USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1075 hydrogens (27 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 146:sc= 1.11 USER MOD Set 1.2: A 97 THR OG1 : rot 122:sc= 2.23 USER MOD Set 2.1: A 57 CYS SG : rot 24:sc= 0.441 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -1 K(o=-0.56,f=-2.3) USER MOD Set 3.1: A 54 SER OG : rot 137:sc= 0.00385 USER MOD Set 3.2: A 90 GLN : amide:sc=0.000196 X(o=0.004,f=-0.34) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.737 K(o=0.74,f=-5.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot -16:sc= -0.551 USER MOD Single : A 59 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.2) USER MOD Single : A 63 GLN : amide:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.176 K(o=-0.18,f=-2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 72 SER OG : rot 180:sc= 0.109 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.933 K(o=-0.93,f=-2) USER MOD Single : A 81 THR OG1 : rot 91:sc= 0.0411 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -37:sc= -1.45! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0.873 K(o=0.87,f=-0.24) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 37:sc= 0.454 USER MOD Single : A 124 ASN : amide:sc= -0.921 X(o=-0.92,f=-0.92) USER MOD Single : A 125 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.1) USER MOD Single : A 126 SER OG : rot 180:sc= -0.142 USER MOD Single : A 127 GLN : amide:sc= -0.0483 K(o=-0.048,f=-0.67) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -2.596 12.285 6.560 1.00 15.21 N ATOM 2 CA GLY A 2 -2.757 12.832 7.895 1.00 32.00 C ATOM 3 C GLY A 2 -2.428 11.823 8.978 1.00 72.00 C ATOM 4 O GLY A 2 -1.264 11.484 9.187 1.00 3.13 O ATOM 0 HA2 GLY A 2 -2.113 13.704 8.007 1.00 32.00 H new ATOM 0 HA3 GLY A 2 -3.784 13.176 8.022 1.00 32.00 H new ATOM 8 N ALA A 3 -3.457 11.343 9.669 1.00 74.41 N ATOM 9 CA ALA A 3 -3.271 10.367 10.735 1.00 33.43 C ATOM 10 C ALA A 3 -4.354 9.292 10.691 1.00 3.33 C ATOM 11 O ALA A 3 -5.532 9.594 10.502 1.00 21.42 O ATOM 12 CB ALA A 3 -3.268 11.059 12.090 1.00 2.24 C ATOM 0 H ALA A 3 -4.427 11.614 9.509 1.00 74.41 H new ATOM 0 HA ALA A 3 -2.307 9.882 10.585 1.00 33.43 H new ATOM 0 HB1 ALA A 3 -3.128 10.318 12.877 1.00 2.24 H new ATOM 0 HB2 ALA A 3 -2.455 11.784 12.126 1.00 2.24 H new ATOM 0 HB3 ALA A 3 -4.218 11.571 12.239 1.00 2.24 H new ATOM 18 N ARG A 4 -3.945 8.040 10.866 1.00 42.23 N ATOM 19 CA ARG A 4 -4.880 6.921 10.843 1.00 1.24 C ATOM 20 C ARG A 4 -5.432 6.702 9.438 1.00 3.10 C ATOM 21 O ARG A 4 -5.034 5.767 8.744 1.00 45.24 O ATOM 22 CB ARG A 4 -6.030 7.171 11.822 1.00 60.45 C ATOM 23 CG ARG A 4 -6.069 6.187 12.979 1.00 4.24 C ATOM 24 CD ARG A 4 -7.475 6.040 13.539 1.00 61.15 C ATOM 25 NE ARG A 4 -7.508 5.179 14.717 1.00 22.30 N ATOM 26 CZ ARG A 4 -7.146 5.580 15.931 1.00 72.12 C ATOM 27 NH1 ARG A 4 -6.728 6.822 16.124 1.00 4.35 N ATOM 28 NH2 ARG A 4 -7.204 4.737 16.954 1.00 21.21 N ATOM 0 H ARG A 4 -2.973 7.775 11.025 