A 43 -6.614 -5.404 -20.022 1.00 1.60 C ATOM 145 OE1 GLU A 43 -7.816 -5.754 -19.949 1.00 2.97 O ATOM 146 OE2 GLU A 43 -6.026 -5.274 -21.128 1.00 1.96 O ATOM 0 H GLU A 43 -3.939 -3.609 -17.864 1.00 0.67 H new ATOM 0 HA GLU A 43 -6.037 -2.831 -16.137 1.00 0.69 H new ATOM 0 HB2 GLU A 43 -7.423 -4.160 -17.716 1.00 0.80 H new ATOM 0 HB3 GLU A 43 -6.315 -3.101 -18.566 1.00 0.80 H new ATOM 0 HG2 GLU A 43 -4.773 -5.032 -18.961 1.00 0.84 H new ATOM 0 HG3 GLU A 43 -5.883 -6.090 -18.112 1.00 0.84 H new ATOM 153 N GLN A 44 -4.870 -5.767 -15.440 1.00 0.57 N ATOM 154 CA GLN A 44 -4.861 -6.755 -14.354 1.00 0.57 C ATOM 155 C GLN A 44 -4.488 -6.087 -13.036 1.00 0.52 C ATOM 156 O GLN A 44 -5.204 -6.251 -12.051 1.00 0.52 O ATOM 157 CB GLN A 44 -3.863 -7.879 -14.673 1.00 0.67 C ATOM 158 CG GLN A 44 -3.486 -8.816 -13.506 1.00 0.78 C ATOM 159 CD GLN A 44 -4.640 -9.659 -12.980 1.00 0.84 C ATOM 160 OE1 GLN A 44 -4.800 -10.814 -13.344 1.00 1.15 O ATOM 161 NE2 GLN A 44 -5.499 -9.116 -12.147 1.00 0.82 N ATOM 0 H GLN A 44 -4.063 -5.837 -16.060 1.00 0.57 H new ATOM 0 HA GLN A 44 -5.860 -7.182 -14.261 1.00 0.57 H new ATOM 0 HB2 GLN A 44 -4.278 -8.486 -15.478 1.00 0.67 H new ATOM 0 HB3 GLN A 44 -2.949 -7.425 -15.055 1.00 0.67 H new ATOM 0 HG2 GLN A 44 -2.686 -9.480 -13.833 1.00 0.78 H new ATOM 0 HG3 GLN A 44 -3.088 -8.216 -12.688 1.00 0.78 H new ATOM 0 HE21 GLN A 44 -5.371 -8.152 -11.839 1.00 0.82 H new ATOM 0 HE22 GLN A 44 -6.294 -9.659 -11.808 1.00 0.82 H new ATOM 170 N LEU A 45 -3.370 -5.358 -12.995 1.00 0.50 N ATOM 171 CA LEU A 45 -2.885 -4.670 -11.797 1.00 0.48 C ATOM 172 C LEU A 45 -3.918 -3.659 -11.273 1.00 0.46 C ATOM 173 O LEU A 45 -4.117 -3.565 -10.069 1.00 0.44 O ATOM 174 CB LEU A 45 -1.556 -3.994 -12.155 1.00 0.51 C ATOM 175 CG LEU A 45 -0.312 -4.905 -12.189 1.00 0.50 C ATOM 176 CD1 LEU A 45 0.221 -5.153 -10.776 1.00 0.51 C ATOM 177 CD2 LEU A 45 -0.493 -6.267 -12.864 1.00 0.54 C ATOM 0 H LEU A 45 -2.767 -5.227 -13.807 1.00 0.50 H new ATOM 0 HA LEU A 45 -2.730 -5.385 -10.989 1.00 0.48 H new ATOM 0 HB2 LEU A 45 -1.663 -3.525 -13.133 1.00 0.51 H new ATOM 0 HB3 LEU A 45 -1.375 -3.194 -11.437 1.00 0.51 H new ATOM 0 HG LEU A 45 0.391 -4.343 -12.804 1.00 0.50 H new ATOM 0 HD11 LEU A 45 1.098 -5.798 -10.826 1.00 0.51 H new ATOM 0 HD12 LEU A 45 0.495 -4.202 -10.319 1.00 0.51 H new ATOM 0 HD13 LEU A 45 -0.550 -5.635 -10.176 1.00 0.51 H new ATOM 0 HD21 LEU A 45 0.446 -6.819 -12.828 1.00 0.54 H new ATOM 0 HD22 LEU A 45 -1.266 -6.832 -12.343 1.00 0.54 H new ATOM 0 HD23 LEU A 45 -0.789 -6.122 -13.903 1.00 0.54 H new ATOM 189 N ASP A 46 -4.657 -3.011 -12.173 1.00 0.50 N ATOM 190 CA ASP A 46 -5.818 -2.153 -11.889 1.00 0.49 C ATOM 191 C ASP A 46 -6.934 -2.925 -11.148 1.00 0.49 C ATOM 192 O ASP A 46 -7.433 -2.522 -10.095 1.00 0.51 O ATOM 193 CB ASP A 46 -6.296 -1.623 -13.249 1.00 0.58 C ATOM 194 CG ASP A 46 -7.513 -0.705 -13.198 1.00 0.76 C ATOM 195 OD1 ASP A 46 -7.410 0.434 -12.679 1.00 1.79 O ATOM 196 OD2 ASP A 46 -8.578 -1.106 -13.728 1.00 1.60 O ATOM 0 H ASP A 46 -4.456 -3.070 -13.171 1.00 0.50 H new ATOM 0 HA ASP A 46 -5.547 -1.334 -11.223 1.00 0.49 H new ATOM 0 HB2 ASP A 46 -5.474 -1.084 -13.720 1.00 0.58 H new ATOM 0 HB3 ASP A 46 -6.529 -2.473 -13.891 1.00 0.58 H new ATOM 201 N ALA A 47 -7.249 -4.124 -11.636 1.00 0.50 N ATOM 202 CA ALA A 47 -8.262 -4.985 -11.027 1.00 0.56 C ATOM 203 C ALA A 47 -7.760 -5.529 -9.684 1.00 0.58 C ATOM 204 O ALA A 47 -8.552 -5.784 -8.782 1.00 0.65 O ATOM 205 CB ALA A 47 -8.588 -6.120 -12.005 1.00 0.59 C ATOM 0 H ALA A 47 -6.810 -4.526 -12.464 1.00 0.50 H new ATOM 0 HA ALA A 47 -9.170 -4.416 -10.826 1.00 0.56 H new ATOM 0 HB1 ALA A 47 -9.343 -6.773 -11.566 1.00 0.59 H new ATOM 0 HB2 ALA A 47 -8.968 -5.700 -12.936 1.00 0.59 H new ATOM 0 HB3 ALA A 47 -7.685 -6.695 -12.209 1.00 0.59 H new ATOM 211 N LEU A 48 -6.440 -5.653 -9.533 1.00 0.57 N ATOM 212 CA LEU A 48 -5.770 -6.110 -8.325 1.00 0.56 C ATOM 213 C LEU A 48 -5.655 -5.012 -7.249 1.00 0.53 C ATOM 214 O LEU A 48 -5.828 -5.308 -6.072 1.00 0.62 O ATOM 215 CB LEU A 48 -4.405 -6.686 -8.745 1.00 0.51 C ATOM 216 CG LEU A 48 -4.243 -8.186 -8.472 1.00 0.88 C ATOM 217 CD1 LEU A 48 -2.968 -8.718 -9.121 1.00 0.98 C ATOM 218 CD2 LEU A 48 -4.193 -8.444 -6.987 1.00 1.41 C ATOM 0 H LEU A 48 -5.786 -5.427 -10.283 1.00 0.57 H new ATOM 0 HA LEU A 48 -6.365 -6.886 -7.843 1.00 0.56 H new ATOM 0 HB2 LEU A 48 -4.259 -6.504 -9.810 1.00 0.51 H new ATOM 0 HB3 LEU A 48 -3.618 -6.146 -8.219 1.00 0.51 H new ATOM 0 HG LEU A 48 -5.102 -8.702 -8.901 1.00 0.88 H new ATOM 0 HD11 LEU A 48 -2.872 -9.784 -8.915 1.00 0.98 H new ATOM 0 HD12 LEU A 48 -3.015 -8.559 -10.198 1.00 0.98 H new ATOM 0 HD13 LEU A 48 -2.105 -8.191 -8.714 1.00 0.98 H new ATOM 0 HD21 LEU A 48 -4.078 -9.513 -6.807 1.00 1.41 H new ATOM 0 HD22 LEU A 48 -3.348 -7.910 -6.553 1.00 1.41 H new ATOM 0 HD23 LEU A 48 -5.117 -8.096 -6.526 1.00 1.41 H new ATOM 230 N VAL A 49 -5.488 -3.734 -7.609 1.00 0.48 N ATOM 231 CA VAL A 49 -5.708 -2.625 -6.656 1.00 0.51 C ATOM 232 C VAL A 49 -7.193 -2.411 -6.348 1.00 0.56 C ATOM 233 O VAL A 49 -7.521 -1.797 -5.335 1.00 0.70 O ATOM 234 CB VAL A 49 -5.043 -1.306 -7.080 1.00 0.48 C ATOM 235 CG1 VAL A 49 -3.533 -1.404 -7.189 1.00 0.44 C ATOM 236 CG2 VAL A 49 -5.525 -0.770 -8.422 1.00 0.50 C ATOM 0 H VAL A 49 -5.204 -3.438 -8.543 1.00 0.48 H new ATOM 0 HA VAL A 49 -5.213 -2.941 -5.738 1.00 0.51 H new ATOM 0 HB VAL A 49 -5.335 -0.629 -6.277 1.00 0.48 H new ATOM 0 HG11 VAL A 49 -3.127 -0.439 -7.492 1.00 0.44 H new ATOM 0 HG12 VAL A 49 -3.116 -1.686 -6.222 1.00 0.44 H new ATOM 0 HG13 VAL A 49 -3.270 -2.158 -7.931 1.00 0.44 H new ATOM 0 HG21 VAL A 49 -5.008 0.162 -8.648 1.00 0.50 H new ATOM 0 HG22 VAL A 49 -5.314 -1.501 -9.203 1.00 0.50 H new ATOM 0 HG23 VAL A 49 -6.599 -0.588 -8.377 1.00 0.50 H new ATOM 246 N LYS A 50 -8.101 -2.945 -7.178 1.00 0.50 N ATOM 247 CA LYS A 50 -9.546 -3.021 -6.937 1.00 0.45 C ATOM 248 C LYS A 50 -10.061 -4.319 -6.294 1.00 0.40 C ATOM 249 O LYS A 50 -11.273 -4.478 -6.112 1.00 0.45 O ATOM 250 CB LYS A 50 -10.181 -2.732 -8.292 1.00 0.50 C ATOM 251 CG LYS A 50 -10.024 -1.261 -8.688 1.00 1.28 C ATOM 252 CD LYS A 50 -10.581 -0.201 -7.726 1.00 0.73 C ATOM 253 CE LYS A 50 -12.033 -0.499 -7.349 1.00 1.33 C ATOM 254 NZ LYS A 50 -12.682 0.632 -6.650 1.00 2.44 N ATOM 0 H LYS A 50 -7.835 -3.353 -8.074 1.00 0.50 H new ATOM 0 HA LYS A 50 -9.827 -2.296 -6.173 1.00 0.45 H new ATOM 0 HB2 LYS A 50 -9.722 -3.365 -9.052 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -11.240 -2.990 -8.260 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -8.961 -1.062 -8.827 1.00 1.28 H new ATOM 0 HG3 LYS A 50 -10.504 -1.121 -9.656 1.00 1.28 H new ATOM 0 HD2 LYS A 50 -9.969 -0.168 -6.825 1.00 0.73 H new ATOM 0 HD3 LYS A 50 -10.519 0.783 -8.190 1.00 0.73 H new ATOM 0 HE2 LYS A 50 -12.597 -0.736 -8.251 1.00 1.33 H new ATOM 0 HE3 LYS A 50 -12.065 -1.382 -6.711 1.00 1.33 H new ATOM 0 HZ1 LYS A 50 -13.690 0.419 -6.507 1.00 2.44 H new ATOM 0 HZ2 LYS A 50 -12.225 0.778 -5.727 1.00 2.44 H new ATOM 0 HZ3 LYS A 50 -12.588 1.495 -7.223 1.00 2.44 H new ATOM 268 N LYS A 51 -9.168 -5.234 -5.912 1.00 0.39 N ATOM 269 CA LYS A 51 -9.488 -6.480 -5.188 1.00 0.43 C ATOM 270 C LYS A 51 -9.888 -6.239 -3.732 1.00 0.50 C ATOM 271 O LYS A 51 -10.791 -6.904 -3.228 1.00 0.73 O ATOM 272 CB LYS A 51 -8.261 -7.398 -5.268 1.00 0.62 C ATOM 273 CG LYS A 51 -8.503 -8.775 -5.871 1.00 0.60 C ATOM 274 CD LYS A 51 -9.063 -8.779 -7.305 1.00 1.26 C ATOM 275 CE LYS A 51 -8.073 -9.340 -8.335 1.00 0.96 C ATOM 276 NZ LYS A 51 -7.814 -10.783 -8.131 1.00 1.40 N ATOM 0 H LYS A 51 -8.171 -5.132 -6.100 1.00 0.39 H new ATOM 0 HA LYS A 51 -10.355 -6.943 -5.659 1.00 0.43 H new ATOM 0 HB2 LYS A 51 -7.492 -6.895 -5.854 1.00 0.62 H new ATOM 0 HB3 LYS A 51 -7.861 -7.528 -4.262 1.00 0.62 H new ATOM 0 HG2 LYS A 51 -7.563 -9.326 -5.865 1.00 0.60 H new ATOM 0 HG3 LYS A 51 -9.195 -9.318 -5.227 1.00 0.60 H new ATOM 0 HD2 LYS A 51 -9.978 -9.370 -7.330 1.00 1.26 H new ATOM 0 HD3 LYS A 51 -9.333 -7.761 -7.586 1.00 1.26 H new ATOM 0 HE2 LYS A 51 -8.467 -9.181 -9.339 1.00 0.96 H new ATOM 0 HE3 LYS A 51 -7.134 -8.791 -8.270 1.00 0.96 H new ATOM 0 HZ1 LYS A 51 -7.324 -11.169 -8.963 1.00 1.40 H new ATOM 0 HZ2 LYS A 51 -7.219 -10.913 -7.288 1.00 1.40 H new ATOM 0 HZ3 LYS A 51 -8.717 -11.282 -7.999 1.00 1.40 H new ATOM 290 N ASP A 52 -9.265 -5.249 -3.095 1.00 0.46 N ATOM 291 CA ASP A 52 -9.637 -4.733 -1.775 1.00 0.47 C ATOM 292 C ASP A 52 -9.750 -3.202 -1.802 1.00 0.44 C ATOM 293 O ASP A 52 -9.542 -2.577 -2.846 1.00 0.44 O ATOM 294 CB ASP A 52 -8.614 -5.210 -0.730 1.00 0.46 C ATOM 295 CG ASP A 52 -9.311 -5.668 0.546 1.00 0.62 C ATOM 296 OD1 ASP A 52 -10.010 -4.824 1.133 1.00 1.51 O ATOM 297 OD2 ASP A 52 -9.256 -6.858 0.938 1.00 2.06 O ATOM 0 H ASP A 52 -8.460 -4.767 -3.495 1.00 0.46 H new ATOM 0 HA ASP A 52 -10.617 -5.121 -1.498 1.00 0.47 H new ATOM 0 HB2 ASP A 52 -8.024 -6.029 -1.141 1.00 0.46 H new ATOM 0 HB3 ASP A 52 -7.920 -4.402 -0.500 1.00 0.46 H new ATOM 302 N LYS A 53 -10.053 -2.576 -0.661 1.00 0.46 N ATOM 303 CA LYS A 53 -10.063 -1.107 -0.539 1.00 0.44 C ATOM 304 C LYS A 53 -8.728 -0.520 -0.110 1.00 0.34 C ATOM 305 O LYS A 53 -8.487 0.666 -0.323 1.00 0.39 O ATOM 306 CB LYS A 53 -11.206 -0.645 0.364 1.00 0.53 C ATOM 307 CG LYS A 53 -10.994 -0.764 1.878 1.00 1.22 C ATOM 308 CD LYS A 53 -10.870 -2.134 2.533 1.00 0.74 C ATOM 309 CE LYS A 53 -12.165 -2.915 2.345 1.00 0.98 C ATOM 310 NZ LYS A 53 -12.041 -4.296 2.860 1.00 1.22 N ATOM 0 H LYS A 53 -10.297 -3.065 0.200 1.00 0.46 H new ATOM 0 HA LYS A 53 -10.237 -0.716 -1.542 1.00 0.44 H new ATOM 0 HB2 LYS A 53 -11.418 0.399 0.133 1.00 0.53 H new ATOM 0 HB3 LYS A 53 -12.096 -1.216 0.101 1.00 0.53 H new ATOM 0 HG2 LYS A 53 -10.089 -0.207 2.122 1.00 1.22 H new ATOM 0 HG3 LYS A 53 -11.825 -0.250 2.361 1.00 1.22 H new ATOM 0 HD2 LYS A 53 -10.037 -2.683 2.094 1.00 0.74 H new ATOM 0 HD3 LYS A 53 -10.654 -2.021 3.595 1.00 0.74 H new ATOM 0 HE2 LYS A 53 -12.978 -2.404 2.861 1.00 0.98 H new ATOM 0 HE3 LYS A 53 -12.426 -2.941 1.287 1.00 0.98 H new ATOM 0 HZ1 LYS A 53 -12.863 -4.856 2.554 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -11.171 -4.728 2.489 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -12.003 -4.277 3.899 1.00 1.22 H new ATOM 324 N VAL A 54 -7.865 -1.353 0.464 1.00 0.30 N ATOM 325 CA VAL A 54 -6.511 -0.997 0.890 1.00 0.32 C ATOM 326 C VAL A 54 -5.658 -2.124 0.372 1.00 0.37 C ATOM 327 O VAL A 54 -5.798 -3.272 0.794 1.00 0.61 O ATOM 328 CB VAL A 54 -6.331 -0.867 2.419 1.00 0.31 C ATOM 329 CG1 VAL A 54 -5.334 0.212 2.808 1.00 0.36 C ATOM 330 CG2 VAL A 54 -7.620 -0.580 3.159 1.00 0.34 C ATOM 0 H VAL A 54 -8.095 -2.329 0.653 1.00 0.30 H new ATOM 0 HA VAL A 54 -6.248 -0.012 0.505 1.00 0.32 H new ATOM 0 HB VAL A 54 -5.956 -1.847 2.713 1.00 0.31 H new ATOM 0 HG11 VAL A 54 -5.250 0.256 3.894 1.00 0.36 H new ATOM 0 HG12 VAL A 54 -4.360 -0.021 2.378 1.00 0.36 H new ATOM 0 HG13 VAL A 54 -5.676 1.176 2.431 1.00 0.36 H new ATOM 0 HG21 VAL A 54 -7.417 -0.502 4.227 1.00 0.34 H new ATOM 0 HG22 VAL A 54 -8.044 0.358 2.801 1.00 0.34 H new ATOM 0 HG23 VAL A 54 -8.329 -1.389 2.983 1.00 0.34 H new ATOM 340 N VAL A 55 -4.823 -1.818 -0.600 1.00 0.36 N ATOM 341 CA VAL A 55 -4.012 -2.857 -1.231 1.00 0.34 C ATOM 342 C VAL A 55 -2.548 -2.468 -1.161 1.00 0.31 C ATOM 343 O VAL A 55 -2.135 -1.436 -1.690 1.00 0.32 O ATOM 344 CB VAL A 55 -4.522 -3.222 -2.639 1.00 0.30 C ATOM 345 CG1 VAL A 55 -4.051 -4.639 -2.921 1.00 0.93 C ATOM 346 CG2 VAL A 55 -6.047 -3.366 -2.747 1.00 0.90 C ATOM 0 H VAL A 55 -4.684 -0.878 -0.970 1.00 0.36 H new ATOM 0 HA VAL A 55 -4.114 -3.789 -0.675 1.00 0.34 H new ATOM 0 HB VAL A 55 -4.168 -2.430 -3.299 1.00 0.30 H new ATOM 0 HG11 VAL A 55 -4.389 -4.944 -3.911 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -2.962 -4.675 -2.882 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -4.463 -5.315 -2.172 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -6.317 -3.624 -3.771 1.00 0.90 H new ATOM 0 HG22 VAL A 55 -6.387 -4.153 -2.074 1.00 0.90 H new ATOM 0 HG23 VAL A 55 -6.522 -2.424 -2.473 1.00 0.90 H new ATOM 356 N VAL A 56 -1.790 -3.292 -0.437 1.00 0.29 N ATOM 357 CA VAL A 56 -0.398 -3.055 -0.043 1.00 0.27 C ATOM 358 C VAL A 56 0.508 -4.012 -0.779 1.00 0.25 C ATOM 359 O VAL A 56 0.117 -5.130 -1.075 1.00 0.26 O ATOM 360 CB VAL A 56 -0.235 -3.188 1.480 1.00 0.27 C ATOM 361 CG1 VAL A 56 1.146 -2.857 1.999 1.00 0.28 C ATOM 362 CG2 VAL A 56 -1.084 -2.132 2.163 1.00 0.32 C ATOM 0 H VAL A 56 -2.145 -4.184 -0.093 1.00 0.29 H new ATOM 0 HA VAL A 56 -0.117 -2.037 -0.313 1.00 0.27 H new ATOM 0 HB VAL A 56 -0.492 -4.227 1.685 1.00 0.27 H new ATOM 0 HG11 VAL A 56 1.166 -2.979 3.082 1.00 0.28 H new ATOM 0 HG12 VAL A 56 1.876 -3.527 1.545 1.00 0.28 H new ATOM 0 HG13 VAL A 56 1.393 -1.826 1.745 1.00 0.28 H new ATOM 0 HG21 VAL A 56 -0.974 -2.220 3.244 1.00 0.32 H new ATOM 0 HG22 VAL A 56 -0.759 -1.142 1.844 1.00 0.32 H new ATOM 0 HG23 VAL A 56 -2.130 -2.275 1.892 1.00 0.32 H new ATOM 372 N PHE A 57 1.711 -3.560 -1.089 1.00 0.25 N ATOM 373 CA PHE A 57 2.539 -4.162 -2.127 1.00 0.25 C ATOM 374 C PHE A 57 4.001 -4.108 -1.719 1.00 0.26 C ATOM 375 O PHE A 57 4.580 -3.019 -1.684 1.00 0.31 O ATOM 376 CB PHE A 57 2.337 -3.283 -3.352 1.00 0.27 C ATOM 377 CG PHE A 57 1.092 -3.609 -4.144 1.00 0.25 C ATOM 378 CD1 PHE A 57 1.093 -4.641 -5.101 1.00 1.88 C ATOM 379 CD2 PHE A 57 -0.076 -2.872 -3.908 1.00 1.85 C ATOM 380 CE1 PHE A 57 -0.067 -4.896 -5.860 1.00 1.85 C ATOM 381 CE2 PHE A 57 -1.240 -3.145 -4.645 1.00 1.89 C ATOM 382 CZ PHE A 57 -1.234 -4.137 -5.642 1.00 0.27 C ATOM 0 H PHE A 57 2.146 -2.761 -0.627 1.00 0.25 H new ATOM 0 HA PHE A 57 2.273 -5.204 -2.305 1.00 0.25 H new ATOM 0 HB2 PHE A 57 2.291 -2.241 -3.035 1.00 0.27 H new ATOM 0 HB3 PHE A 57 3.205 -3.380 -4.003 1.00 0.27 H new ATOM 0 HD1 PHE A 57 1.981 -5.236 -5.254 1.00 1.88 H new ATOM 0 HD2 PHE A 57 -0.081 -2.094 -3.159 1.00 1.85 H new ATOM 0 HE1 PHE A 57 -0.061 -5.674 -6.609 1.00 1.85 H new ATOM 0 HE2 PHE A 57 -2.145 -2.590 -4.445 1.00 1.89 H new ATOM 0 HZ PHE A 57 -2.118 -4.316 -6.236 1.00 0.27 H new ATOM 392 N LEU A 58 4.584 -5.248 -1.342 1.00 0.25 N ATOM 393 CA LEU A 58 5.930 -5.269 -0.802 1.00 0.25 C ATOM 394 C LEU A 58 6.634 -6.619 -1.030 1.00 0.29 C ATOM 395 O LEU A 58 5.979 -7.651 -1.233 1.00 0.33 O ATOM 396 CB LEU A 58 5.875 -4.771 0.657 1.00 0.27 C ATOM 397 CG LEU A 58 4.555 -4.871 1.482 1.00 0.26 C ATOM 398 CD1 LEU A 58 4.161 -6.239 2.035 1.00 0.30 C ATOM 399 CD2 LEU A 58 4.663 -3.904 2.652 1.00 0.36 C ATOM 0 H LEU A 58 4.139 -6.164 -1.404 1.00 0.25 H new ATOM 0 HA LEU A 58 6.577 -4.580 -1.345 1.00 0.25 H new ATOM 0 HB2 LEU A 58 6.641 -5.314 1.210 1.00 0.27 H new ATOM 0 HB3 LEU A 58 6.170 -3.722 0.649 1.00 0.27 H new ATOM 0 HG LEU A 58 3.769 -4.637 0.764 1.00 0.26 H new ATOM 0 HD11 LEU A 58 3.224 -6.153 2.585 1.00 0.30 H new ATOM 0 HD12 LEU A 58 4.035 -6.942 1.211 1.00 0.30 H new ATOM 0 HD13 LEU A 58 4.942 -6.600 2.704 1.00 0.30 H new ATOM 0 HD21 LEU A 58 3.752 -3.952 3.249 1.00 0.36 H new ATOM 0 HD22 LEU A 58 5.517 -4.176 3.272 1.00 0.36 H new ATOM 0 HD23 LEU A 58 4.797 -2.890 2.275 1.00 0.36 H new ATOM 411 N LYS A 59 7.977 -6.649 -1.018 1.00 0.36 N ATOM 412 CA LYS A 59 8.739 -7.908 -1.173 1.00 0.45 C ATOM 413 C LYS A 59 8.795 -8.661 0.160 1.00 0.47 C ATOM 414 O LYS A 59 9.861 -9.031 0.616 1.00 0.56 O ATOM 415 CB LYS A 59 10.142 -7.629 -1.772 1.00 0.59 C ATOM 416 CG LYS A 59 10.991 -6.602 -0.993 1.00 0.72 C ATOM 417 CD LYS A 59 12.508 -6.899 -0.888 1.00 1.10 C ATOM 418 CE LYS A 59 13.056 -7.125 -2.309 1.00 1.37 C ATOM 419 NZ LYS A 59 14.531 -7.271 -2.381 1.00 1.80 N ATOM 0 H LYS A 59 8.560 -5.820 -0.903 1.00 0.36 H new ATOM 0 HA LYS A 59 8.226 -8.557 -1.882 1.00 0.45 H new ATOM 0 HB2 LYS A 59 10.692 -8.569 -1.823 1.00 0.59 H new ATOM 0 HB3 LYS A 59 10.020 -7.275 -2.796 1.00 0.59 H new ATOM 0 HG2 LYS A 59 10.866 -5.627 -1.465 1.00 0.72 H new ATOM 0 HG3 LYS A 59 10.588 -6.522 0.017 1.00 0.72 H new ATOM 0 HD2 LYS A 59 13.025 -6.068 -0.409 1.00 1.10 H new ATOM 0 HD3 LYS A 59 12.681 -7.780 -0.270 1.00 1.10 H new ATOM 0 HE2 LYS A 59 12.594 -8.020 -2.725 1.00 1.37 H new ATOM 0 HE3 LYS A 59 12.755 -6.288 -2.939 1.00 1.37 H new ATOM 0 HZ1 LYS A 59 14.817 -7.419 -3.370 1.00 1.80 H new ATOM 0 HZ2 LYS A 59 14.983 -6.409 -2.015 1.00 1.80 H new ATOM 0 HZ3 LYS A 59 14.827 -8.087 -1.809 1.00 1.80 H new ATOM 433 N GLY A 60 7.641 -9.018 0.718 1.00 0.46 N ATOM 434 CA GLY A 60 7.522 -9.447 2.117 1.00 0.49 C ATOM 435 C GLY A 60 6.075 -9.631 2.562 1.00 0.52 C ATOM 436 O GLY A 60 5.154 -9.539 1.750 1.00 0.74 O ATOM 0 H GLY A 60 6.755 -9.019 0.213 1.00 0.46 H new ATOM 0 HA2 GLY A 60 8.060 -10.386 2.251 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.003 -8.710 2.760 1.00 0.49 H new ATOM 440 N THR A 61 5.863 -9.893 3.846 1.00 0.52 N ATOM 441 CA THR A 61 4.510 -10.049 4.440 1.00 0.51 C ATOM 442 C THR A 61 4.330 -9.121 5.644 1.00 0.59 C ATOM 443 O THR A 61 5.320 -8.651 6.205 1.00 0.68 O ATOM 444 CB THR A 61 4.245 -11.508 4.858 1.00 0.64 C ATOM 445 OG1 THR A 61 5.130 -11.889 5.880 1.00 0.84 O ATOM 446 CG2 THR A 61 4.316 -12.506 3.702 1.00 0.65 C ATOM 0 H THR A 61 6.619 -10.007 4.521 1.00 0.52 H new ATOM 0 HA THR A 61 3.786 -9.774 3.673 1.00 0.51 H new ATOM 0 HB THR A 61 3.218 -11.536 5.221 1.00 0.64 H new ATOM 0 HG1 THR A 61 4.951 -12.817 6.139 1.00 0.84 H new ATOM 0 HG21 THR A 61 4.118 -13.511 4.076 1.00 0.65 H new ATOM 0 HG22 THR A 61 3.571 -12.246 2.950 1.00 0.65 H new ATOM 0 HG23 THR A 61 5.309 -12.474 3.254 1.00 0.65 H new ATOM 454 N PRO A 62 3.089 -8.832 6.080 1.00 0.60 N ATOM 455 CA PRO A 62 2.864 -7.979 7.247 1.00 0.72 C ATOM 456 C PRO A 62 3.232 -8.704 8.558 1.00 1.07 C ATOM 457 O PRO A 62 3.644 -8.069 9.530 1.00 1.23 O ATOM 458 CB PRO A 62 1.377 -7.615 7.189 1.00 0.64 C ATOM 459 CG PRO A 62 0.750 -8.823 6.488 1.00 0.70 C ATOM 460 CD PRO A 62 1.823 -9.236 5.490 1.00 0.57 C ATOM 0 HA PRO A 62 3.494 -7.090 7.231 1.00 0.72 H new ATOM 0 HB2 PRO A 62 0.960 -7.466 8.185 1.00 0.64 H new ATOM 0 HB3 PRO A 62 1.209 -6.694 6.631 1.00 0.64 H new ATOM 0 HG2 PRO A 62 0.523 -9.624 7.191 1.00 0.70 H new ATOM 0 HG3 PRO A 62 -0.184 -8.561 5.991 1.00 0.70 H new ATOM 0 HD2 PRO A 62 1.799 -10.311 5.313 1.00 0.57 H new ATOM 0 HD3 PRO A 62 1.668 -8.751 4.526 1.00 0.57 H new ATOM 468 N GLU A 63 3.122 -10.041 8.577 1.00 1.29 N ATOM 469 CA GLU A 63 3.509 -10.886 9.712 1.00 1.62 C ATOM 470 C GLU A 63 5.030 -11.090 9.821 1.00 1.61 C ATOM 471 O GLU A 63 5.528 -11.296 10.931 1.00 1.76 O ATOM 472 CB GLU A 63 2.742 -12.223 9.677 1.00 1.81 C ATOM 473 CG GLU A 63 3.027 -13.123 8.460 1.00 2.09 C ATOM 474 CD GLU A 63 2.301 -14.476 8.562 1.00 3.05 C ATOM 475 OE1 GLU A 63 1.096 -14.492 8.918 1.00 3.91 O ATOM 476 OE2 GLU A 63 2.934 -15.535 8.312 1.00 4.03 O ATOM 0 H GLU A 63 2.754 -10.573 7.788 1.00 1.29 H new ATOM 0 HA GLU A 63 3.224 -10.355 10.621 1.00 1.62 H new ATOM 0 HB2 GLU A 63 2.980 -12.781 10.583 1.00 1.81 H new ATOM 0 HB3 GLU A 63 1.674 -12.009 9.706 1.00 1.81 H new ATOM 0 HG2 GLU A 63 2.715 -12.612 7.550 1.00 2.09 H new ATOM 0 HG3 GLU A 63 4.101 -13.293 8.378 1.00 2.09 H new ATOM 483 N GLN A 64 5.769 -11.002 8.707 1.00 1.49 N ATOM 484 CA GLN A 64 7.223 -11.017 8.626 1.00 1.43 C ATOM 485 C GLN A 64 7.730 -9.956 7.609 1.00 1.61 C ATOM 486 O GLN A 64 8.082 -10.306 6.474 1.00 1.65 O ATOM 487 CB GLN A 64 7.687 -12.422 8.251 1.00 1.42 C ATOM 488 CG GLN A 64 7.379 -13.530 9.268 1.00 1.49 C ATOM 489 CD GLN A 64 7.988 -14.868 8.853 1.00 1.71 C ATOM 490 OE1 GLN A 64 8.986 -15.323 9.402 1.00 2.38 O ATOM 491 NE2 GLN A 64 7.418 -15.575 7.900 1.00 2.18 N ATOM 0 H GLN A 64 5.336 -10.913 7.788 1.00 1.49 H new ATOM 0 HA GLN A 64 7.646 -10.755 9.596 1.00 1.43 H new ATOM 0 HB2 GLN A 64 7.228 -12.692 7.300 1.00 1.42 H new ATOM 0 HB3 GLN A 64 8.765 -12.395 8.089 1.00 1.42 H new ATOM 0 HG2 GLN A 64 7.765 -13.243 10.246 1.00 1.49 H new ATOM 0 HG3 GLN A 64 6.299 -13.639 9.371 1.00 1.49 H new ATOM 0 HE21 GLN A 64 6.587 -15.218 7.428 1.00 2.18 H new ATOM 0 HE22 GLN A 64 7.807 -16.479 7.634 1.00 2.18 H new ATOM 500 N PRO A 65 7.792 -8.659 7.980 1.00 2.19 N ATOM 501 CA PRO A 65 8.314 -7.587 7.120 1.00 2.37 C ATOM 502 C PRO A 65 9.764 -7.893 6.726 1.00 1.85 C ATOM 503 O PRO A 65 10.593 -8.246 7.570 1.00 2.29 O ATOM 504 CB PRO A 65 8.171 -6.294 7.930 1.00 3.15 C ATOM 505 CG PRO A 65 8.117 -6.765 9.382 1.00 3.44 C ATOM 506 CD PRO A 65 7.455 -8.139 9.294 1.00 2.91 C ATOM 0 HA PRO A 65 7.769 -7.494 6.181 1.00 2.37 H new ATOM 0 HB2 PRO A 65 9.013 -5.623 7.760 1.00 3.15 H new ATOM 0 HB3 PRO A 65 7.268 -5.749 7.654 1.00 3.15 H new ATOM 0 HG2 PRO A 65 9.113 -6.828 9.820 1.00 3.44 H new ATOM 0 HG3 PRO A 65 7.539 -6.081 10.003 1.00 3.44 H new ATOM 0 HD2 PRO A 65 7.819 -8.799 10.081 1.00 2.91 H new ATOM 0 HD3 PRO A 65 6.375 -8.061 9.418 1.00 2.91 H new ATOM 514 N GLN A 66 10.073 -7.827 5.432 1.00 1.19 N ATOM 515 CA GLN A 66 11.202 -8.575 4.866 1.00 0.88 C ATOM 516 C GLN A 66 12.592 -7.991 5.180 1.00 1.23 C ATOM 517 O GLN A 66 13.598 -8.694 5.157 1.00 1.44 O ATOM 518 CB GLN A 66 10.997 -8.680 3.359 1.00 0.68 C ATOM 519 CG GLN A 66 11.374 -7.425 2.551 1.00 1.57 C ATOM 520 CD GLN A 66 10.294 -6.359 2.490 1.00 0.89 C ATOM 521 OE1 GLN A 66 9.119 -6.629 2.675 1.00 1.70 O ATOM 522 NE2 GLN A 66 10.632 -5.125 2.180 1.00 1.01 N ATOM 0 H GLN A 66 9.560 -7.264 4.753 1.00 1.19 H new ATOM 0 HA GLN A 66 11.203 -9.555 5.343 1.00 0.88 H new ATOM 0 HB2 GLN A 66 11.584 -9.520 2.988 1.00 0.68 H new ATOM 0 HB3 GLN A 66 9.950 -8.913 3.168 1.00 0.68 H new ATOM 0 HG2 GLN A 66 12.273 -6.987 2.985 1.00 1.57 H new ATOM 0 HG3 GLN A 66 11.625 -7.727 1.534 1.00 1.57 H new ATOM 0 HE21 GLN A 66 11.612 -4.889 2.023 1.00 1.01 H new ATOM 0 HE22 GLN A 66 9.914 -4.405 2.097 1.00 1.01 H new ATOM 531 N CYS A 67 12.648 -6.671 5.360 1.00 1.32 N ATOM 532 CA CYS A 67 13.867 -5.860 5.355 1.00 1.53 C ATOM 533 C CYS A 67 13.542 -4.541 6.106 1.00 1.62 C ATOM 534 O CYS A 67 12.819 -4.570 7.113 1.00 2.43 O ATOM 535 CB CYS A 67 14.336 -5.710 3.875 1.00 1.55 C ATOM 536 SG CYS A 67 15.990 -4.959 3.806 1.00 1.98 S ATOM 0 H CYS A 67 11.809 -6.113 5.520 1.00 1.32 H new ATOM 0 HA CYS A 67 14.711 -6.306 5.881 1.00 1.53 H new ATOM 0 HB2 CYS A 67 14.353 -6.687 3.392 1.00 1.55 H new ATOM 0 HB3 CYS A 67 13.627 -5.093 3.323 1.00 1.55 H new ATOM 0 HG CYS A 67 16.327 -4.541 4.990 1.00 1.98 H new ATOM 542 N GLY A 68 14.000 -3.385 5.615 1.00 1.24 N ATOM 543 CA GLY A 68 13.367 -2.087 5.882 1.00 1.22 C ATOM 544 C GLY A 68 12.067 -1.911 5.088 1.00 1.12 C ATOM 545 O GLY A 68 11.513 -2.887 4.569 1.00 1.97 O ATOM 0 H GLY A 68 14.825 -3.322 5.018 1.00 1.24 H new ATOM 0 HA2 GLY A 68 13.156 -1.998 6.948 1.00 1.22 H new ATOM 0 HA3 GLY A 68 14.060 -1.286 5.626 1.00 1.22 H new ATOM 549 N PHE A 69 11.617 -0.656 4.966 1.00 0.90 N ATOM 550 CA PHE A 69 10.465 -0.153 4.195 1.00 0.85 C ATOM 551 C PHE A 69 9.102 -0.784 4.524 1.00 0.66 C ATOM 552 O PHE A 69 8.186 -0.100 4.972 1.00 0.62 O ATOM 553 CB PHE A 69 10.742 -0.201 2.683 1.00 1.53 C ATOM 554 CG PHE A 69 11.719 0.828 2.153 1.00 0.96 C ATOM 555 CD1 PHE A 69 13.053 0.916 2.591 1.00 1.87 C ATOM 556 CD2 PHE A 69 11.256 1.724 1.186 1.00 1.80 C ATOM 557 CE1 PHE A 69 13.891 1.928 2.088 1.00 2.23 C ATOM 558 CE2 PHE A 69 12.067 2.753 0.701 1.00 1.77 C ATOM 559 CZ PHE A 69 13.397 2.857 1.149 1.00 1.51 C ATOM 0 H PHE A 69 12.092 0.107 5.448 1.00 0.90 H new ATOM 0 HA PHE A 69 10.366 0.882 4.521 1.00 0.85 H new ATOM 0 HB2 PHE A 69 11.119 -1.193 2.434 1.00 1.53 H new ATOM 0 HB3 PHE A 69 9.795 -0.079 2.156 1.00 1.53 H new ATOM 0 HD1 PHE A 69 13.433 0.208 3.312 1.00 1.87 H new ATOM 0 HD2 PHE A 69 10.251 1.619 0.806 1.00 1.80 H new ATOM 0 HE1 PHE A 69 14.916 1.994 2.422 1.00 2.23 H new ATOM 0 HE2 PHE A 69 11.676 3.463 -0.012 1.00 1.77 H new ATOM 0 HZ PHE A 69 14.036 3.644 0.776 1.00 1.51 H new ATOM 569 