1.00 42.23 H new ATOM 0 HA ARG A 4 -4.342 6.023 11.146 1.00 1.24 H new ATOM 0 HB2 ARG A 4 -5.945 8.183 12.219 1.00 60.45 H new ATOM 0 HB3 ARG A 4 -6.975 7.120 11.281 1.00 60.45 H new ATOM 0 HG2 ARG A 4 -5.706 5.215 12.644 1.00 4.24 H new ATOM 0 HG3 ARG A 4 -5.396 6.524 13.767 1.00 4.24 H new ATOM 0 HD2 ARG A 4 -7.867 7.024 13.798 1.00 61.15 H new ATOM 0 HD3 ARG A 4 -8.130 5.628 12.771 1.00 61.15 H new ATOM 0 HE ARG A 4 -7.826 4.217 14.602 1.00 22.30 H new ATOM 0 HH11 ARG A 4 -6.684 7.473 15.340 1.00 4.35 H new ATOM 0 HH12 ARG A 4 -6.451 7.128 17.057 1.00 4.35 H new ATOM 0 HH21 ARG A 4 -7.527 3.780 16.809 1.00 21.21 H new ATOM 0 HH22 ARG A 4 -6.926 5.046 17.886 1.00 21.21 H new ATOM 42 N ALA A 5 -6.350 7.569 9.027 1.00 13.10 N ATOM 43 CA ALA A 5 -6.956 7.472 7.704 1.00 25.54 C ATOM 44 C ALA A 5 -7.676 6.139 7.528 1.00 72.11 C ATOM 45 O ALA A 5 -7.701 5.311 8.438 1.00 34.10 O ATOM 46 CB ALA A 5 -5.898 7.649 6.625 1.00 1.25 C ATOM 0 H ALA A 5 -6.691 8.347 9.591 1.00 13.10 H new ATOM 0 HA ALA A 5 -7.693 8.269 7.609 1.00 25.54 H new ATOM 0 HB1 ALA A 5 -6.364 7.574 5.643 1.00 1.25 H new ATOM 0 HB2 ALA A 5 -5.430 8.628 6.731 1.00 1.25 H new ATOM 0 HB3 ALA A 5 -5.141 6.872 6.727 1.00 1.25 H new ATOM 52 N SER A 6 -8.262 5.939 6.351 1.00 41.15 N ATOM 53 CA SER A 6 -8.987 4.709 6.057 1.00 24.13 C ATOM 54 C SER A 6 -9.220 4.561 4.556 1.00 3.40 C ATOM 55 O SER A 6 -10.151 5.144 4.001 1.00 74.54 O ATOM 56 CB SER A 6 -10.326 4.691 6.797 1.00 3.51 C ATOM 57 OG SER A 6 -10.742 6.005 7.129 1.00 70.44 O ATOM 0 H SER A 6 -8.248 6.613 5.586 1.00 41.15 H new ATOM 0 HA SER A 6 -8.381 3.869 6.398 1.00 24.13 H new ATOM 0 HB2 SER A 6 -11.083 4.213 6.175 1.00 3.51 H new ATOM 0 HB3 SER A 6 -10.236 4.094 7.705 1.00 3.51 H new ATOM 0 HG SER A 6 -11.601 5.967 7.600 1.00 70.44 H new ATOM 63 N VAL A 7 -8.366 3.777 3.905 1.00 50.41 N ATOM 64 CA VAL A 7 -8.478 3.552 2.469 1.00 34.05 C ATOM 65 C VAL A 7 -8.529 2.062 2.150 1.00 14.03 C ATOM 66 O VAL A 7 -9.232 1.635 1.232 1.00 2.14 O ATOM 67 CB VAL A 7 -7.302 4.189 1.707 1.00 45.12 C ATOM 68 CG1 VAL A 7 -7.444 3.952 0.211 1.00 11.41 C ATOM 69 CG2 VAL A 7 -7.212 5.677 2.014 1.00 71.22 C ATOM 0 H VAL A 7 -7.589 3.287 4.349 1.00 50.41 H new ATOM 0 HA VAL A 7 -9.407 4.023 2.146 1.00 34.05 H new ATOM 0 HB VAL A 7 -6.378 3.716 2.039 1.00 45.12 H new ATOM 0 HG11 VAL A 7 -6.604 4.409 -0.311 1.00 11.41 H new ATOM 0 HG12 VAL A 7 -7.455 2.880 0.012 1.00 11.41 H new ATOM 0 HG13 VAL A 7 -8.375 4.396 -0.141 1.00 11.41 H new ATOM 0 HG21 VAL A 7 -6.375 6.111 1.467 1.00 71.22 H new ATOM 0 HG22 VAL A 7 -8.137 6.168 1.711 1.00 71.22 H new ATOM 0 HG23 VAL A 7 -7.059 5.819 3.084 1.00 71.22 H new ATOM 79 N LEU A 8 -7.780 1.273 2.912 1.00 34.34 N ATOM 80 CA LEU A 8 -7.739 -0.171 2.712 1.00 40.13 C ATOM 81 C LEU A 8 -8.972 -0.839 3.313 1.00 72.41 C ATOM 82 O LEU A 8 -9.411 -0.486 4.407 1.00 51.14 O ATOM 83 CB LEU A 8 -6.472 -0.758 3.337 1.00 1.35 C ATOM 84 CG LEU A 8 -5.172 -0.518 