N SER A 70 8.973 -2.090 4.307 1.00 0.86 N ATOM 570 CA SER A 70 7.817 -2.941 4.608 1.00 0.68 C ATOM 571 C SER A 70 7.199 -2.734 5.985 1.00 0.61 C ATOM 572 O SER A 70 5.984 -2.807 6.130 1.00 0.61 O ATOM 573 CB SER A 70 8.250 -4.404 4.522 1.00 0.75 C ATOM 574 OG SER A 70 9.441 -4.668 5.258 1.00 2.00 O ATOM 0 H SER A 70 9.731 -2.626 3.883 1.00 0.86 H new ATOM 0 HA SER A 70 7.058 -2.666 3.876 1.00 0.68 H new ATOM 0 HB2 SER A 70 7.447 -5.039 4.897 1.00 0.75 H new ATOM 0 HB3 SER A 70 8.406 -4.672 3.477 1.00 0.75 H new ATOM 0 HG SER A 70 10.176 -4.132 4.894 1.00 2.00 H new ATOM 580 N ASN A 71 8.005 -2.441 7.000 1.00 0.69 N ATOM 581 CA ASN A 71 7.512 -2.094 8.314 1.00 0.73 C ATOM 582 C ASN A 71 7.010 -0.653 8.390 1.00 0.68 C ATOM 583 O ASN A 71 5.942 -0.448 8.938 1.00 0.64 O ATOM 584 CB ASN A 71 8.635 -2.388 9.306 1.00 0.93 C ATOM 585 CG ASN A 71 9.753 -1.378 9.193 1.00 3.04 C ATOM 586 OD1 ASN A 71 10.379 -1.219 8.155 1.00 4.67 O ATOM 587 ND2 ASN A 71 9.895 -0.551 10.194 1.00 3.51 N ATOM 0 H ASN A 71 9.022 -2.440 6.927 1.00 0.69 H new ATOM 0 HA ASN A 71 6.635 -2.693 8.560 1.00 0.73 H new ATOM 0 HB2 ASN A 71 8.237 -2.379 10.321 1.00 0.93 H new ATOM 0 HB3 ASN A 71 9.028 -3.389 9.126 1.00 0.93 H new ATOM 0 HD21 ASN A 71 10.535 0.240 10.116 1.00 3.51 H new ATOM 0 HD22 ASN A 71 9.366 -0.696 11.054 1.00 3.51 H new ATOM 594 N ALA A 72 7.702 0.330 7.815 1.00 0.70 N ATOM 595 CA ALA A 72 7.293 1.741 7.842 1.00 0.66 C ATOM 596 C ALA A 72 5.869 1.938 7.312 1.00 0.54 C ATOM 597 O ALA A 72 5.054 2.611 7.946 1.00 0.47 O ATOM 598 CB ALA A 72 8.325 2.580 7.074 1.00 0.73 C ATOM 0 H ALA A 72 8.574 0.171 7.310 1.00 0.70 H new ATOM 0 HA ALA A 72 7.268 2.083 8.877 1.00 0.66 H new ATOM 0 HB1 ALA A 72 8.027 3.628 7.091 1.00 0.73 H new ATOM 0 HB2 ALA A 72 9.303 2.473 7.544 1.00 0.73 H new ATOM 0 HB3 ALA A 72 8.379 2.235 6.042 1.00 0.73 H new ATOM 604 N VAL A 73 5.519 1.264 6.216 1.00 0.54 N ATOM 605 CA VAL A 73 4.182 1.290 5.660 1.00 0.49 C ATOM 606 C VAL A 73 3.145 0.595 6.545 1.00 0.46 C ATOM 607 O VAL A 73 2.041 1.109 6.723 1.00 0.41 O ATOM 608 CB VAL A 73 4.226 0.708 4.242 1.00 0.55 C ATOM 609 CG1 VAL A 73 5.016 1.621 3.301 1.00 0.61 C ATOM 610 CG2 VAL A 73 4.850 -0.669 4.138 1.00 0.60 C ATOM 0 H VAL A 73 6.169 0.681 5.690 1.00 0.54 H new ATOM 0 HA VAL A 73 3.848 2.327 5.614 1.00 0.49 H new ATOM 0 HB VAL A 73 3.176 0.629 3.960 1.00 0.55 H new ATOM 0 HG11 VAL A 73 5.033 1.186 2.302 1.00 0.61 H new ATOM 0 HG12 VAL A 73 4.542 2.602 3.262 1.00 0.61 H new ATOM 0 HG13 VAL A 73 6.037 1.726 3.668 1.00 0.61 H new ATOM 0 HG21 VAL A 73 4.836 -0.997 3.099 1.00 0.60 H new ATOM 0 HG22 VAL A 73 5.880 -0.629 4.493 1.00 0.60 H new ATOM 0 HG23 VAL A 73 4.283 -1.372 4.748 1.00 0.60 H new ATOM 620 N VAL A 74 3.506 -0.536 7.157 1.00 0.50 N ATOM 621 CA VAL A 74 2.606 -1.323 8.013 1.00 0.52 C ATOM 622 C VAL A 74 2.416 -0.683 9.390 1.00 0.49 C ATOM 623 O VAL A 74 1.303 -0.681 9.910 1.00 0.49 O ATOM 624 CB VAL A 74 3.067 -2.787 8.086 1.00 0.57 C ATOM 625 CG1 VAL A 74 2.215 -3.618 9.045 1.00 0.59 C ATOM 626 CG2 VAL A 74 2.956 -3.428 6.696 1.00 0.67 C ATOM 0 H VAL A 74 4.440 -0.937 7.073 1.00 0.50 H new ATOM 0 HA VAL A 74 1.617 -1.324 7.555 1.00 0.52 H new ATOM 0 HB VAL A 74 4.096 -2.777 8.446 1.00 0.57 H new ATOM 0 HG11 VAL A 74 2.581 -4.645 9.061 1.00 0.59 H new ATOM 0 HG12 VAL A 74 2.278 -3.195 10.048 1.00 0.59 H new ATOM 0 HG13 VAL A 74 1.177 -3.608 8.712 1.00 0.59 H new ATOM 0 HG21 VAL A 74 3.283 -4.467 6.747 1.00 0.67 H new ATOM 0 HG22 VAL A 74 1.920 -3.390 6.359 1.00 0.67 H new ATOM 0 HG23 VAL A 74 3.586 -2.883 5.993 1.00 0.67 H new ATOM 636 N GLN A 75 3.458 -0.062 9.951 1.00 0.48 N ATOM 637 CA GLN A 75 3.362 0.775 11.140 1.00 0.46 C ATOM 638 C GLN A 75 2.403 1.937 10.879 1.00 0.39 C ATOM 639 O GLN A 75 1.464 2.115 11.648 1.00 0.39 O ATOM 640 CB GLN A 75 4.734 1.298 11.614 1.00 0.51 C ATOM 641 CG GLN A 75 5.796 0.270 12.064 1.00 0.78 C ATOM 642 CD GLN A 75 5.258 -1.041 12.626 1.00 1.58 C ATOM 643 OE1 GLN A 75 5.464 -2.130 12.101 1.00 3.61 O ATOM 644 NE2 GLN A 75 4.534 -1.012 13.717 1.00 0.87 N ATOM 0 H GLN A 75 4.406 -0.131 9.581 1.00 0.48 H new ATOM 0 HA GLN A 75 2.973 0.153 11.946 1.00 0.46 H new ATOM 0 HB2 GLN A 75 5.164 1.886 10.803 1.00 0.51 H new ATOM 0 HB3 GLN A 75 4.560 1.981 12.445 1.00 0.51 H new ATOM 0 HG2 GLN A 75 6.437 0.042 11.212 1.00 0.78 H new ATOM 0 HG3 GLN A 75 6.427 0.736 12.821 1.00 0.78 H new ATOM 0 HE21 GLN A 75 4.343 -0.123 14.179 1.00 0.87 H new ATOM 0 HE22 GLN A 75 4.161 -1.879 14.105 1.00 0.87 H new ATOM 653 N ILE A 76 2.551 2.681 9.774 1.00 0.35 N ATOM 654 CA ILE A 76 1.654 3.817 9.488 1.00 0.30 C ATOM 655 C ILE A 76 0.196 3.353 9.373 1.00 0.30 C ATOM 656 O ILE A 76 -0.692 3.982 9.950 1.00 0.30 O ATOM 657 CB ILE A 76 2.149 4.586 8.242 1.00 0.29 C ATOM 658 CG1 ILE A 76 3.403 5.389 8.643 1.00 0.32 C ATOM 659 CG2 ILE A 76 1.086 5.538 7.657 1.00 0.29 C ATOM 660 CD1 ILE A 76 4.171 5.944 7.443 1.00 0.34 C ATOM 0 H ILE A 76 3.272 2.523 9.070 1.00 0.35 H new ATOM 0 HA ILE A 76 1.681 4.516 10.324 1.00 0.30 H new ATOM 0 HB ILE A 76 2.372 3.858 7.462 1.00 0.29 H new ATOM 0 HG12 ILE A 76 3.107 6.215 9.290 1.00 0.32 H new ATOM 0 HG13 ILE A 76 4.065 4.749 9.226 1.00 0.32 H new ATOM 0 HG21 ILE A 76 1.495 6.048 6.785 1.00 0.29 H new ATOM 0 HG22 ILE A 76 0.207 4.965 7.363 1.00 0.29 H new ATOM 0 HG23 ILE A 76 0.804 6.275 8.409 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.042 6.498 7.793 1.00 0.34 H new ATOM 0 HD12 ILE A 76 4.497 5.121 6.807 1.00 0.34 H new ATOM 0 HD13 ILE A 76 3.523 6.609 6.872 1.00 0.34 H new ATOM 672 N LEU A 77 -0.048 2.222 8.707 1.00 0.31 N ATOM 673 CA LEU A 77 -1.377 1.609 8.624 1.00 0.34 C ATOM 674 C LEU A 77 -1.939 1.234 10.008 1.00 0.40 C ATOM 675 O LEU A 77 -2.971 1.780 10.405 1.00 0.42 O ATOM 676 CB LEU A 77 -1.322 0.426 7.640 1.00 0.37 C ATOM 677 CG LEU A 77 -1.258 0.902 6.175 1.00 0.32 C ATOM 678 CD1 LEU A 77 -0.793 -0.224 5.254 1.00 0.42 C ATOM 679 CD2 LEU A 77 -2.630 1.377 5.688 1.00 0.34 C ATOM 0 H LEU A 77 0.674 1.703 8.207 1.00 0.31 H new ATOM 0 HA LEU A 77 -2.087 2.339 8.235 1.00 0.34 H new ATOM 0 HB2 LEU A 77 -0.450 -0.190 7.860 1.00 0.37 H new ATOM 0 HB3 LEU A 77 -2.201 -0.204 7.779 1.00 0.37 H new ATOM 0 HG LEU A 77 -0.548 1.728 6.142 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -0.757 0.138 4.227 1.00 0.42 H new ATOM 0 HD12 LEU A 77 0.200 -0.556 5.557 1.00 0.42 H new ATOM 0 HD13 LEU A 77 -1.490 -1.059 5.320 1.00 0.42 H new ATOM 0 HD21 LEU A 77 -2.554 1.707 4.652 1.00 0.34 H new ATOM 0 HD22 LEU A 77 -3.344 0.557 5.756 1.00 0.34 H new ATOM 0 HD23 LEU A 77 -2.969 2.206 6.309 1.00 0.34 H new ATOM 691 N ARG A 78 -1.260 0.383 10.788 1.00 0.44 N ATOM 692 CA ARG A 78 -1.699 -0.021 12.126 1.00 0.52 C ATOM 693 C ARG A 78 -1.847 1.125 13.143 1.00 0.52 C ATOM 694 O ARG A 78 -2.737 1.057 13.995 1.00 0.60 O ATOM 695 CB ARG A 78 -0.790 -1.164 12.601 1.00 0.61 C ATOM 696 CG ARG A 78 0.427 -0.746 13.438 1.00 0.64 C ATOM 697 CD ARG A 78 1.210 -1.952 13.976 1.00 0.79 C ATOM 698 NE ARG A 78 2.161 -2.519 12.999 1.00 2.40 N ATOM 699 CZ ARG A 78 2.303 -3.784 12.651 1.00 3.40 C ATOM 700 NH1 ARG A 78 1.373 -4.671 12.811 1.00 3.62 N ATOM 701 NH2 ARG A 78 3.424 -4.179 12.118 1.00 5.13 N ATOM 0 H ARG A 78 -0.381 -0.048 10.503 1.00 0.44 H new ATOM 0 HA ARG A 78 -2.726 -0.377 12.053 1.00 0.52 H new ATOM 0 HB2 ARG A 78 -1.390 -1.860 13.188 1.00 0.61 H new ATOM 0 HB3 ARG A 78 -0.436 -1.709 11.726 1.00 0.61 H new ATOM 0 HG2 ARG A 78 1.088 -0.129 12.830 1.00 0.64 H new ATOM 0 HG3 ARG A 78 0.095 -0.130 14.274 1.00 0.64 H new ATOM 0 HD2 ARG A 78 1.756 -1.651 14.870 1.00 0.79 H new ATOM 0 HD3 ARG A 78 0.506 -2.727 14.278 1.00 0.79 H new ATOM 0 HE ARG A 78 2.782 -1.854 12.538 1.00 2.40 H new ATOM 0 HH11 ARG A 78 0.479 -4.404 13.223 1.00 3.62 H new ATOM 0 HH12 ARG A 78 1.534 -5.637 12.525 1.00 3.62 H new ATOM 0 HH21 ARG A 78 4.182 -3.513 11.973 1.00 5.13 H new ATOM 0 HH22 ARG A 78 3.543 -5.155 11.846 1.00 5.13 H new ATOM 715 N LEU A 79 -1.045 2.193 13.046 1.00 0.45 N ATOM 716 CA LEU A 79 -1.161 3.416 13.851 1.00 0.46 C ATOM 717 C LEU A 79 -2.411 4.226 13.488 1.00 0.45 C ATOM 718 O LEU A 79 -3.053 4.797 14.367 1.00 0.51 O ATOM 719 CB LEU A 79 0.080 4.282 13.603 1.00 0.45 C ATOM 720 CG LEU A 79 1.391 3.769 14.221 1.00 0.48 C ATOM 721 CD1 LEU A 79 2.533 4.599 13.628 1.00 0.47 C ATOM 722 CD2 LEU A 79 1.423 3.902 15.742 1.00 0.59 C ATOM 0 H LEU A 79 -0.271 2.231 12.382 1.00 0.45 H new ATOM 0 HA LEU A 79 -1.242 3.128 14.899 1.00 0.46 H new ATOM 0 HB2 LEU A 79 0.222 4.380 12.527 1.00 0.45 H new ATOM 0 HB3 LEU A 79 -0.115 5.282 13.991 1.00 0.45 H new ATOM 0 HG LEU A 79 1.486 2.707 13.993 1.00 0.48 H new ATOM 0 HD11 LEU A 79 3.482 4.262 14.045 1.00 0.47 H new ATOM 0 HD12 LEU A 79 2.548 4.476 12.545 1.00 0.47 H new ATOM 0 HD13 LEU A 79 2.383 5.651 13.871 1.00 0.47 H new ATOM 0 HD21 LEU A 79 2.373 3.524 16.120 1.00 0.59 H new ATOM 0 HD22 LEU A 79 1.314 4.951 16.018 1.00 0.59 H new ATOM 0 HD23 LEU A 79 0.605 3.326 16.175 1.00 0.59 H new ATOM 734 N HIS A 80 -2.796 4.225 12.210 1.00 0.41 N ATOM 735 CA HIS A 80 -4.089 4.724 11.740 1.00 0.40 C ATOM 736 C HIS A 80 -5.260 3.760 12.029 1.00 0.45 C ATOM 737 O HIS A 80 -6.395 4.051 11.649 1.00 0.48 O ATOM 738 CB HIS A 80 -3.975 5.074 10.248 1.00 0.35 C ATOM 739 CG HIS A 80 -3.464 6.471 10.012 1.00 0.28 C ATOM 740 ND1 HIS A 80 -4.212 7.606 10.179 1.00 0.30 N ATOM 741 CD2 HIS A 80 -2.219 6.875 9.607 1.00 0.27 C ATOM 742 CE1 HIS A 80 -3.469 8.669 9.864 1.00 0.30 C ATOM 743 NE2 HIS A 80 -2.235 8.277 9.490 1.00 0.25 N ATOM 0 H HIS A 80 -2.205 3.870 11.458 1.00 0.41 H new ATOM 0 HA HIS A 80 -4.332 5.624 12.305 1.00 0.40 H new ATOM 0 HB2 HIS A 80 -3.308 4.362 9.763 1.00 0.35 H new ATOM 0 HB3 HIS A 80 -4.953 4.966 9.779 1.00 0.35 H new ATOM 0 HD2 HIS A 80 -1.374 6.231 9.412 1.00 0.27 H new ATOM 0 HE1 HIS A 80 -3.807 9.694 9.903 1.00 0.30 H new ATOM 0 HE2 HIS A 80 -1.468 8.876 9.184 1.00 0.25 H new ATOM 751 N GLY A 81 -5.028 2.638 12.718 1.00 0.50 N ATOM 752 CA GLY A 81 -6.059 1.655 13.063 1.00 0.58 C ATOM 753 C GLY A 81 -6.313 0.588 11.991 1.00 0.60 C ATOM 754 O GLY A 81 -7.298 -0.143 12.100 1.00 0.69 O ATOM 0 H GLY A 81 -4.101 2.383 13.058 1.00 0.50 H new ATOM 0 HA2 GLY A 81 -5.772 1.158 13.990 1.00 0.58 H new ATOM 0 HA3 GLY A 81 -6.993 2.182 13.260 1.00 0.58 H new ATOM 758 N VAL A 82 -5.474 0.505 10.950 1.00 0.56 N ATOM 759 CA VAL A 82 -5.720 -0.309 9.748 1.00 0.55 C ATOM 760 C VAL A 82 -4.957 -1.637 9.765 1.00 0.52 C ATOM 761 O VAL A 82 -3.730 -1.681 9.881 1.00 0.67 O ATOM 762 CB VAL A 82 -5.418 0.469 8.448 1.00 0.62 C ATOM 763 CG1 VAL A 82 -5.935 -0.293 7.217 1.00 0.54 C ATOM 764 CG2 VAL A 82 -6.058 1.864 8.414 1.00 0.75 C ATOM 0 H VAL A 82 -4.589 1.010 10.917 1.00 0.56 H new ATOM 0 HA VAL A 82 -6.784 -0.543 9.765 1.00 0.55 H new ATOM 0 HB VAL A 82 -4.333 0.573 8.427 1.00 0.62 H new ATOM 0 HG11 VAL A 82 -5.710 0.277 6.315 1.00 0.54 H new ATOM 0 HG12 VAL A 82 -5.449 -1.267 7.162 1.00 0.54 H new ATOM 0 HG13 VAL A 82 -7.013 -0.429 7.300 1.00 0.54 H new ATOM 0 HG21 VAL A 82 -5.807 2.357 7.475 1.00 0.75 H new ATOM 0 HG22 VAL A 82 -7.141 1.770 8.496 1.00 0.75 H new ATOM 0 HG23 VAL A 82 -5.681 2.458 9.247 1.00 0.75 H new ATOM 774 N ARG A 83 -5.698 -2.724 9.539 1.00 0.39 N ATOM 775 CA ARG A 83 -5.243 -4.070 9.212 1.00 0.50 C ATOM 776 C ARG A 83 -6.008 -4.688 8.041 1.00 0.58 C ATOM 777 O ARG A 83 -5.597 -5.702 7.493 1.00 0.89 O ATOM 778 CB ARG A 83 -5.301 -4.919 10.462 1.00 0.80 C ATOM 779 CG ARG A 83 -6.705 -5.278 10.936 1.00 1.27 C ATOM 780 CD ARG A 83 -6.499 -6.009 12.256 1.00 1.93 C ATOM 781 NE ARG A 83 -7.761 -6.517 12.826 1.00 2.31 N ATOM 782 CZ ARG A 83 -8.705 -5.810 13.418 1.00 2.75 C ATOM 783 NH1 ARG A 83 -8.633 -4.525 13.592 1.00 3.47 N ATOM 784 NH2 ARG A 83 -9.764 -6.408 13.867 1.00 3.38 N ATOM 0 H ARG A 83 -6.716 -2.677 9.585 1.00 0.39 H new ATOM 0 HA ARG A 83 -4.211 -4.019 8.866 1.00 0.50 H new ATOM 0 HB2 ARG A 83 -4.748 -5.841 10.282 1.00 0.80 H new ATOM 0 HB3 ARG A 83 -4.787 -4.391 11.265 1.00 0.80 H new ATOM 0 HG2 ARG A 83 -7.317 -4.386 11.070 1.00 1.27 H new ATOM 0 HG3 ARG A 83 -7.217 -5.910 10.210 1.00 1.27 H new ATOM 0 HD2 ARG A 83 -5.813 -6.842 12.103 1.00 1.93 H new ATOM 0 HD3 ARG A 83 -6.027 -5.335 12.971 1.00 1.93 H new ATOM 0 HE ARG A 83 -7.921 -7.522 12.755 1.00 2.31 H new ATOM 0 HH11 ARG A 83 -7.816 -4.011 13.264 1.00 3.47 H new ATOM 0 HH12 ARG A 83 -9.394 -4.030 14.057 1.00 3.47 H new ATOM 0 HH21 ARG A 83 -9.863 -7.418 13.761 1.00 3.38 H new ATOM 0 HH22 ARG A 83 -10.498 -5.869 14.326 1.00 3.38 H new ATOM 798 N ASP A 84 -7.101 -4.050 7.633 1.00 0.55 N ATOM 799 CA ASP A 84 -8.000 -4.418 6.534 1.00 0.79 C ATOM 800 C ASP A 84 -7.426 -4.100 5.141 1.00 0.74 C ATOM 801 O ASP A 84 -8.169 -3.947 4.173 1.00 0.98 O ATOM 802 CB ASP A 84 -9.355 -3.744 6.809 1.00 1.12 C ATOM 803 CG ASP A 84 -10.523 -4.133 5.900 1.00 2.46 C ATOM 804 OD1 ASP A 84 -10.587 -5.266 5.368 1.00 3.39 O ATOM 805 OD2 ASP A 84 -11.480 -3.327 5.818 1.00 3.76 O ATOM 0 H ASP A 84 -7.409 -3.195 8.096 1.00 0.55 H new ATOM 0 HA ASP A 84 -8.127 -5.500 6.506 1.00 0.79 H new ATOM 0 HB2 ASP A 84 -9.639 -3.963 7.838 1.00 1.12 H new ATOM 0 HB3 ASP A 84 -9.217 -2.665 6.739 1.00 1.12 H new ATOM 810 N TYR A 85 -6.096 -4.019 5.021 1.00 0.51 N ATOM 811 CA TYR A 85 -5.443 -4.212 3.745 1.00 0.39 C ATOM 812 C TYR A 85 -5.400 -5.694 3.342 1.00 0.36 C ATOM 813 O TYR A 85 -5.419 -6.615 4.165 1.00 0.42 O ATOM 814 CB TYR A 85 -4.013 -3.618 3.724 1.00 0.38 C ATOM 815 CG TYR A 85 -3.147 -4.018 4.887 1.00 0.39 C ATOM 816 CD1 TYR A 85 -2.532 -5.273 4.828 1.00 1.63 C ATOM 817 CD2 TYR A 85 -2.997 -3.194 6.022 1.00 1.83 C ATOM 818 CE1 TYR A 85 -1.824 -5.755 5.946 1.00 1.60 C ATOM 819 CE2 TYR A 85 -2.249 -3.654 7.115 1.00 1.88 C ATOM 820 CZ TYR A 85 -1.691 -4.950 7.098 1.00 0.50 C ATOM 821 OH TYR A 85 -1.045 -5.422 8.196 1.00 0.59 O ATOM 0 H TYR A 85 -5.463 -3.821 5.796 1.00 0.51 H new ATOM 0 HA TYR A 85 -6.046 -3.673 3.014 1.00 0.39 H new ATOM 0 HB2 TYR A 85 -3.521 -3.924 2.801 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -4.087 -2.531 3.701 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -2.600 -5.869 3.930 1.00 1.63 H new ATOM 0 HD2 TYR A 85 -3.455 -2.216 6.049 1.00 1.83 H new ATOM 0 HE1 TYR A 85 -1.383 -6.740 5.922 1.00 1.60 H new ATOM 0 HE2 TYR A 85 -2.099 -3.015 7.972 1.00 1.88 H new ATOM 0 HH TYR A 85 -1.045 -4.736 8.896 1.00 0.59 H new ATOM 831 N ALA A 86 -5.205 -5.900 2.046 1.00 0.32 N ATOM 832 CA ALA A 86 -4.602 -7.097 1.483 1.00 0.30 C ATOM 833 C ALA A 86 -3.130 -6.782 1.204 1.00 0.30 C ATOM 834 O ALA A 86 -2.829 -5.878 0.421 1.00 0.34 O ATOM 835 CB ALA A 86 -5.391 -7.502 0.239 1.00 0.33 C ATOM 0 H ALA A 86 -5.471 -5.216 1.337 1.00 0.32 H new ATOM 0 HA ALA A 86 -4.636 -7.949 2.162 1.00 0.30 H new ATOM 0 HB1 ALA A 86 -4.950 -8.399 -0.195 1.00 0.33 H new ATOM 0 HB2 ALA A 86 -6.426 -7.703 0.514 1.00 0.33 H new ATOM 0 HB3 ALA A 86 -5.360 -6.693 -0.491 1.00 0.33 H new ATOM 841 N ALA A 87 -2.211 -7.461 1.898 1.00 0.27 N ATOM 842 CA ALA A 87 -0.778 -7.236 1.730 1.00 0.26 C ATOM 843 C ALA A 87 -0.213 -8.240 0.699 1.00 0.27 C ATOM 844 O ALA A 87 -0.052 -9.422 1.015 1.00 0.34 O ATOM 845 CB ALA A 87 -0.058 -7.394 3.075 1.00 0.30 C ATOM 0 H ALA A 87 -2.441 -8.177 2.587 1.00 0.27 H new ATOM 0 HA ALA A 87 -0.614 -6.222 1.366 1.00 0.26 H new ATOM 0 HB1 ALA A 87 1.010 -7.224 2.938 1.00 0.30 H new ATOM 0 HB2 ALA A 87 -0.453 -6.669 3.786 1.00 0.30 H new ATOM 0 HB3 ALA A 87 -0.219 -8.402 3.458 1.00 0.30 H new ATOM 851 N TYR A 88 0.095 -7.790 -0.514 1.00 0.26 N ATOM 852 CA TYR A 88 0.651 -8.591 -1.603 1.00 0.28 C ATOM 853 C TYR A 88 2.170 -8.741 -1.506 1.00 0.25 C ATOM 854 O TYR A 88 2.935 -7.772 -1.585 1.00 0.26 O ATOM 855 CB TYR A 88 0.218 -8.026 -2.966 1.00 0.32 C ATOM 856 CG TYR A 88 -1.228 -8.348 -3.310 1.00 0.46 C ATOM 857 CD1 TYR A 88 -2.288 -7.632 -2.719 1.00 1.80 C ATOM 858 CD2 TYR A 88 -1.511 -9.373 -4.231 1.00 1.89 C ATOM 859 CE1 TYR A 88 -3.629 -7.982 -3.001 1.00 1.86 C ATOM 860 CE2 TYR A 88 -2.841 -9.706 -4.534 1.00 1.99 C ATOM 861 CZ TYR A 88 -3.905 -9.055 -3.876 1.00 0.90 C ATOM 862 OH TYR A 88 -5.183 -9.463 -4.105 1.00 1.16 O ATOM 0 H TYR A 88 -0.042 -6.814 -0.777 1.00 0.26 H new ATOM 0 HA TYR A 88 0.243 -9.597 -1.507 1.00 0.28 H new ATOM 0 HB2 TYR A 88 0.353 -6.944 -2.964 1.00 0.32 H new ATOM 0 HB3 TYR A 88 0.869 -8.427 -3.743 1.00 0.32 H new ATOM 0 HD1 TYR A 88 -2.076 -6.813 -2.048 1.00 1.80 H new ATOM 0 HD2 TYR A 88 -0.702 -9.906 -4.707 1.00 1.89 H new ATOM 0 HE1 TYR A 88 -4.439 -7.430 -2.548 1.00 1.86 H new ATOM 0 HE2 TYR A 88 -3.050 -10.464 -5.274 1.00 1.99 H new ATOM 0 HH TYR A 88 -5.179 -10.213 -4.736 1.00 1.16 H new ATOM 872 N ASN A 89 2.575 -10.005 -1.387 1.00 0.30 N ATOM 873 CA ASN A 89 3.927 -10.496 -1.374 1.00 0.34 C ATOM 874 C ASN A 89 4.468 -10.684 -2.797 1.00 0.36 C ATOM 875 O ASN A 89 4.196 -11.699 -3.450 1.00 0.45 O ATOM 876 CB ASN A 89 3.844 -11.828 -0.617 1.00 0.45 C ATOM 877 CG ASN A 89 5.197 -12.445 -0.421 1.00 1.07 C ATOM 878 OD1 ASN A 89 5.587 -13.405 -1.061 1.00 2.22 O ATOM 879 ND2 ASN A 89 5.957 -11.873 0.461 1.00 1.04 N ATOM 0 H ASN A 89 1.900 -10.764 -1.290 1.00 0.30 H new ATOM 0 HA ASN A 89 4.616 -9.798 -0.898 1.00 0.34 H new ATOM 0 HB2 ASN A 89 3.375 -11.665 0.353 1.00 0.45 H new ATOM 0 HB3 ASN A 89 3.206 -12.519 -1.168 1.00 0.45 H new ATOM 0 HD21 ASN A 89 6.899 -12.226 0.628 1.00 1.04 H new ATOM 0 HD22 ASN A 89 5.612 -11.070 0.987 1.00 1.04 H new ATOM 886 N VAL A 90 5.278 -9.739 -3.279 1.00 0.37 N ATOM 887 CA VAL A 90 5.863 -9.862 -4.633 1.00 0.51 C ATOM 888 C VAL A 90 7.014 -10.885 -4.721 1.00 0.66 C ATOM 889 O VAL A 90 7.468 -11.215 -5.815 1.00 0.92 O ATOM 890 CB VAL A 90 6.227 -8.498 -5.249 1.00 0.63 C ATOM 891 CG1 VAL A 90 5.033 -7.539 -5.157 1.00 0.63 C ATOM 892 CG2 VAL A 90 7.440 -7.830 -4.602 1.00 0.74 C ATOM 0 H VAL A 90 5.545 -8.895 -2.772 1.00 0.37 H new ATOM 0 HA VAL A 90 5.068 -10.276 -5.253 1.00 0.51 H new ATOM 0 HB VAL A 90 6.487 -8.706 -6.287 1.00 0.63 H new ATOM 0 HG11 VAL A 90 5.303 -6.578 -5.596 1.00 0.63 H new ATOM 0 HG12 VAL A 90 4.186 -7.960 -5.698 1.00 0.63 H new ATOM 0 HG13 VAL A 90 4.761 -7.396 -4.111 1.00 0.63 H new ATOM 0 HG21 VAL A 90 7.633 -6.875 -5.090 1.00 0.74 H new ATOM 0 HG22 VAL A 90 7.242 -7.663 -3.543 1.00 0.74 H new ATOM 0 HG23 VAL A 90 8.312 -8.475 -4.710 1.00 0.74 H new ATOM 902 N LEU A 91 7.460 -11.441 -3.582 1.00 0.64 N ATOM 903 CA LEU A 91 8.448 -12.532 -3.520 1.00 0.84 C ATOM 904 C LEU A 91 7.920 -13.864 -4.063 1.00 0.78 C ATOM 905 O LEU A 91 8.725 -14.696 -4.477 1.00 1.01 O ATOM 906 CB LEU A 91 8.879 -12.792 -2.067 1.00 1.00 C ATOM 907 CG LEU A 91 9.650 -11.677 -1.373 1.00 1.14 C ATOM 908 CD1 LEU A 91 9.894 -12.094 0.079 1.00 1.28 C ATOM 909 CD2 LEU A 91 10.992 -11.406 -2.048 1.00 1.54 C ATOM 0 H LEU A 91 7.138 -11.140 -2.662 1.00 0.64 H new ATOM 0 HA LEU A 91 9.279 -12.195 -4.140 1.00 0.84 H new ATOM 0 HB2 LEU A 91 7.986 -13.005 -1.480 1.00 1.00 H new ATOM 0 HB3 LEU A 91 9.493 -13.692 -2.050 1.00 1.00 H new ATOM 0 HG LEU A 91 9.061 -10.762 -1.429 1.00 1.14 H new ATOM 0 HD11 LEU A 91 10.446 -11.308 0.595 1.00 1.28 H new ATOM 0 HD12 LEU A 91 8.938 -12.253 0.577 1.00 1.28 H new ATOM 0 HD13 LEU A 91 10.473 -13.018 0.100 1.00 1.28 H new ATOM 0 HD21 LEU A 91 11.509 -10.604 -1.521 1.00 1.54 H new ATOM 0 HD22 LEU A 91 11.602 -12.309 -2.022 1.00 1.54 H new ATOM 0 HD23 LEU A 91 10.825 -11.111 -3.084 1.00 1.54 H new ATOM 921 N ASP A 92 6.608 -14.089 -4.010 1.00 0.61 N ATOM 922 CA ASP A 92 5.981 -15.349 -4.444 1.00 0.62 C ATOM 923 C ASP A 92 5.670 -15.386 -5.952 1.00 0.53 C ATOM 924 O ASP A 92 5.786 -16.432 -6.589 1.00 0.65 O ATOM 925 CB ASP A 92 4.709 -15.600 -3.624 1.00 0.83 C ATOM 926 CG ASP A 92 4.585 -17.043 -3.135 1.00 1.20 C ATOM 927 OD1 ASP A 92 5.384 -17.454 -2.258 1.00 2.36 O ATOM 928 OD2 ASP A 92 3.641 -17.746 -3.572 1.00 1.62 O ATOM 0 H ASP A 92 5.940 -13.401 -3.663 1.00 0.61 H new ATOM 0 HA ASP A 92 6.703 -16.146 -4.265 1.00 0.62 H new ATOM 0 HB2 ASP A 92 4.700 -14.930 -2.765 1.00 0.83 H new ATOM 0 HB3 ASP A 92 3.838 -15.352 -4.231 1.00 0.83 H new ATOM 933 N ASP A 93 5.287 -14.247 -6.533 1.00 0.51 N ATOM 934 CA ASP A 93 4.778 -14.125 -7.900 1.00 0.59 C ATOM 935 C ASP A 93 5.679 -13.215 -8.770 1.00 0.53 C ATOM 936 O ASP A 93 5.609 -11.983 -8.643 1.00 0.46 O ATOM 937 CB ASP A 93 3.368 -13.528 -7.830 1.00 0.86 C ATOM 938 CG ASP A 93 2.252 -14.505 -7.465 1.00 1.12 C ATOM 939 OD1 ASP A 93 1.648 -15.079 -8.408 1.00 1.49 O ATOM 940 OD2 ASP A 93 1.906 -14.615 -6.263 1.00 2.59 O ATOM 0 H ASP A 93 5.324 -13.352 -6.046 1.00 0.51 H new ATOM 0 HA ASP A 93 4.767 -15.113 -8.361 1.00 0.59 H new ATOM 0 HB2 ASP A 93 3.372 -12.720 -7.099 1.00 0.86 H new ATOM 0 HB3 ASP A 93 3.134 -13.082 -8.797 1.00 0.86 H new ATOM 945 N PRO A 94 6.460 -13.763 -9.725 1.00 0.62 N ATOM 946 CA PRO A 94 7.249 -12.943 -10.649 1.00 0.63 C ATOM 947 C PRO A 94 6.363 -12.072 -11.553 1.00 0.57 C ATOM 948 O PRO A 94 6.778 -10.990 -11.961 1.00 0.55 O ATOM 949 CB PRO A 94 8.082 -13.936 -11.461 1.00 0.83 C ATOM 950 CG PRO A 94 7.238 -15.207 -11.452 1.00 0.89 C ATOM 951 CD PRO A 94 6.596 -15.176 -10.067 1.00 0.77 C ATOM 0 HA PRO A 94 7.878 -12.235 -10.110 1.00 0.63 H new ATOM 0 HB2 PRO A 94 8.256 -13.578 -12.476 1.00 0.83 H new ATOM 0 HB3 PRO A 94 9.060 -14.102 -11.010 1.00 0.83 H new ATOM 0 HG2 PRO A 94 6.490 -15.202 -12.245 1.00 0.89 H new ATOM 0 HG3 PRO A 94 7.848 -16.099 -11.595 1.00 0.89 H new ATOM 0 HD2 PRO A 94 5.625 -15.672 -10.074 1.00 0.77 H new ATOM 0 HD3 PRO A 94 7.215 -15.698 -9.337 1.00 0.77 H new ATOM 959 N GLU A 95 5.121 -12.495 -11.800 1.00 0.59 N ATOM 960 CA GLU A 95 4.070 -11.740 -12.462 1.00 0.60 C ATOM 961 C GLU A 95 3.638 -10.491 -11.685 1.00 0.52 C ATOM 962 O GLU A 95 3.426 -9.432 -12.278 1.00 0.55 O ATOM 963 CB GLU A 95 2.863 -12.669 -12.539 1.00 0.71 C ATOM 964 CG GLU A 95 3.010 -13.903 -13.433 1.00 0.85 C ATOM 965 CD GLU A 95 1.692 -14.684 -13.443 1.00 2.37 C ATOM 966 OE1 GLU A 95 1.287 -15.180 -12.361 1.00 3.73 O ATOM 967 OE2 GLU A 95 1.055 -14.800 -14.519 1.00 3.17 O ATOM 0 H GLU A 95 4.811 -13.427 -11.525 1.00 0.59 H new ATOM 0 HA GLU A 95 4.442 -11.407 -13.431 1.00 0.60 H new ATOM 0 HB2 GLU A 95 2.625 -13.005 -11.530 1.00 0.71 H new ATOM 0 HB3 GLU A 95 2.009 -12.091 -12.892 1.00 0.71 H new ATOM 0 HG2 GLU A 95 3.275 -13.602 -14.447 1.00 0.85 H new ATOM 0 HG3 GLU A 95 3.818 -14.536 -13.067 1.00 0.85 H new ATOM 974 N LEU A 96 3.504 -10.603 -10.357 1.00 0.47 N ATOM 975 CA LEU A 96 3.204 -9.448 -9.505 1.00 0.43 C ATOM 976 C LEU A 96 4.406 -8.500 -9.496 1.00 0.38 C ATOM 977 O LEU A 96 4.237 -7.291 -9.616 1.00 0.39 O ATOM 978 CB LEU A 96 2.877 -9.839 -8.048 1.00 0.49 C ATOM 979 CG LEU A 96 1.541 -10.547 -7.764 1.00 0.45 C ATOM 980 CD1 LEU A 96 1.426 -10.779 -6.252 1.00 0.58 C ATOM 981 CD2 LEU A 96 0.322 -9.730 -8.191 1.00 0.62 C ATOM 0 H LEU A 96 3.599 -11.483 -9.850 1.00 0.47 H new ATOM 0 HA LEU A 96 2.319 -8.968 -9.924 1.00 0.43 H new ATOM 0 HB2 LEU A 96 3.678 -10.485 -7.690 1.00 0.49 H new ATOM 0 HB3 LEU A 96 2.906 -8.931 -7.446 1.00 0.49 H new ATOM 0 HG LEU A 96 1.546 -11.474 -8.337 1.00 0.45 H new ATOM 0 HD11 LEU A 96 0.484 -11.281 -6.031 1.00 0.58 H new ATOM 0 HD12 LEU A 96 2.256 -11.401 -5.915 1.00 0.58 H new ATOM 0 HD13 LEU A 96 1.457 -9.821 -5.733 1.00 0.58 H new ATOM 0 HD21 LEU A 96 -0.587 -10.286 -7.963 1.00 0.62 H new ATOM 0 HD22 LEU A 96 0.312 -8.782 -7.652 1.00 0.62 H new ATOM 0 HD23 LEU A 96 0.370 -9.538 -9.263 1.00 0.62 H new ATOM 993 N ARG A 97 5.621 -9.056 -9.395 1.00 0.39 N ATOM 994 CA ARG A 97 6.878 -8.294 -9.350 1.00 0.42 C ATOM 995 C ARG A 97 7.065 -7.460 -10.621 1.00 0.40 C ATOM 996 O ARG A 97 7.209 -6.239 -10.555 1.00 0.41 O ATOM 997 CB ARG A 97 8.031 -9.283 -9.114 1.00 0.51 C ATOM 998 CG ARG A 97 9.274 -8.611 -8.525 1.00 0.65 C ATOM 999 CD ARG A 97 10.399 -9.645 -8.399 1.00 0.76 C ATOM 1000 NE ARG A 97 11.291 -9.328 -7.272 1.00 2.32 N ATOM 1001 CZ ARG A 97 11.748 -10.151 -6.346 1.00 3.29 C ATOM 1002 NH1 ARG A 97 11.428 -11.413 -6.272 1.00 2.79 N ATOM 1003 NH2 ARG A 97 12.545 -9.661 -5.450 1.00 5.03 N ATOM 0 H ARG A 97 5.761 -10.065 -9.341 1.00 0.39 H new ATOM 0 HA ARG A 97 6.858 -7.577 -8.529 1.00 0.42 H new ATOM 0 HB2 ARG A 97 7.696 -10.072 -8.440 1.00 0.51 H new ATOM 0 HB3 ARG A 97 8.294 -9.760 -10.058 1.00 0.51 H new ATOM 0 HG2 ARG A 97 9.592 -7.787 -9.163 1.00 0.65 H new ATOM 0 HG3 ARG A 97 9.043 -8.187 -7.548 1.00 0.65 H new ATOM 0 HD2 ARG A 97 9.970 -10.637 -8.259 1.00 0.76 H new ATOM 0 HD3 ARG A 97 10.974 -9.674 -9.324 1.00 0.76 H new ATOM 0 HE ARG A 97 11.592 -8.356 -7.197 1.00 2.32 H new ATOM 0 HH11 ARG A 97 10.789 -11.818 -6.956 1.00 2.79 H new ATOM 0 HH12 ARG A 97 11.817 -11.995 -5.530 1.00 2.79 H new ATOM 0 HH21 ARG A 97 12.797 -8.673 -5.477 1.00 5.03 H new ATOM 0 HH22 ARG A 97 12.920 -10.263 -4.717 1.00 5.03 H new ATOM 1017 N GLN A 98 6.951 -8.106 -11.782 1.00 0.44 N ATOM 1018 CA GLN A 98 6.987 -7.442 -13.081 1.00 0.50 C ATOM 1019 C GLN A 98 5.886 -6.402 -13.209 1.00 0.46 C ATOM 1020 O GLN A 98 6.151 -5.250 -13.565 1.00 0.48 O ATOM 1021 CB GLN A 98 6.830 -8.495 -14.196 1.00 0.71 C ATOM 1022 CG GLN A 98 6.975 -7.912 -15.614 1.00 1.16 C ATOM 1023 CD GLN A 98 6.397 -8.804 -16.713 1.00 1.94 C ATOM 1024 OE1 GLN A 98 6.167 -10.000 -16.562 1.00 3.04 O ATOM 1025 NE2 GLN A 98 6.110 -8.228 -17.858 1.00 2.21 N ATOM 0 H GLN A 98 6.830 -9.117 -11.845 1.00 0.44 H new ATOM 0 HA GLN A 98 7.945 -6.931 -13.174 1.00 0.50 H new ATOM 0 HB2 GLN A 98 7.576 -9.277 -14.055 1.00 0.71 H new ATOM 0 HB3 GLN A 98 5.852 -8.968 -14.104 1.00 0.71 H new ATOM 0 HG2 GLN A 98 6.480 -6.942 -15.650 1.00 1.16 H new ATOM 0 HG3 GLN A 98 8.031 -7.739 -15.819 1.00 1.16 H new ATOM 0 HE21 GLN A 98 6.298 -7.234 -17.990 1.00 2.21 H new ATOM 0 HE22 GLN A 98 5.699 -8.774 -18.615 1.00 2.21 H new ATOM 1034 N GLY A 99 4.660 -6.814 -12.893 1.00 0.46 N ATOM 1035 CA GLY A 99 3.497 -5.960 -13.075 1.00 0.49 C ATOM 1036 C GLY A 99 3.548 -4.702 -12.204 1.00 0.46 C ATOM 1037 O GLY A 99 3.094 -3.647 -12.648 1.00 0.52 O ATOM 0 H GLY A 99 4.450 -7.736 -12.510 1.00 0.46 H new ATOM 0 HA2 GLY A 99 3.425 -5.669 -14.123 1.00 0.49 H new ATOM 0 HA3 GLY A 99 2.595 -6.525 -12.838 1.00 0.49 H new ATOM 1041 N ILE A 100 4.152 -4.771 -11.009 1.00 0.41 N ATOM 1042 CA ILE A 100 4.214 -3.649 -10.072 1.00 0.42 C ATOM 1043 C ILE A 100 5.405 -2.733 -10.336 1.00 0.48 C ATOM 1044 O ILE A 100 5.261 -1.514 -10.217 1.00 0.54 O ATOM 1045 CB ILE A 100 4.133 -4.145 -8.631 1.00 0.39 C ATOM 1046 CG1 ILE A 100 3.542 -3.072 -7.715 1.00 0.43 C ATOM 1047 CG2 ILE A 100 5.476 -4.602 -8.037 1.00 0.40 C ATOM 1048 CD1 ILE A 100 2.168 -2.484 -8.062 1.00 0.56 C ATOM 0 H ILE A 100 4.613 -5.614 -10.667 1.00 0.41 H new ATOM 0 HA ILE A 100 3.339 -3.021 -10.239 1.00 0.42 H new ATOM 0 HB ILE A 100 3.485 -5.020 -8.680 1.00 0.39 H new ATOM 0 HG12 ILE A 100 3.478 -3.493 -6.711 1.00 0.43 H new ATOM 0 HG13 ILE A 100 4.253 -2.247 -7.670 1.00 0.43 H new ATOM 0 HG21 ILE A 100 5.325 -4.938 -7.011 1.00 0.40 H new ATOM 0 HG22 ILE A 100 5.877 -5.423 -8.632 1.00 0.40 H new ATOM 0 HG23 ILE A 100 6.180 -3.770 -8.046 1.00 0.40 H new ATOM 0 HD11 ILE A 100 1.892 -1.738 -7.316 1.00 0.56 H new ATOM 0 HD12 ILE A 100 2.211 -2.015 -9.045 1.00 0.56 H new ATOM 0 HD13 ILE A 100 1.423 -3.280 -8.071 1.00 0.56 H new ATOM 1060 N LYS A 101 6.547 -3.293 -10.771 1.00 0.48 N ATOM 1061 CA LYS A 101 7.670 -2.499 -11.297 1.00 0.55 C ATOM 1062 C LYS A 101 7.250 -1.694 -12.528 1.00 0.59 C ATOM 1063 O LYS A 101 7.602 -0.524 -12.635 1.00 0.72 O ATOM 1064 CB LYS A 101 8.850 -3.414 -11.649 1.00 0.58 C ATOM 1065 CG LYS A 101 9.555 -3.992 -10.410 1.00 0.58 C ATOM 1066 CD LYS A 101 10.634 -5.005 -10.812 1.00 0.68 C ATOM 1067 CE LYS A 101 11.824 -4.284 -11.451 1.00 1.41 C ATOM 1068 NZ LYS A 101 12.677 -5.192 -12.243 1.00 1.76 N ATOM 0 H LYS A 101 6.717 -4.299 -10.768 1.00 0.48 H new ATOM 0 HA LYS A 101 7.978 -1.799 -10.520 1.00 0.55 H new ATOM 0 HB2 LYS A 101 8.493 -4.234 -12.272 1.00 0.58 H new ATOM 0 HB3 LYS A 101 9.572 -2.854 -12.242 1.00 0.58 H new ATOM 0 HG2 LYS A 101 10.007 -3.184 -9.835 1.00 0.58 H new ATOM 0 HG3 LYS A 101 8.822 -4.474 -9.762 1.00 0.58 H new ATOM 0 HD2 LYS A 101 10.965 -5.562 -9.935 1.00 0.68 H new ATOM 0 HD3 LYS A 101 10.220 -5.730 -11.513 1.00 0.68 H new ATOM 0 HE2 LYS A 101 11.457 -3.483 -12.093 1.00 1.41 H new ATOM 0 HE3 LYS A 101 12.424 -3.817 -10.670 1.00 1.41 H new ATOM 0 HZ1 LYS A 101 13.467 -4.655 -12.654 1.00 1.76 H new ATOM 0 HZ2 LYS A 101 13.051 -5.942 -11.627 1.00 1.76 H new ATOM 0 HZ3 LYS A 101 12.114 -5.619 -13.006 1.00 1.76 H new ATOM 1082 N ASP A 102 6.437 -2.292 -13.405 1.00 0.56 N ATOM 1083 CA ASP A 102 5.847 -1.622 -14.566 1.00 0.65 C ATOM 1084 C ASP A 102 4.887 -0.497 -14.119 1.00 0.64 C ATOM 1085 O ASP A 102 5.131 0.675 -14.410 1.00 0.71 O ATOM 1086 CB ASP A 102 5.187 -2.690 -15.470 1.00 0.81 C ATOM 1087 CG ASP A 102 4.776 -2.218 -16.872 1.00 1.08 C ATOM 1088 OD1 ASP A 102 4.347 -1.051 -17.042 1.00 1.95 O ATOM 1089 OD2 ASP A 102 4.879 -3.033 -17.825 1.00 2.09 O ATOM 0 H ASP A 102 6.167 -3.272 -13.326 1.00 0.56 H new ATOM 0 HA ASP A 102 6.614 -1.123 -15.158 1.00 0.65 H new ATOM 0 HB2 ASP A 102 5.879 -3.526 -15.577 1.00 0.81 H new ATOM 0 HB3 ASP A 102 4.302 -3.072 -14.962 1.00 0.81 H new ATOM 1094 N TYR A 103 3.859 -0.820 -13.325 1.00 0.63 N ATOM 1095 CA TYR A 103 2.805 0.122 -12.903 1.00 0.73 C ATOM 1096 C TYR A 103 3.335 1.312 -12.080 1.00 0.82 C ATOM 1097 O TYR A 103 2.875 2.446 -12.239 1.00 0.96 O ATOM 1098 CB TYR A 103 1.772 -0.674 -12.095 1.00 0.82 C ATOM 1099 CG TYR A 103 0.381 -0.086 -11.987 1.00 0.78 C ATOM 1100 CD1 TYR A 103 0.114 0.943 -11.066 1.00 2.15 C ATOM 1101 CD2 TYR A 103 -0.672 -0.660 -12.727 1.00 1.48 C ATOM 1102 CE1 TYR A 103 -1.218 1.342 -10.829 1.00 2.20 C ATOM 1103 CE2 TYR A 103 -2.003 -0.274 -12.482 1.00 1.45 C ATOM 1104 CZ TYR A 103 -2.280 0.705 -11.506 1.00 0.83 C ATOM 1105 OH TYR A 103 -3.566 1.037 -11.227 1.00 0.90 O ATOM 0 H TYR A 103 3.730 -1.759 -12.949 1.00 0.63 H new ATOM 0 HA TYR A 103 2.362 0.565 -13.795 1.00 0.73 H new ATOM 0 HB2 TYR A 103 1.687 -1.666 -12.539 1.00 0.82 H new ATOM 0 HB3 TYR A 103 2.162 -0.808 -11.086 1.00 0.82 H new ATOM 0 HD1 TYR A 103 0.926 1.426 -10.542 1.00 2.15 H new ATOM 0 HD2 TYR A 103 -0.457 -1.399 -13.485 1.00 1.48 H new ATOM 0 HE1 TYR A 103 -1.426 2.137 -10.128 1.00 2.20 H new ATOM 0 HE2 TYR A 103 -2.810 -0.726 -13.040 1.00 1.45 H new ATOM 0 HH TYR A 103 -4.170 0.503 -11.784 1.00 0.90 H new ATOM 1115 N SER A 104 4.328 1.066 -11.220 1.00 0.81 N ATOM 1116 CA SER A 104 5.014 2.092 -10.413 1.00 0.94 C ATOM 1117 C SER A 104 6.141 2.799 -11.178 1.00 0.98 C ATOM 1118 O SER A 104 6.695 3.792 -10.694 1.00 1.16 O ATOM 1119 CB SER A 104 5.594 1.470 -9.135 1.00 1.16 C ATOM 1120 OG SER A 104 4.647 0.633 -8.506 1.00 1.58 O ATOM 0 H SER A 104 4.689 0.126 -11.058 1.00 0.81 H new ATOM 0 HA SER A 104 4.260 2.839 -10.164 1.00 0.94 H new ATOM 0 HB2 SER A 104 6.488 0.895 -9.379 1.00 1.16 H new ATOM 0 HB3 SER A 104 5.900 2.259 -8.448 1.00 1.16 H new ATOM 0 HG SER A 104 4.650 -0.247 -8.938 1.00 1.58 H new ATOM 1126 N ASN A 105 6.493 2.277 -12.358 1.00 0.91 N ATOM 1127 CA ASN A 105 7.671 2.627 -13.157 1.00 0.99 C ATOM 1128 C ASN A 105 9.011 2.581 -12.383 1.00 1.00 C ATOM 1129 O ASN A 105 9.915 3.366 -12.680 1.00 1.05 O ATOM 1130 CB ASN A 105 7.395 3.965 -13.869 1.00 1.17 C ATOM 1131 CG ASN A 105 8.161 4.115 -15.165 1.00 1.33 C ATOM 1132 OD1 ASN A 105 7.744 3.649 -16.217 1.00 1.55 O ATOM 1133 ND2 ASN A 105 9.292 4.768 -15.154 1.00 1.39 N ATOM 0 H ASN A 105 5.929 1.556 -12.807 1.00 0.91 H new ATOM 0 HA ASN A 105 7.822 1.853 -13.909 1.00 0.99 H new ATOM 0 HB2 ASN A 105 6.327 4.048 -14.073 1.00 1.17 H new ATOM 0 HB3 ASN A 105 7.657 4.786 -13.202 1.00 1.17 H new ATOM 0 HD21 ASN A 105 9.821 4.887 -16.018 1.00 1.39 H new ATOM 0 HD22 ASN A 105 9.646 5.159 -14.281 1.00 1.39 H new ATOM 1140 N TRP A 106 9.152 1.728 -11.359 1.00 1.00 N ATOM 1141 CA TRP A 106 10.258 1.769 -10.403 1.00 0.91 C ATOM 1142 C TRP A 106 10.913 0.393 -10.208 1.00 0.85 C ATOM 1143 O TRP A 106 10.190 -0.578 -9.976 1.00 0.85 O ATOM 1144 CB TRP A 106 9.763 2.329 -9.059 1.00 0.92 C ATOM 1145 CG TRP A 106 10.583 3.471 -8.561 1.00 0.96 C ATOM 1146 CD1 TRP A 106 11.523 3.410 -7.596 1.00 0.96 C ATOM 1147 CD2 TRP A 106 10.573 4.854 -9.019 1.00 1.08 C ATOM 1148 NE1 TRP A 106 12.083 4.657 -7.411 1.00 1.07 N ATOM 1149 CE2 TRP A 106 11.525 5.591 -8.254 1.00 1.14 C ATOM 1150 CE3 TRP A 106 9.862 5.555 -10.013 1.00 1.20 C ATOM 1151 CZ2 TRP A 106 11.735 6.963 -8.448 1.00 1.30 C ATOM 1152 CZ3 TRP A 106 10.048 6.938 -10.199 1.00 1.36 C ATOM 1153 CH2 TRP A 106 10.982 7.643 -9.420 1.00 1.41 C ATOM 0 H TRP A 106 8.486 0.978 -11.172 1.00 1.00 H new ATOM 0 HA TRP A 106 11.025 2.427 -10.811 1.00 0.91 H new ATOM 0 HB2 TRP A 106 8.728 2.653 -9.167 1.00 0.92 H new ATOM 0 HB3 TRP A 106 9.772 1.532 -8.315 1.00 0.92 H new ATOM 0 HD1 TRP A 106 11.796 2.519 -7.050 1.00 0.96 H new ATOM 0 HE1 TRP A 106 12.818 4.861 -6.734 1.00 1.07 H new ATOM 0 HE3 TRP A 106 9.163 5.023 -10.642 1.00 1.20 H new ATOM 0 HZ2 TRP A 106 12.468 7.492 -7.857 1.00 1.30 H new ATOM 0 HZ3 TRP A 106 9.469 7.461 -10.946 1.00 1.36 H new ATOM 0 HH2 TRP A 106 11.120 8.704 -9.568 1.00 1.41 H new ATOM 1164 N PRO A 107 12.256 0.295 -10.204 1.00 0.90 N ATOM 1165 CA PRO A 107 12.970 -0.946 -9.898 1.00 0.88 C ATOM 1166 C PRO A 107 12.605 -1.551 -8.532 1.00 0.82 C ATOM 1167 O PRO A 107 12.413 -2.764 -8.416 1.00 0.79 O ATOM 1168 CB PRO A 107 14.463 -0.592 -9.958 1.00 0.92 C ATOM 1169 CG PRO A 107 14.526 0.647 -10.849 1.00 1.63 C ATOM 1170 CD PRO A 107 13.177 1.331 -10.649 1.00 1.11 C ATOM 0 HA PRO A 107 12.692 -1.716 -10.618 1.00 0.88 H new ATOM 0 HB2 PRO A 107 14.863 -0.388 -8.965 1.00 0.92 H new ATOM 0 HB3 PRO A 107 15.049 -1.411 -10.375 1.00 0.92 H new ATOM 0 HG2 PRO A 107 15.349 1.301 -10.561 1.00 1.63 H new ATOM 0 HG3 PRO A 107 14.683 0.377 -11.893 1.00 1.63 H new ATOM 0 HD2 PRO A 107 13.251 2.129 -9.910 1.00 1.11 H new ATOM 0 HD3 PRO A 107 12.831 1.787 -11.577 1.00 1.11 H new ATOM 1178 N THR A 108 12.508 -0.735 -7.476 1.00 0.86 N ATOM 1179 CA THR A 108 12.205 -1.170 -6.092 1.00 0.97 C ATOM 1180 C THR A 108 11.769 -0.009 -5.188 1.00 1.05 C ATOM 1181 O THR A 108 12.585 0.695 -4.594 1.00 1.57 O ATOM 1182 CB THR A 108 13.406 -1.842 -5.401 1.00 1.32 C ATOM 1183 OG1 THR A 108 13.981 -2.873 -6.176 1.00 2.55 O ATOM 1184 CG2 THR A 108 13.021 -2.487 -4.067 1.00 1.75 C ATOM 0 H THR A 108 12.640 0.273 -7.554 1.00 0.86 H new ATOM 0 HA THR A 108 11.390 -1.884 -6.213 1.00 0.97 H new ATOM 0 HB THR A 108 14.117 -1.028 -5.257 1.00 1.32 H new ATOM 0 HG1 THR A 108 14.738 -3.263 -5.691 1.00 2.55 H new ATOM 0 HG21 THR A 108 13.901 -2.948 -3.618 1.00 1.75 H new ATOM 0 HG22 THR A 108 12.628 -1.725 -3.394 1.00 1.75 H new ATOM 0 HG23 THR A 108 12.260 -3.248 -4.237 1.00 1.75 H new ATOM 1192 N ILE A 109 10.460 0.127 -5.020 1.00 0.93 N ATOM 1193 CA ILE A 109 9.782 0.778 -3.885 1.00 0.82 C ATOM 1194 C ILE A 109 8.555 -0.083 -3.527 1.00 0.90 C ATOM 1195 O ILE A 109 7.939 -0.607 -4.462 1.00 1.39 O ATOM 1196 CB ILE A 109 9.378 2.230 -4.262 1.00 1.16 C ATOM 1197 CG1 ILE A 109 10.565 3.219 -4.268 1.00 2.04 C ATOM 1198 CG2 ILE A 109 8.270 2.806 -3.366 1.00 1.15 C ATOM 1199 CD1 ILE A 109 11.191 3.516 -2.899 1.00 3.47 C ATOM 0 H ILE A 109 9.797 -0.232 -5.707 1.00 0.93 H new ATOM 0 HA ILE A 109 10.442 0.851 -3.021 1.00 0.82 H new ATOM 0 HB ILE A 109 8.998 2.131 -5.279 1.00 1.16 H new ATOM 0 HG12 ILE A 109 11.341 2.823 -4.923 1.00 2.04 H new ATOM 0 HG13 ILE A 109 10.228 4.159 -4.705 1.00 2.04 H new ATOM 0 HG21 ILE A 109 8.036 3.822 -3.684 1.00 1.15 H new ATOM 0 HG22 ILE A 109 7.377 2.186 -3.447 1.00 1.15 H new ATOM 0 HG23 ILE A 109 8.610 2.819 -2.330 1.00 1.15 H new ATOM 0 HD11 ILE A 109 12.014 4.221 -3.020 1.00 3.47 H new ATOM 0 HD12 ILE A 109 10.437 3.948 -2.240 1.00 3.47 H new ATOM 0 HD13 ILE A 109 11.567 2.591 -2.462 1.00 3.47 H new ATOM 1211 N PRO A 110 8.161 -0.229 -2.246 1.00 0.74 N ATOM 1212 CA PRO A 110 6.834 -0.710 -1.862 1.00 0.77 C ATOM 1213 C PRO A 110 5.843 0.444 -1.655 1.00 0.52 C ATOM 1214 O PRO A 110 6.229 1.545 -1.248 1.00 0.50 O ATOM 1215 CB PRO A 110 7.051 -1.517 -0.590 1.00 1.05 C ATOM 1216 CG PRO A 110 8.228 -0.830 0.082 1.00 0.69 C ATOM 1217 CD PRO A 110 9.036 -0.239 -1.081 1.00 0.76 C ATOM 0 HA PRO A 110 6.386 -1.320 -2.647 1.00 0.77 H new ATOM 0 HB2 PRO A 110 6.166 -1.506 0.046 1.00 1.05 H new ATOM 0 HB3 PRO A 110 7.271 -2.561 -0.812 1.00 1.05 H new ATOM 0 HG2 PRO A 110 7.895 -0.053 0.770 1.00 0.69 H new ATOM 0 HG3 PRO A 110 8.823 -1.536 0.661 1.00 0.69 H new ATOM 0 HD2 PRO A 110 9.373 0.770 -0.843 1.00 0.76 H new ATOM 0 HD3 PRO A 110 9.928 -0.836 -1.274 1.00 0.76 H new ATOM 1225 N GLN A 111 4.561 0.194 -1.931 1.00 0.50 N ATOM 1226 CA GLN A 111 3.522 1.227 -2.011 1.00 0.54 C ATOM 1227 C GLN A 111 2.165 0.736 -1.487 1.00 0.41 C ATOM 1228 O GLN A 111 1.985 -0.445 -1.170 1.00 0.45 O ATOM 1229 CB GLN A 111 3.427 1.783 -3.453 1.00 1.05 C ATOM 1230 CG GLN A 111 3.309 0.760 -4.597 1.00 0.92 C ATOM 1231 CD GLN A 111 4.623 0.055 -4.910 1.00 1.21 C ATOM 1232 OE1 GLN A 111 4.766 -1.149 -4.737 1.00 2.57 O ATOM 1233 NE2 GLN A 111 5.657 0.770 -5.298 1.00 1.38 N ATOM 0 H GLN A 111 4.209 -0.747 -2.108 1.00 0.50 H new ATOM 0 HA GLN A 111 3.814 2.045 -1.352 1.00 0.54 H new ATOM 0 HB2 GLN A 111 2.563 2.446 -3.503 1.00 1.05 H new ATOM 0 HB3 GLN A 111 4.310 2.395 -3.637 1.00 1.05 H new ATOM 0 HG2 GLN A 111 2.558 0.015 -4.333 1.00 0.92 H new ATOM 0 HG3 GLN A 111 2.954 1.267 -5.494 1.00 0.92 H new ATOM 0 HE21 GLN A 111 5.556 1.774 -5.447 1.00 1.38 H new ATOM 0 HE22 GLN A 111 6.560 0.320 -5.450 1.00 1.38 H new ATOM 1242 N VAL A 112 1.194 1.650 -1.390 1.00 0.38 N ATOM 1243 CA VAL A 112 -0.195 1.321 -1.083 1.00 0.35 C ATOM 1244 C VAL A 112 -1.122 2.084 -2.020 1.00 0.40 C ATOM 1245 O VAL A 112 -0.857 3.232 -2.393 1.00 0.60 O ATOM 1246 CB VAL A 112 -0.501 1.536 0.412 1.00 0.33 C ATOM 1247 CG1 VAL A 112 -0.468 2.998 0.863 1.00 0.36 C ATOM 1248 CG2 VAL A 112 -1.848 0.931 0.822 1.00 0.32 C ATOM 0 H VAL A 112 1.356 2.648 -1.524 1.00 0.38 H new ATOM 0 HA VAL A 112 -0.372 0.260 -1.260 1.00 0.35 H new ATOM 0 HB VAL A 112 0.313 1.016 0.916 1.00 0.33 H new ATOM 0 HG11 VAL A 112 -0.695 3.056 1.928 1.00 0.36 H new ATOM 0 HG12 VAL A 112 0.523 3.413 0.680 1.00 0.36 H new ATOM 0 HG13 VAL A 112 -1.209 3.568 0.303 1.00 0.36 H new ATOM 0 HG21 VAL A 112 -2.018 1.108 1.884 1.00 0.32 H new ATOM 0 HG22 VAL A 112 -2.647 1.396 0.244 1.00 0.32 H new ATOM 0 HG23 VAL A 112 -1.838 -0.142 0.630 1.00 0.32 H new ATOM 1258 N TYR A 113 -2.208 1.418 -2.396 1.00 0.35 N ATOM 1259 CA TYR A 113 -3.287 1.971 -3.211 1.00 0.33 C ATOM 1260 C TYR A 113 -4.570 1.939 -2.392 1.00 0.30 C ATOM 1261 O TYR A 113 -4.895 0.909 -1.788 1.00 0.32 O ATOM 1262 CB TYR A 113 -3.437 1.179 -4.516 1.00 0.35 C ATOM 1263 CG TYR A 113 -2.177 1.125 -5.356 1.00 0.39 C ATOM 1264 CD1 TYR A 113 -1.167 0.203 -5.027 1.00 2.28 C ATOM 1265 CD2 TYR A 113 -2.014 1.965 -6.473 1.00 1.95 C ATOM 1266 CE1 TYR A 113 0.003 0.117 -5.799 1.00 2.42 C ATOM 1267 CE2 TYR A 113 -0.828 1.903 -7.231 1.00 1.85 C ATOM 1268 CZ TYR A 113 0.186 0.985 -6.891 1.00 0.67 C ATOM 1269 OH TYR A 113 1.345 0.947 -7.596 1.00 0.88 O ATOM 0 H TYR A 113 -2.368 0.445 -2.134 1.00 0.35 H new ATOM 0 HA TYR A 113 -3.060 3.001 -3.487 1.00 0.33 H new ATOM 0 HB2 TYR A 113 -3.745 0.161 -4.277 1.00 0.35 H new ATOM 0 HB3 TYR A 113 -4.237 1.624 -5.108 1.00 0.35 H new ATOM 0 HD1 TYR A 113 -1.292 -0.445 -4.172 1.00 2.28 H new ATOM 0 HD2 TYR A 113 -2.797 2.656 -6.749 1.00 1.95 H new ATOM 0 HE1 TYR A 113 0.760 -0.613 -5.555 1.00 2.42 H new ATOM 0 HE2 TYR A 113 -0.695 2.562 -8.076 1.00 1.85 H new ATOM 0 HH TYR A 113 1.776 1.827 -7.564 1.00 0.88 H new ATOM 1279 N LEU A 114 -5.297 3.057 -2.364 1.00 0.29 N ATOM 1280 CA LEU A 114 -6.597 3.137 -1.701 1.00 0.27 C ATOM 1281 C LEU A 114 -7.696 3.299 -2.737 1.00 0.31 C ATOM 1282 O LEU A 114 -7.652 4.192 -3.587 1.00 0.37 O ATOM 1283 CB LEU A 114 -6.647 4.216 -0.605 1.00 0.32 C ATOM 1284 CG LEU A 114 -6.417 3.623 0.799 1.00 0.35 C ATOM 1285 CD1 LEU A 114 -4.964 3.229 0.990 1.00 0.31 C ATOM 1286 CD2 LEU A 114 -6.824 4.605 1.892 1.00 0.60 C ATOM 0 H LEU A 114 -5.001 3.930 -2.800 1.00 0.29 H new ATOM 0 HA LEU A 114 -6.763 2.198 -1.173 1.00 0.27 H new ATOM 0 HB2 LEU A 114 -5.890 4.974 -0.807 1.00 0.32 H new ATOM 0 HB3 LEU A 114 -7.615 4.717 -0.633 1.00 0.32 H new ATOM 0 HG LEU A 114 -7.043 2.734 0.878 1.00 0.35 H new ATOM 0 HD11 LEU A 114 -4.828 2.813 1.988 1.00 0.31 H new ATOM 0 HD12 LEU A 114 -4.689 2.482 0.245 1.00 0.31 H new ATOM 0 HD13 LEU A 114 -4.330 4.108 0.874 1.00 0.31 H new ATOM 0 HD21 LEU A 114 -6.649 4.155 2.869 1.00 0.60 H new ATOM 0 HD22 LEU A 114 -6.233 5.516 1.801 1.00 0.60 H new ATOM 0 HD23 LEU A 114 -7.882 4.847 1.788 1.00 0.60 H new ATOM 1298 N ASN A 115 -8.674 2.402 -2.654 1.00 0.31 N ATOM 1299 CA ASN A 115 -9.803 2.303 -3.583 1.00 0.35 C ATOM 1300 C ASN A 115 -9.368 2.180 -5.062 1.00 0.38 C ATOM 1301 O ASN A 115 -9.998 2.723 -5.972 1.00 0.43 O ATOM 1302 CB ASN A 115 -10.770 3.456 -3.306 1.00 0.39 C ATOM 1303 CG ASN A 115 -12.182 3.112 -3.729 1.00 0.55 C ATOM 1304 OD1 ASN A 115 -12.485 2.060 -4.276 1.00 0.71 O ATOM 1305 ND2 ASN A 115 -13.107 3.962 -3.411 1.00 0.67 N ATOM 0 H ASN A 115 -8.707 1.699 -1.915 1.00 0.31 H new ATOM 0 HA ASN A 115 -10.333 1.367 -3.405 1.00 0.35 H new ATOM 0 HB2 ASN A 115 -10.756 3.696 -2.243 1.00 0.39 H new ATOM 0 HB3 ASN A 115 -10.437 4.347 -3.838 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -14.084 3.753 -3.617 1.00 0.67 H new ATOM 0 HD22 ASN A 115 -12.858 4.840 -2.955 1.00 0.67 H new ATOM 1312 N GLY A 116 -8.240 1.508 -5.289 1.00 0.44 N ATOM 1313 CA GLY A 116 -7.600 1.338 -6.592 1.00 0.47 C ATOM 1314 C GLY A 116 -6.859 2.544 -7.180 1.00 0.52 C ATOM 1315 O GLY A 116 -6.514 2.514 -8.363 1.00 0.72 O ATOM 0 H GLY A 116 -7.726 1.048 -4.538 1.00 0.44 H new ATOM 0 HA2 GLY A 116 -6.891 0.514 -6.513 1.00 0.47 H new ATOM 0 HA3 GLY A 116 -8.366 1.033 -7.305 1.00 0.47 H new ATOM 1319 N GLU A 117 -6.619 3.603 -6.402 1.00 0.47 N ATOM 1320 CA GLU A 117 -5.885 4.800 -6.821 1.00 0.52 C ATOM 1321 C GLU A 117 -4.575 4.950 -6.042 1.00 0.46 C ATOM 1322 O GLU A 117 -4.458 4.548 -4.882 1.00 0.36 O ATOM 1323 CB GLU A 117 -6.817 6.009 -6.739 1.00 0.59 C ATOM 1324 CG GLU A 117 -6.237 7.323 -7.223 1.00 0.77 C ATOM 1325 CD GLU A 117 -7.320 8.411 -7.326 1.00 0.97 C ATOM 1326 OE1 GLU A 117 -8.129 8.395 -8.289 1.00 1.61 O ATOM 1327 OE2 GLU A 117 -7.397 9.310 -6.458 1.00 1.60 O ATOM 0 H GLU A 117 -6.939 3.653 -5.435 1.00 0.47 H new ATOM 0 HA GLU A 117 -5.572 4.712 -7.861 1.00 0.52 H new ATOM 0 HB2 GLU A 117 -7.713 5.793 -7.320 1.00 0.59 H new ATOM 0 HB3 GLU A 117 -7.131 6.132 -5.703 1.00 0.59 H new ATOM 0 HG2 GLU A 117 -5.454 7.651 -6.539 1.00 0.77 H new ATOM 0 HG3 GLU A 117 -5.770 7.179 -8.197 1.00 0.77 H new ATOM 1334 N PHE A 118 -3.569 5.476 -6.736 1.00 0.53 N ATOM 1335 CA PHE A 118 -2.175 5.523 -6.306 1.00 0.46 C ATOM 1336 C PHE A 118 -1.869 6.769 -5.481 1.00 0.52 C ATOM 1337 O PHE A 118 -2.252 7.903 -5.767 1.00 0.74 O ATOM 1338 CB PHE A 118 -1.298 5.418 -7.561 1.00 0.52 C ATOM 1339 CG PHE A 118 0.164 5.015 -7.461 1.00 0.72 C ATOM 1340 CD1 PHE A 118 0.827 4.683 -6.257 1.00 1.68 C ATOM 1341 CD2 PHE A 118 0.851 4.890 -8.679 1.00 2.11 C ATOM 1342 CE1 PHE A 118 2.167 4.250 -6.288 1.00 1.85 C ATOM 1343 CE2 PHE A 118 2.180 4.436 -8.711 1.00 2.40 C ATOM 1344 CZ PHE A 118 2.842 4.122 -7.514 1.00 1.57 C ATOM 0 H PHE A 118 -3.710 5.899 -7.653 1.00 0.53 H new ATOM 0 HA PHE A 118 -1.962 4.688 -5.639 1.00 0.46 H new ATOM 0 HB2 PHE A 118 -1.781 4.705 -8.230 1.00 0.52 H new ATOM 0 HB3 PHE A 118 -1.329 6.389 -8.055 1.00 0.52 H new ATOM 0 HD1 PHE A 118 0.306 4.761 -5.314 1.00 1.68 H new ATOM 0 HD2 PHE A 118 0.352 5.146 -9.602 1.00 2.11 H new ATOM 0 HE1 PHE A 118 2.678 4.015 -5.366 1.00 1.85 H new ATOM 0 HE2 PHE A 118 2.692 4.329 -9.656 1.00 2.40 H new ATOM 0 HZ PHE A 118 3.867 3.783 -7.535 1.00 1.57 H new ATOM 1354 N VAL A 119 -1.198 6.486 -4.378 1.00 0.41 N ATOM 1355 CA VAL A 119 -1.533 7.048 -3.078 1.00 0.35 C ATOM 1356 C VAL A 119 -0.260 7.162 -2.255 1.00 0.53 C ATOM 1357 O VAL A 119 0.003 8.234 -1.723 1.00 0.74 O ATOM 1358 CB VAL A 119 -2.621 6.122 -2.501 1.00 0.53 C ATOM 1359 CG1 VAL A 119 -2.527 5.717 -1.050 1.00 0.79 C ATOM 1360 CG2 VAL A 119 -3.974 6.795 -2.728 1.00 1.51 C ATOM 0 H VAL A 119 -0.398 5.854 -4.358 1.00 0.41 H new ATOM 0 HA VAL A 119 -1.934 8.061 -3.103 1.00 0.35 H new ATOM 0 HB VAL A 119 -2.479 5.182 -3.034 1.00 0.53 H new ATOM 0 HG11 VAL A 119 -3.365 5.066 -0.799 1.00 0.79 H new ATOM 0 HG12 VAL A 119 -1.591 5.185 -0.881 1.00 0.79 H new ATOM 0 HG13 VAL A 119 -2.557 6.607 -0.421 1.00 0.79 H new ATOM 0 HG21 VAL A 119 -4.767 6.162 -2.329 1.00 1.51 H new ATOM 0 HG22 VAL A 119 -3.990 7.760 -2.221 1.00 1.51 H new ATOM 0 HG23 VAL A 119 -4.132 6.944 -3.796 1.00 1.51 H new ATOM 1370 N GLY A 120 0.633 6.171 -2.348 1.00 0.51 N ATOM 1371 CA GLY A 120 2.047 6.498 -2.489 1.00 0.58 C ATOM 1372 C GLY A 120 3.031 5.371 -2.194 1.00 0.45 C ATOM 1373 O GLY A 120 2.680 4.359 -1.583 1.00 0.55 O ATOM 0 H GLY A 120 0.411 5.176 -2.329 1.00 0.51 H new ATOM 0 HA2 GLY A 120 2.219 6.845 -3.508 1.00 0.58 H new ATOM 0 HA3 GLY A 120 2.273 7.333 -1.826 1.00 0.58 H new ATOM 1377 N GLY A 121 4.275 5.575 -2.631 1.00 0.45 N ATOM 1378 CA GLY A 121 5.434 4.779 -2.221 1.00 0.45 C ATOM 1379 C GLY A 121 5.939 5.132 -0.821 1.00 0.46 C ATOM 1380 O GLY A 121 5.530 6.125 -0.221 1.00 0.45 O ATOM 0 H GLY A 121 4.510 6.314 -3.294 1.00 0.45 H new ATOM 0 HA2 GLY A 121 5.170 3.722 -2.250 1.00 0.45 H new ATOM 0 HA3 GLY A 121 6.241 4.926 -2.939 1.00 0.45 H new ATOM 1384 N CYS A 122 6.835 4.311 -0.280 1.00 0.53 N ATOM 1385 CA CYS A 122 7.251 4.377 1.124 1.00 0.52 C ATOM 1386 C CYS A 122 7.914 5.700 1.563 1.00 0.51 C ATOM 1387 O CYS A 122 7.777 6.084 2.727 1.00 0.59 O ATOM 1388 CB CYS A 122 8.168 3.165 1.355 1.00 0.69 C ATOM 1389 SG CYS A 122 8.440 2.823 3.113 1.00 0.91 S ATOM 0 H CYS A 122 7.300 3.572 -0.807 1.00 0.53 H new ATOM 0 HA CYS A 122 6.360 4.349 1.752 1.00 0.52 H new ATOM 0 HB2 CYS A 122 7.729 2.287 0.881 1.00 0.69 H new ATOM 0 HB3 CYS A 122 9.128 3.343 0.870 1.00 0.69 H new ATOM 0 HG CYS A 122 8.239 1.560 3.346 1.00 0.91 H new ATOM 1395 N ASP A 123 8.586 6.443 0.677 1.00 0.54 N ATOM 1396 CA ASP A 123 9.102 7.783 1.024 1.00 0.58 C ATOM 1397 C ASP A 123 8.000 8.856 1.007 1.00 0.54 C ATOM 1398 O ASP A 123 8.042 9.808 1.787 1.00 0.67 O ATOM 1399 CB ASP A 123 10.242 8.179 0.074 1.00 0.80 C ATOM 1400 CG ASP A 123 10.993 9.424 0.564 1.00 1.24 C ATOM 1401 OD1 ASP A 123 11.456 9.440 1.730 1.00 2.21 O ATOM 1402 OD2 ASP A 123 11.177 10.382 -0.230 1.00 2.14 O ATOM 0 H ASP A 123 8.787 6.148 -0.278 1.00 0.54 H new ATOM 0 HA ASP A 123 9.483 7.726 2.043 1.00 0.58 H new ATOM 0 HB2 ASP A 123 10.941 7.348 -0.020 1.00 0.80 H new ATOM 0 HB3 ASP A 123 9.836 8.368 -0.920 1.00 0.80 H new ATOM 1407 N ILE A 124 6.992 8.672 0.150 1.00 0.47 N ATOM 1408 CA ILE A 124 5.829 9.560 -0.014 1.00 0.45 C ATOM 1409 C ILE A 124 4.864 9.396 1.158 1.00 0.39 C ATOM 1410 O ILE A 124 4.423 10.383 1.747 1.00 0.40 O ATOM 1411 CB ILE A 124 5.134 9.276 -1.355 1.00 0.46 C ATOM 1412 CG1 ILE A 124 6.081 9.505 -2.545 1.00 0.52 C ATOM 1413 CG2 ILE A 124 3.852 10.111 -1.501 1.00 0.47 C ATOM 1414 CD1 ILE A 124 6.687 10.905 -2.684 1.00 1.15 C ATOM 0 H ILE A 124 6.959 7.868 -0.476 1.00 0.47 H new ATOM 0 HA ILE A 124 6.169 10.595 -0.021 1.00 0.45 H new ATOM 0 HB ILE A 124 4.853 8.223 -1.360 1.00 0.46 H new ATOM 0 HG12 ILE A 124 6.898 8.787 -2.473 1.00 0.52 H new ATOM 0 HG13 ILE A 124 5.537 9.278 -3.461 1.00 0.52 H new ATOM 0 HG21 ILE A 124 3.381 9.890 -2.459 1.00 0.47 H new ATOM 0 HG22 ILE A 124 3.163 9.865 -0.693 1.00 0.47 H new ATOM 0 HG23 ILE A 124 4.101 11.171 -1.455 1.00 0.47 H new ATOM 0 HD11 ILE A 124 7.335 10.936 -3.560 1.00 1.15 H new ATOM 0 HD12 ILE A 124 5.888 11.638 -2.797 1.00 1.15 H new ATOM 0 HD13 ILE A 124 7.270 11.139 -1.793 1.00 1.15 H new ATOM 1426 N LEU A 125 4.606 8.150 1.561 1.00 0.37 N ATOM 1427 CA LEU A 125 3.793 7.826 2.734 1.00 0.33 C ATOM 1428 C LEU A 125 4.331 8.511 4.004 1.00 0.35 C ATOM 1429 O LEU A 125 3.554 8.977 4.835 1.00 0.36 O ATOM 1430 CB LEU A 125 3.746 6.291 2.908 1.00 0.33 C ATOM 1431 CG LEU A 125 2.396 5.831 3.487 1.00 0.41 C ATOM 1432 CD1 LEU A 125 1.299 5.866 2.420 1.00 0.63 C ATOM 1433 CD2 LEU A 125 2.472 4.400 4.010 1.00 0.40 C ATOM 0 H LEU A 125 4.961 7.327 1.075 1.00 0.37 H new ATOM 0 HA LEU A 125 2.783 8.204 2.577 1.00 0.33 H new ATOM 0 HB2 LEU A 125 3.913 5.809 1.945 1.00 0.33 H new ATOM 0 HB3 LEU A 125 4.553 5.973 3.568 1.00 0.33 H new ATOM 0 HG LEU A 125 2.162 6.518 4.301 1.00 0.41 H new ATOM 0 HD11 LEU A 125 0.356 5.536 2.856 1.00 0.63 H new ATOM 0 HD12 LEU A 125 1.189 6.883 2.045 1.00 0.63 H new ATOM 0 HD13 LEU A 125 1.570 5.203 1.598 1.00 0.63 H new ATOM 0 HD21 LEU A 125 1.502 4.107 4.412 1.00 0.40 H new ATOM 0 HD22 LEU A 125 2.745 3.729 3.196 1.00 0.40 H new ATOM 0 HD23 LEU A 125 3.224 4.340 4.797 1.00 0.40 H new ATOM 1445 N LEU A 126 5.658 8.646 4.099 1.00 0.40 N ATOM 1446 CA LEU A 126 6.368 9.292 5.212 1.00 0.46 C ATOM 1447 C LEU A 126 6.181 10.820 5.238 1.00 0.51 C ATOM 1448 O LEU A 126 6.357 11.448 6.280 1.00 0.70 O ATOM 1449 CB LEU A 126 7.864 8.902 5.136 1.00 0.50 C ATOM 1450 CG LEU A 126 8.547 8.489 6.454 1.00 0.56 C ATOM 1451 CD1 LEU A 126 8.480 9.551 7.547 1.00 0.59 C ATOM 1452 CD2 LEU A 126 7.937 7.214 7.027 1.00 0.62 C ATOM 0 H LEU A 126 6.291 8.297 3.379 1.00 0.40 H new ATOM 0 HA LEU A 126 5.939 8.935 6.148 1.00 0.46 H new ATOM 0 HB2 LEU A 126 7.964 8.078 4.430 1.00 0.50 H new ATOM 0 HB3 LEU A 126 8.413 9.746 4.720 1.00 0.50 H new ATOM 0 HG LEU A 126 9.590 8.338 6.176 1.00 0.56 H new ATOM 0 HD11 LEU A 126 8.983 9.184 8.442 1.00 0.59 H new ATOM 0 HD12 LEU A 126 8.972 10.460 7.201 1.00 0.59 H new ATOM 0 HD13 LEU A 126 7.438 9.768 7.780 1.00 0.59 H new ATOM 0 HD21 LEU A 126 8.444 6.954 7.956 1.00 0.62 H new ATOM 0 HD22 LEU A 126 6.877 7.375 7.225 1.00 0.62 H new ATOM 0 HD23 LEU A 126 8.053 6.401 6.310 1.00 0.62 H new ATOM 1464 N GLN A 127 5.783 11.427 4.119 1.00 0.44 N ATOM 1465 CA GLN A 127 5.299 12.802 4.066 1.00 0.46 C ATOM 1466 C GLN A 127 3.806 12.859 4.421 1.00 0.42 C ATOM 1467 O GLN A 127 3.391 13.542 5.358 1.00 0.45 O ATOM 1468 CB GLN A 127 5.524 13.347 2.648 1.00 0.51 C ATOM 1469 CG GLN A 127 6.881 13.015 2.009 1.00 0.60 C ATOM 1470 CD GLN A 127 8.103 13.241 2.898 1.00 0.67 C ATOM 1471 OE1 GLN A 127 8.429 14.351 3.312 1.00 0.81 O ATOM 1472 NE2 GLN A 127 8.841 12.186 3.183 1.00 0.67 N ATOM 0 H GLN A 127 5.789 10.966 3.209 1.00 0.44 H new ATOM 0 HA GLN A 127 5.844 13.409 4.789 1.00 0.46 H new ATOM 0 HB2 GLN A 127 4.736 12.961 2.002 1.00 0.51 H new ATOM 0 HB3 GLN A 127 5.412 14.431 2.674 1.00 0.51 H new ATOM 0 HG2 GLN A 127 6.869 11.971 1.697 1.00 0.60 H new ATOM 0 HG3 GLN A 127 6.994 13.616 1.107 1.00 0.60 H new ATOM 0 HE21 GLN A 127 8.569 11.265 2.839 1.00 0.67 H new ATOM 0 HE22 GLN A 127 9.684 12.291 3.748 1.00 0.67 H new ATOM 1481 N MET A 128 2.988 12.082 3.703 1.00 0.38 N ATOM 1482 CA MET A 128 1.532 12.183 3.732 1.00 0.37 C ATOM 1483 C MET A 128 0.903 11.774 5.060 1.00 0.37 C ATOM 1484 O MET A 128 -0.149 12.303 5.419 1.00 0.41 O ATOM 1485 CB MET A 128 0.982 11.288 2.636 1.00 0.36 C ATOM 1486 CG MET A 128 1.318 11.805 1.242 1.00 0.40 C ATOM 1487 SD MET A 128 0.577 10.794 -0.050 1.00 0.45 S ATOM 1488 CE MET A 128 -1.151 11.207 0.247 1.00 0.52 C ATOM 0 H MET A 128 3.329 11.354 3.076 1.00 0.38 H new ATOM 0 HA MET A 128 1.280 13.233 3.586 1.00 0.37 H new ATOM 0 HB2 MET A 128 1.385 10.282 2.755 1.00 0.36 H new ATOM 0 HB3 MET A 128 -0.100 11.212 2.741 1.00 0.36 H new ATOM 0 HG2 MET A 128 0.969 12.833 1.143 1.00 0.40 H new ATOM 0 HG3 MET A 128 2.400 11.822 1.113 1.00 0.40 H new ATOM 0 HE1 MET A 128 -1.782 10.658 -0.452 1.00 0.52 H new ATOM 0 HE2 MET A 128 -1.420 10.936 1.268 1.00 0.52 H new ATOM 0 HE3 MET A 128 -1.299 12.278 0.105 1.00 0.52 H new ATOM 1498 N HIS A 129 1.555 10.874 5.801 1.00 0.35 N ATOM 1499 CA HIS A 129 1.182 10.539 7.187 1.00 0.35 C ATOM 1500 C HIS A 129 1.114 11.782 8.059 1.00 0.42 C ATOM 1501 O HIS A 129 0.206 11.989 8.862 1.00 0.43 O ATOM 1502 CB HIS A 129 2.272 9.664 7.806 1.00 0.37 C ATOM 1503 CG HIS A 129 1.960 9.129 9.177 1.00 0.37 C ATOM 1504 ND1 HIS A 129 0.799 8.548 9.640 1.00 0.34 N ATOM 1505 CD2 HIS A 129 2.826 9.174 10.226 1.00 0.46 C ATOM 1506 CE1 HIS A 129 1.002 8.195 10.919 1.00 0.40 C ATOM 1507 NE2 HIS A 129 2.226 8.563 11.331 1.00 0.48 N ATOM 0 H HIS A 129 2.362 10.352 5.459 1.00 0.35 H new ATOM 0 HA HIS A 129 0.213 10.042 7.147 1.00 0.35 H new ATOM 0 HB2 HIS A 129 2.463 8.823 7.140 1.00 0.37 H new ATOM 0 HB3 HIS A 129 3.194 10.243 7.860 1.00 0.37 H new ATOM 0 HD2 HIS A 129 3.814 9.610 10.208 1.00 0.46 H new ATOM 0 HE1 HIS A 129 0.277 7.683 11.535 1.00 0.40 H new ATOM 0 HE2 HIS A 129 2.633 8.426 12.256 1.00 0.48 H new ATOM 1515 N GLN A 130 2.164 12.572 7.903 1.00 0.49 N ATOM 1516 CA GLN A 130 2.601 13.567 8.848 1.00 0.60 C ATOM 1517 C GLN A 130 1.966 14.930 8.503 1.00 0.67 C ATOM 1518 O GLN A 130 1.675 15.733 9.389 1.00 0.83 O ATOM 1519 CB GLN A 130 4.130 13.501 8.863 1.00 0.67 C ATOM 1520 CG GLN A 130 4.669 12.088 9.074 1.00 0.65 C ATOM 1521 CD GLN A 130 6.015 12.064 9.787 1.00 0.80 C ATOM 1522 OE1 GLN A 130 6.109 12.084 11.008 1.00 1.12 O ATOM 1523 NE2 GLN A 130 7.103 12.043 9.058 1.00 0.78 N ATOM 0 H GLN A 130 2.757 12.529 7.074 1.00 0.49 H new ATOM 0 HA GLN A 130 2.267 13.391 9.871 1.00 0.60 H new ATOM 0 HB2 GLN A 130 4.513 13.892 7.921 1.00 0.67 H new ATOM 0 HB3 GLN A 130 4.507 14.149 9.654 1.00 0.67 H new ATOM 0 HG2 GLN A 130 3.947 11.513 9.653 1.00 0.65 H new ATOM 0 HG3 GLN A 130 4.768 11.595 8.107 1.00 0.65 H new ATOM 0 HE21 GLN A 130 7.035 12.026 8.040 1.00 0.78 H new ATOM 0 HE22 GLN A 130 8.018 12.043 9.508 1.00 0.78 H new ATOM 1532 N ASN A 131 1.636 15.123 7.220 1.00 0.62 N ATOM 1533 CA ASN A 131 0.699 16.106 6.701 1.00 0.70 C ATOM 1534 C ASN A 131 -0.782 15.754 6.989 1.00 0.68 C ATOM 1535 O ASN A 131 -1.574 16.654 7.256 1.00 0.78 O ATOM 1536 CB ASN A 131 0.990 16.147 5.212 1.00 0.84 C ATOM 1537 CG ASN A 131 0.317 17.277 4.481 1.00 0.91 C ATOM 1538 OD1 ASN A 131 -0.099 18.296 5.020 1.00 2.10 O ATOM 1539 ND2 ASN A 131 0.230 17.125 3.195 1.00 1.09 N ATOM 0 H ASN A 131 2.046 14.558 6.477 1.00 0.62 H new ATOM 0 HA ASN A 131 0.831 17.074 7.185 1.00 0.70 H new ATOM 0 HB2 ASN A 131 2.067 16.226 5.066 1.00 0.84 H new ATOM 0 HB3 ASN A 131 0.676 15.203 4.766 1.00 0.84 H new ATOM 0 HD21 ASN A 131 -0.188 17.858 2.622 1.00 1.09 H new ATOM 0 HD22 ASN A 131 0.580 16.273 2.757 1.00 1.09 H new ATOM 1546 N GLY A 132 -1.160 14.465 6.991 1.00 0.59 N ATOM 1547 CA GLY A 132 -2.533 14.007 7.273 1.00 0.58 C ATOM 1548 C GLY A 132 -3.378 13.815 6.008 1.00 0.57 C ATOM 1549 O GLY A 132 -4.604 13.781 6.052 1.00 0.58 O ATOM 0 H GLY A 132 -0.513 13.701 6.794 1.00 0.59 H new ATOM 0 HA2 GLY A 132 -2.490 13.065 7.820 1.00 0.58 H new ATOM 0 HA3 GLY A 132 -3.024 14.731 7.924 1.00 0.58 H new ATOM 1553 N ASP A 133 -2.740 13.676 4.849 1.00 0.60 N ATOM 1554 CA ASP A 133 -3.392 13.491 3.543 1.00 0.59 C ATOM 1555 C ASP A 133 -3.851 12.042 3.308 1.00 0.56 C ATOM 1556 O ASP A 133 -4.648 11.772 2.413 1.00 0.62 O ATOM 1557 CB ASP A 133 -2.394 13.939 2.473 1.00 0.63 C ATOM 1558 CG ASP A 133 -3.061 14.614 1.265 1.00 1.44 C ATOM 1559 OD1 ASP A 133 -3.701 15.681 1.425 1.00 1.82 O ATOM 1560 OD2 ASP A 133 -2.974 14.080 0.134 1.00 2.84 O ATOM 0 H ASP A 133 -1.722 13.689 4.784 1.00 0.60 H new ATOM 0 HA ASP A 133 -4.302 14.089 3.502 1.00 0.59 H new ATOM 0 HB2 ASP A 133 -1.680 14.631 2.919 1.00 0.63 H new ATOM 0 HB3 ASP A 133 -1.827 13.074 2.130 1.00 0.63 H new ATOM 1565 N LEU A 134 -3.377 11.117 4.151 1.00 0.50 N ATOM 1566 CA LEU A 134 -3.826 9.707 4.157 1.00 0.47 C ATOM 1567 C LEU A 134 -5.214 9.575 4.791 1.00 0.51 C ATOM 1568 O LEU A 134 -5.963 8.636 4.547 1.00 0.55 O ATOM 1569 CB LEU A 134 -2.849 8.831 4.972 1.00 0.40 C ATOM 1570 CG LEU A 134 -1.379 8.858 4.535 1.00 0.34 C ATOM 1571 CD1 LEU A 134 -0.555 7.897 5.393 1.00 0.31 C ATOM 1572 CD2 LEU A 134 -1.200 8.469 3.073 1.00 0.38 C ATOM 0 H LEU A 134 -2.667 11.320 4.855 1.00 0.50 H new ATOM 0 HA LEU A 134 -3.859 9.375 3.119 1.00 0.47 H new ATOM 0 HB2 LEU A 134 -2.901 9.142 6.015 1.00 0.40 H new ATOM 0 HB3 LEU A 134 -3.199 7.800 4.929 1.00 0.40 H new ATOM 0 HG LEU A 134 -1.035 9.884 4.664 1.00 0.34 H new ATOM 0 HD11 LEU A 134 0.487 7.925 5.073 1.00 0.31 H new ATOM 0 HD12 LEU A 134 -0.621 8.195 6.439 1.00 0.31 H new ATOM 0 HD13 LEU A 134 -0.942 6.884 5.279 1.00 0.31 H new ATOM 0 HD21 LEU A 134 -0.142 8.504 2.814 1.00 0.38 H new ATOM 0 HD22 LEU A 134 -1.579 7.459 2.916 1.00 0.38 H new ATOM 0 HD23 LEU A 134 -1.751 9.165 2.441 1.00 0.38 H new ATOM 1584 N VAL A 135 -5.540 10.544 5.635 1.00 0.53 N ATOM 1585 CA VAL A 135 -6.723 10.581 6.483 1.00 0.56 C ATOM 1586 C VAL A 135 -7.946 10.949 5.646 1.00 0.67 C ATOM 1587 O VAL A 135 -8.998 10.335 5.789 1.00 0.74 O ATOM 1588 CB VAL A 135 -6.463 11.587 7.604 1.00 0.57 C ATOM 1589 CG1 VAL A 135 -7.411 11.352 8.750 1.00 0.62 C ATOM 1590 CG2 VAL A 135 -5.110 11.300 8.248 1.00 0.51 C ATOM 0 H VAL A 135 -4.954 11.371 5.753 1.00 0.53 H new ATOM 0 HA VAL A 135 -6.926 9.606 6.926 1.00 0.56 H new ATOM 0 HB VAL A 135 -6.549 12.578 7.159 1.00 0.57 H new ATOM 0 HG11 VAL A 135 -7.213 12.076 9.540 1.00 0.62 H new ATOM 0 HG12 VAL A 135 -8.438 11.466 8.402 1.00 0.62 H new ATOM 0 HG13 VAL A 135 -7.269 10.343 9.138 1.00 0.62 H new ATOM 0 HG21 VAL A 135 -4.927 12.019 9.047 1.00 0.51 H new ATOM 0 HG22 VAL A 135 -5.110 10.291 8.661 1.00 0.51 H new ATOM 0 HG23 VAL A 135 -4.324 11.385 7.497 1.00 0.51 H new ATOM 1600 N GLU A 136 -7.754 11.851 4.680 1.00 0.74 N ATOM 1601 CA GLU A 136 -8.721 12.215 3.637 1.00 0.86 C ATOM 1602 C GLU A 136 -9.067 11.013 2.748 1.00 0.89 C ATOM 1603 O GLU A 136 -10.226 10.801 2.394 1.00 0.94 O ATOM 1604 CB GLU A 136 -8.097 13.299 2.732 1.00 1.11 C ATOM 1605 CG GLU A 136 -7.637 14.572 3.448 1.00 1.35 C ATOM 1606 CD GLU A 136 -8.808 15.458 3.881 1.00 1.82 C ATOM 1607 OE1 GLU A 136 -9.580 15.057 4.781 1.00 2.38 O ATOM 1608 OE2 GLU A 136 -8.966 16.576 3.335 1.00 2.84 O ATOM 0 H GLU A 136 -6.881 12.372 4.599 1.00 0.74 H new ATOM 0 HA GLU A 136 -9.626 12.571 4.129 1.00 0.86 H new ATOM 0 HB2 GLU A 136 -7.242 12.866 2.213 1.00 1.11 H new ATOM 0 HB3 GLU A 136 -8.826 13.575 1.970 1.00 1.11 H new ATOM 0 HG2 GLU A 136 -7.049 14.300 4.324 1.00 1.35 H new ATOM 0 HG3 GLU A 136 -6.981 15.139 2.788 1.00 1.35 H new ATOM 1615 N GLU A 137 -8.054 10.212 2.413 1.00 0.91 N ATOM 1616 CA GLU A 137 -8.193 8.964 1.656 1.00 0.98 C ATOM 1617 C GLU A 137 -8.957 7.879 2.425 1.00 0.92 C ATOM 1618 O GLU A 137 -9.829 7.219 1.854 1.00 1.02 O ATOM 1619 CB GLU A 137 -6.808 8.448 1.253 1.00 1.02 C ATOM 1620 CG GLU A 137 -6.220 9.106 0.003 1.00 0.81 C ATOM 1621 CD GLU A 137 -7.105 9.017 -1.248 1.00 0.94 C ATOM 1622 OE1 GLU A 137 -7.926 8.084 -1.394 1.00 2.32 O ATOM 1623 OE2 GLU A 137 -7.039 9.935 -2.098 1.00 1.38 O ATOM 0 H GLU A 137 -7.088 10.418 2.667 1.00 0.91 H new ATOM 0 HA GLU A 137 -8.782 9.191 0.768 1.00 0.98 H new ATOM 0 HB2 GLU A 137 -6.121 8.602 2.085 1.00 1.02 H new ATOM 0 HB3 GLU A 137 -6.870 7.373 1.086 1.00 1.02 H new ATOM 0 HG2 GLU A 137 -6.026 10.156 0.220 1.00 0.81 H new ATOM 0 HG3 GLU A 137 -5.258 8.643 -0.216 1.00 0.81 H new ATOM 1630 N LEU A 138 -8.679 7.728 3.722 1.00 0.79 N ATOM 1631 CA LEU A 138 -9.466 6.874 4.616 1.00 0.73 C ATOM 1632 C LEU A 138 -10.926 7.364 4.732 1.00 0.71 C ATOM 1633 O LEU A 138 -11.848 6.559 4.583 1.00 0.73 O ATOM 1634 CB LEU A 138 -8.757 6.792 5.983 1.00 0.61 C ATOM 1635 CG LEU A 138 -7.458 5.959 5.993 1.00 0.57 C ATOM 1636 CD1 LEU A 138 -6.727 6.158 7.323 1.00 0.51 C ATOM 1637 CD2 LEU A 138 -7.718 4.461 5.826 1.00 0.63 C ATOM 0 H LEU A 138 -7.899 8.196 4.184 1.00 0.79 H new ATOM 0 HA LEU A 138 -9.527 5.869 4.199 1.00 0.73 H new ATOM 0 HB2 LEU A 138 -8.525 7.803 6.317 1.00 0.61 H new ATOM 0 HB3 LEU A 138 -9.449 6.367 6.710 1.00 0.61 H new ATOM 0 HG LEU A 138 -6.860 6.305 5.150 1.00 0.57 H new ATOM 0 HD11 LEU A 138 -5.810 5.568 7.326 1.00 0.51 H new ATOM 0 HD12 LEU A 138 -6.481 7.212 7.449 1.00 0.51 H new ATOM 0 HD13 LEU A 138 -7.369 5.835 8.143 1.00 0.51 H new ATOM 0 HD21 LEU A 138 -6.770 3.923 5.840 1.00 0.63 H new ATOM 0 HD22 LEU A 138 -8.348 4.108 6.643 1.00 0.63 H new ATOM 0 HD23 LEU A 138 -8.222 4.283 4.876 1.00 0.63 H new ATOM 1649 N LYS A 139 -11.163 8.676 4.901 1.00 0.71 N ATOM 1650 CA LYS A 139 -12.519 9.257 4.998 1.00 0.77 C ATOM 1651 C LYS A 139 -13.364 9.062 3.727 1.00 0.84 C ATOM 1652 O LYS A 139 -14.560 8.814 3.860 1.00 0.90 O ATOM 1653 CB LYS A 139 -12.446 10.742 5.411 1.00 0.85 C ATOM 1654 CG LYS A 139 -12.012 10.935 6.876 1.00 0.94 C ATOM 1655 CD LYS A 139 -11.836 12.417 7.222 1.00 0.75 C ATOM 1656 CE LYS A 139 -11.211 12.641 8.607 1.00 0.85 C ATOM 1657 NZ LYS A 139 -11.137 14.096 8.901 1.00 0.99 N ATOM 0 H LYS A 139 -10.418 9.369 4.975 1.00 0.71 H new ATOM 0 HA LYS A 139 -13.039 8.703 5.779 1.00 0.77 H new ATOM 0 HB2 LYS A 139 -11.745 11.262 4.758 1.00 0.85 H new ATOM 0 HB3 LYS A 139 -13.422 11.204 5.262 1.00 0.85 H new ATOM 0 HG2 LYS A 139 -12.756 10.492 7.538 1.00 0.94 H new ATOM 0 HG3 LYS A 139 -11.075 10.406 7.051 1.00 0.94 H new ATOM 0 HD2 LYS A 139 -11.208 12.889 6.466 1.00 0.75 H new ATOM 0 HD3 LYS A 139 -12.807 12.911 7.184 1.00 0.75 H new ATOM 0 HE2 LYS A 139 -11.805 12.137 9.369 1.00 0.85 H new ATOM 0 HE3 LYS A 139 -10.213 12.204 8.640 1.00 0.85 H new ATOM 0 HZ1 LYS A 139 -10.713 14.239 9.840 1.00 0.99 H new ATOM 0 HZ2 LYS A 139 -10.552 14.566 8.181 1.00 0.99 H new ATOM 0 HZ3 LYS A 139 -12.094 14.502 8.888 1.00 0.99 H new ATOM 1671 N LYS A 140 -12.783 9.054 2.515 1.00 0.86 N ATOM 1672 CA LYS A 140 -13.482 8.730 1.248 1.00 0.93 C ATOM 1673 C LYS A 140 -14.112 7.332 1.252 1.00 0.94 C ATOM 1674 O LYS A 140 -15.212 7.143 0.736 1.00 1.06 O ATOM 1675 CB LYS A 140 -12.500 8.857 0.075 1.00 1.12 C ATOM 1676 CG LYS A 140 -12.194 10.317 -0.288 1.00 1.22 C ATOM 1677 CD LYS A 140 -10.942 10.497 -1.161 1.00 1.32 C ATOM 1678 CE LYS A 140 -10.934 9.591 -2.397 1.00 2.77 C ATOM 1679 NZ LYS A 140 -9.670 9.725 -3.155 1.00 2.89 N ATOM 0 H LYS A 140 -11.797 9.276 2.380 1.00 0.86 H new ATOM 0 HA LYS A 140 -14.300 9.443 1.140 1.00 0.93 H new ATOM 0 HB2 LYS A 140 -11.570 8.348 0.328 1.00 1.12 H new ATOM 0 HB3 LYS A 140 -12.914 8.350 -0.796 1.00 1.12 H new ATOM 0 HG2 LYS A 140 -13.053 10.738 -0.812 1.00 1.22 H new ATOM 0 HG3 LYS A 140 -12.069 10.890 0.631 1.00 1.22 H new ATOM 0 HD2 LYS A 140 -10.876 11.537 -1.480 1.00 1.32 H new ATOM 0 HD3 LYS A 140 -10.056 10.291 -0.561 1.00 1.32 H new ATOM 0 HE2 LYS A 140 -11.068 8.554 -2.091 1.00 2.77 H new ATOM 0 HE3 LYS A 140 -11.776 9.845 -3.042 1.00 2.77 H new ATOM 0 HZ1 LYS A 140 -9.348 8.785 -3.462 1.00 2.89 H new ATOM 0 HZ2 LYS A 140 -9.827 10.326 -3.989 1.00 2.89 H new ATOM 0 HZ3 LYS A 140 -8.945 10.158 -2.548 1.00 2.89 H new ATOM 1693 N LEU A 141 -13.444 6.358 1.874 1.00 0.89 N ATOM 1694 CA LEU A 141 -13.925 5.002 2.082 1.00 0.90 C ATOM 1695 C LEU A 141 -14.839 4.822 3.309 1.00 0.88 C ATOM 1696 O LEU A 141 -15.303 3.709 3.570 1.00 0.97 O ATOM 1697 CB LEU A 141 -12.684 4.107 2.158 1.00 0.88 C ATOM 1698 CG LEU A 141 -11.998 3.855 0.805 1.00 0.71 C ATOM 1699 CD1 LEU A 141 -10.778 2.961 0.992 1.00 1.94 C ATOM 1700 CD2 LEU A 141 -12.947 3.160 -0.165 1.00 2.65 C ATOM 0 H LEU A 141 -12.512 6.506 2.261 1.00 0.89 H new ATOM 0 HA LEU A 141 -14.573 4.728 1.250 1.00 0.90 H new ATOM 0 HB2 LEU A 141 -11.964 4.563 2.837 1.00 0.88 H new ATOM 0 HB3 LEU A 141 -12.969 3.148 2.591 1.00 0.88 H new ATOM 0 HG LEU A 141 -11.703 4.823 0.401 1.00 0.71 H new ATOM 0 HD11 LEU A 141 -10.301 2.790 0.027 1.00 1.94 H new ATOM 0 HD12 LEU A 141 -10.071 3.446 1.665 1.00 1.94 H new ATOM 0 HD13 LEU A 141 -11.088 2.007 1.418 1.00 1.94 H new ATOM 0 HD21 LEU A 141 -12.439 2.993 -1.115 1.00 2.65 H new ATOM 0 HD22 LEU A 141 -13.258 2.203 0.253 1.00 2.65 H new ATOM 0 HD23 LEU A 141 -13.824 3.787 -0.328 1.00 2.65 H new ATOM 1712 N GLY A 142 -15.087 5.886 4.077 1.00 0.84 N ATOM 1713 CA GLY A 142 -15.809 5.816 5.348 1.00 0.86 C ATOM 1714 C GLY A 142 -14.990 5.182 6.480 1.00 0.88 C ATOM 1715 O GLY A 142 -15.579 4.698 7.450 1.00 1.22 O ATOM 0 H GLY A 142 -14.789 6.830 3.830 1.00 0.84 H new ATOM 0 HA2 GLY A 142 -16.107 6.822 5.644 1.00 0.86 H new ATOM 0 HA3 GLY A 142 -16.724 5.242 5.206 1.00 0.86 H new ATOM 1719 N ILE A 143 -13.653 5.148 6.358 1.00 0.62 N ATOM 1720 CA ILE A 143 -12.743 4.633 7.387 1.00 0.56 C ATOM 1721 C ILE A 143 -12.288 5.743 8.339 1.00 0.53 C ATOM 1722 O ILE A 143 -11.779 6.794 7.940 1.00 0.56 O ATOM 1723 CB ILE A 143 -11.520 3.873 6.822 1.00 0.55 C ATOM 1724 CG1 ILE A 143 -11.914 2.797 5.788 1.00 0.55 C ATOM 1725 CG2 ILE A 143 -10.795 3.245 8.033 1.00 0.63 C ATOM 1726 CD1 ILE A 143 -10.730 2.190 5.008 1.00 0.56 C ATOM 0 H ILE A 143 -13.168 5.484 5.526 1.00 0.62 H new ATOM 0 HA ILE A 143 -13.328 3.901 7.944 1.00 0.56 H new ATOM 0 HB ILE A 143 -10.871 4.562 6.282 1.00 0.55 H new ATOM 0 HG12 ILE A 143 -12.443 1.994 6.302 1.00 0.55 H new ATOM 0 HG13 ILE A 143 -12.614 3.235 5.077 1.00 0.55 H new ATOM 0 HG21 ILE A 143 -9.920 2.694 7.688 1.00 0.63 H new ATOM 0 HG22 ILE A 143 -10.481 4.033 8.718 1.00 0.63 H new ATOM 0 HG23 ILE A 143 -11.472 2.564 8.549 1.00 0.63 H new ATOM 0 HD11 ILE A 143 -11.101 1.444 4.305 1.00 0.56 H new ATOM 0 HD12 ILE A 143 -10.212 2.978 4.461 1.00 0.56 H new ATOM 0 HD13 ILE A 143 -10.038 1.718 5.706 1.00 0.56 H new ATOM 1738 N HIS A 144 -12.393 5.432 9.623 1.00 0.54 N ATOM 1739 CA HIS A 144 -11.903 6.200 10.759 1.00 0.56 C ATOM 1740 C HIS A 144 -10.427 5.912 11.049 1.00 0.54 C ATOM 1741 O HIS A 144 -10.075 4.831 11.542 1.00 0.59 O ATOM 1742 CB HIS A 144 -12.783 5.800 11.943 1.00 0.69 C ATOM 1743 CG HIS A 144 -12.695 6.704 13.148 1.00 0.87 C ATOM 1744 ND1 HIS A 144 -13.310 7.925 13.301 1.00 1.05 N ATOM 1745 CD2 HIS A 144 -12.058 6.428 14.329 1.00 1.08 C ATOM 1746 CE1 HIS A 144 -13.058 8.373 14.541 1.00 1.24 C ATOM 1747 NE2 HIS A 144 -12.306 7.485 15.216 1.00 1.25 N ATOM 0 H HIS A 144 -12.857 4.573 9.920 1.00 0.54 H new ATOM 0 HA HIS A 144 -11.959 7.270 10.558 1.00 0.56 H new ATOM 0 HB2 HIS A 144 -13.820 5.768 11.609 1.00 0.69 H new ATOM 0 HB3 HIS A 144 -12.515 4.789 12.248 1.00 0.69 H new ATOM 0 HD2 HIS A 144 -11.467 5.549 14.540 1.00 1.08 H new ATOM 0 HE1 HIS A 144 -13.409 9.313 14.940 1.00 1.24 H new ATOM 0 HE2 HIS A 144 -11.981 7.565 16.180 1.00 1.25 H new ATOM 1755 N SER A 145 -9.553 6.884 10.787 1.00 0.51 N ATOM 1756 CA SER A 145 -8.217 6.900 11.367 1.00 0.49 C ATOM 1757 C SER A 145 -8.294 6.921 12.905 1.00 0.49 C ATOM 1758 O SER A 145 -9.115 7.597 13.506 1.00 0.72 O ATOM 1759 CB SER A 145 -7.424 8.075 10.782 1.00 0.52 C ATOM 1760 OG SER A 145 -6.410 8.495 11.674 1.00 0.49 O ATOM 0 H SER A 145 -9.752 7.674 10.173 1.00 0.51 H new ATOM 0 HA SER A 145 -7.682 5.987 11.107 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.979 7.781 9.832 1.00 0.52 H new ATOM 0 HB3 SER A 145 -8.098 8.906 10.574 1.00 0.52 H new ATOM 0 HG SER A 145 -5.533 8.259 11.307 1.00 0.49 H new ATOM 1766 N ALA A 146 -7.408 6.189 13.565 1.00 0.45 N ATOM 1767 CA ALA A 146 -7.312 6.109 15.023 1.00 0.49 C ATOM 1768 C ALA A 146 -6.615 7.335 15.654 1.00 0.51 C ATOM 1769 O ALA A 146 -6.581 7.455 16.882 1.00 0.76 O ATOM 1770 CB ALA A 146 -6.623 4.788 15.385 1.00 0.52 C ATOM 0 H ALA A 146 -6.712 5.615 13.089 1.00 0.45 H new ATOM 0 HA ALA A 146 -8.316 6.125 15.446 1.00 0.49 H new ATOM 0 HB1 ALA A 146 -6.540 4.706 16.469 1.00 0.52 H new ATOM 0 HB2 ALA A 146 -7.211 3.954 15.002 1.00 0.52 H new ATOM 0 HB3 ALA A 146 -5.627 4.764 14.942 1.00 0.52 H new ATOM 1776 N LEU A 147 -6.072 8.252 14.838 1.00 0.39 N ATOM 1777 CA LEU A 147 -5.421 9.491 15.229 1.00 0.46 C ATOM 1778 C LEU A 147 -6.380 10.697 15.273 1.00 0.55 C ATOM 1779 O LEU A 147 -5.970 11.802 15.629 1.00 0.77 O ATOM 1780 CB LEU A 147 -4.298 9.730 14.212 1.00 0.42 C ATOM 1781 CG LEU A 147 -3.302 8.591 13.939 1.00 0.42 C ATOM 1782 CD1 LEU A 147 -2.092 9.126 13.175 1.00 0.46 C ATOM 1783 CD2 LEU A 147 -2.804 7.940 15.220 1.00 0.47 C ATOM 0 H LEU A 147 -6.082 8.131 13.825 1.00 0.39 H new ATOM 0 HA LEU A 147 -5.041 9.395 16.246 1.00 0.46 H new ATOM 0 HB2 LEU A 147 -4.762 10.000 13.263 1.00 0.42 H new ATOM 0 HB3 LEU A 147 -3.727 10.597 14.546 1.00 0.42 H new ATOM 0 HG LEU A 147 -3.834 7.843 13.352 1.00 0.42 H new ATOM 0 HD11 LEU A 147 -1.392 8.312 12.986 1.00 0.46 H new ATOM 0 HD12 LEU A 147 -2.420 9.550 12.226 1.00 0.46 H new ATOM 0 HD13 LEU A 147 -1.600 9.898 13.767 1.00 0.46 H new ATOM 0 HD21 LEU A 147 -2.103 7.142 14.974 1.00 0.47 H new ATOM 0 HD22 LEU A 147 -2.302 8.686 15.836 1.00 0.47 H new ATOM 0 HD23 LEU A 147 -3.649 7.525 15.769 1.00 0.47 H new ATOM 1795 N LEU A 148 -7.650 10.492 14.903 1.00 0.51 N ATOM 1796 CA LEU A 148 -8.686 11.503 14.695 1.00 0.70 C ATOM 1797 C LEU A 148 -8.964 12.434 15.886 1.00 1.14 C ATOM 1798 O LEU A 148 -9.607 13.477 15.738 1.00 1.51 O ATOM 1799 CB LEU A 148 -9.980 10.754 14.314 1.00 0.64 C ATOM 1800 CG LEU A 148 -10.421 11.121 12.883 1.00 0.95 C ATOM 1801 CD1 LEU A 148 -10.104 10.002 11.932 1.00 2.17 C ATOM 1802 CD2 LEU A 148 -11.890 11.510 12.782 1.00 2.25 C ATOM 0 H LEU A 148 -8.002 9.550 14.730 1.00 0.51 H new ATOM 0 HA LEU A 148 -8.323 12.170 13.913 1.00 0.70 H new ATOM 0 HB2 LEU A 148 -9.818 9.678 14.385 1.00 0.64 H new ATOM 0 HB3 LEU A 148 -10.772 11.004 15.020 1.00 0.64 H new ATOM 0 HG LEU A 148 -9.851 12.007 12.604 1.00 0.95 H new ATOM 0 HD11 LEU A 148 -10.422 10.278 10.927 1.00 2.17 H new ATOM 0 HD12 LEU A 148 -9.030 9.816 11.935 1.00 2.17 H new ATOM 0 HD13 LEU A 148 -10.630 9.100 12.244 1.00 2.17 H new ATOM 0 HD21 LEU A 148 -12.131 11.756 11.748 1.00 2.25 H new ATOM 0 HD22 LEU A 148 -12.511 10.677 13.111 1.00 2.25 H new ATOM 0 HD23 LEU A 148 -12.081 12.377 13.415 1.00 2.25 H new ATOM 1814 N ASP A 149 -8.528 12.049 17.082 1.00 1.50 N ATOM 1815 CA ASP A 149 -8.736 12.790 18.329 1.00 2.24 C ATOM 1816 C ASP A 149 -7.461 13.092 19.129 1.00 2.47 C ATOM 1817 O ASP A 149 -7.510 13.463 20.304 1.00 3.14 O ATOM 1818 CB ASP A 149 -9.815 12.061 19.135 1.00 2.66 C ATOM 1819 CG ASP A 149 -10.572 13.019 20.046 1.00 3.56 C ATOM 1820 OD1 ASP A 149 -11.246 13.928 19.511 1.00 4.19 O ATOM 1821 OD2 ASP A 149 -10.545 12.843 21.288 1.00 4.11 O ATOM 0 H ASP A 149 -8.003 11.185 17.218 1.00 1.50 H new ATOM 0 HA ASP A 149 -9.079 13.794 18.078 1.00 2.24 H new ATOM 0 HB2 ASP A 149 -10.514 11.576 18.454 1.00 2.66 H new ATOM 0 HB3 ASP A 149 -9.355 11.275 19.733 1.00 2.66 H new ATOM 1826 N GLU A 150 -6.311 12.952 18.476 1.00 2.11 N ATOM 1827 CA GLU A 150 -4.972 12.954 19.060 1.00 2.35 C ATOM 1828 C GLU A 150 -4.185 14.248 18.814 1.00 3.14 C ATOM 1829 O GLU A 150 -4.205 15.096 19.733 1.00 3.51 O ATOM 1830 CB GLU A 150 -4.275 11.674 18.577 1.00 2.21 C ATOM 1831 CG GLU A 150 -3.024 11.430 19.406 1.00 2.70 C ATOM 1832 CD GLU A 150 -2.478 10.010 19.220 1.00 3.17 C ATOM 1833 OE1 GLU A 150 -3.063 9.057 19.792 1.00 3.83 O ATOM 1834 OE2 GLU A 150 -1.407 9.846 18.585 1.00 3.79 O ATOM 0 H GLU A 150 -6.287 12.827 17.464 1.00 2.11 H new ATOM 0 HA GLU A 150 -5.035 12.944 20.148 1.00 2.35 H new ATOM 0 HB2 GLU A 150 -4.952 10.824 18.664 1.00 2.21 H new ATOM 0 HB3 GLU A 150 -4.013 11.766 17.523 1.00 2.21 H new ATOM 0 HG2 GLU A 150 -2.257 12.152 19.126 1.00 2.70 H new ATOM 0 HG3 GLU A 150 -3.249 11.596 20.459 1.00 2.70 H new TER 1841 GLU A 150