2.568 1.00 31.32 C ATOM 85 CD1 LEU A 8 -3.993 -1.123 3.313 1.00 23.44 C ATOM 86 CD2 LEU A 8 -5.270 -1.094 1.164 1.00 41.54 C ATOM 0 H LEU A 8 -7.192 1.609 3.675 1.00 34.34 H new ATOM 0 HA LEU A 8 -7.730 -0.364 1.639 1.00 40.13 H new ATOM 0 HB2 LEU A 8 -6.360 -0.344 4.339 1.00 1.35 H new ATOM 0 HB3 LEU A 8 -6.611 -1.833 3.450 1.00 1.35 H new ATOM 0 HG LEU A 8 -5.012 0.557 2.488 1.00 31.32 H new ATOM 0 HD11 LEU A 8 -3.076 -0.943 2.751 1.00 23.44 H new ATOM 0 HD12 LEU A 8 -3.911 -0.664 4.298 1.00 23.44 H new ATOM 0 HD13 LEU A 8 -4.145 -2.197 3.424 1.00 23.44 H new ATOM 0 HD21 LEU A 8 -4.336 -0.914 0.631 1.00 41.54 H new ATOM 0 HD22 LEU A 8 -5.454 -2.167 1.223 1.00 41.54 H new ATOM 0 HD23 LEU A 8 -6.091 -0.614 0.630 1.00 41.54 H new ATOM 98 N SER A 9 -9.524 -1.809 2.590 1.00 32.01 N ATOM 99 CA SER A 9 -10.708 -2.526 3.051 1.00 65.20 C ATOM 100 C SER A 9 -10.329 -3.610 4.055 1.00 21.11 C ATOM 101 O SER A 9 -9.218 -3.622 4.583 1.00 62.22 O ATOM 102 CB SER A 9 -11.446 -3.150 1.865 1.00 51.34 C ATOM 103 OG SER A 9 -12.837 -2.891 1.937 1.00 33.11 O ATOM 0 H SER A 9 -9.171 -2.116 1.684 1.00 32.01 H new ATOM 0 HA SER A 9 -11.366 -1.811 3.545 1.00 65.20 H new ATOM 0 HB2 SER A 9 -11.046 -2.751 0.933 1.00 51.34 H new ATOM 0 HB3 SER A 9 -11.273 -4.226 1.851 1.00 51.34 H new ATOM 0 HG SER A 9 -13.286 -3.299 1.167 1.00 33.11 H new ATOM 109 N GLY A 10 -11.263 -4.520 4.316 1.00 51.42 N ATOM 110 CA GLY A 10 -11.010 -5.595 5.256 1.00 42.24 C ATOM 111 C GLY A 10 -10.433 -6.827 4.587 1.00 62.14 C ATOM 112 O GLY A 10 -9.432 -7.378 5.042 1.00 14.35 O ATOM 0 H GLY A 10 -12.191 -4.531 3.892 1.00 51.42 H new ATOM 0 HA2 GLY A 10 -10.320 -5.246 6.025 1.00 42.24 H new ATOM 0 HA3 GLY A 10 -11.940 -5.860 5.759 1.00 42.24 H new ATOM 116 N GLY A 11 -11.067 -7.261 3.501 1.00 4.43 N ATOM 117 CA GLY A 11 -10.596 -8.433 2.787 1.00 73.14 C ATOM 118 C GLY A 11 -9.279 -8.191 2.078 1.00 30.03 C ATOM 119 O GLY A 11 -8.521 -9.127 1.826 1.00 15.45 O ATOM 0 H GLY A 11 -11.898 -6.822 3.104 1.00 4.43 H new ATOM 0 HA2 GLY A 11 -10.481 -9.260 3.488 1.00 73.14 H new ATOM 0 HA3 GLY A 11 -11.347 -8.736 2.058 1.00 73.14 H new ATOM 123 N GLU A 12 -9.006 -6.931 1.755 1.00 23.11 N ATOM 124 CA GLU A 12 -7.771 -6.569 1.069 1.00 62.02 C ATOM 125 C GLU A 12 -6.616 -6.443 2.057 1.00 1.31 C ATOM 126 O GLU A 12 -5.508 -6.913 1.798 1.00 65.04 O ATOM 127 CB GLU A 12 -7.951 -5.255 0.306 1.00 22.02 C ATOM 128 CG GLU A 12 -7.740 -5.386 -1.193 1.00 12.31 C ATOM 129 CD GLU A 12 -8.960 -4.973 -1.992 1.00 54.11 C ATOM 130 OE1 GLU A 12 -9.974 -5.701 -1.946 1.00 51.44 O ATOM 131 OE2 GLU A 12 -8.902 -3.920 -2.662 1.00 72.44 O ATOM 0 H GLU A 12 -9.623 -6.144 1.957 1.00 23.11 H new ATOM 0 HA GLU A 12 -7.534 -7.362 0.360 1.00 62.02 H new ATOM 0 HB2 GLU A 12 -8.955 -4.872 0.491 1.00 22.02 H new ATOM 0 HB3 GLU A 12 -7.251 -4.518 0.700 1.00 22.02 H new ATOM 0 HG2 GLU A 12 -6.890 -4.772 -1.491 1.00 12.31 H new ATOM 0 HG3 GLU A 12 -7.487 -6.419 -1.432 1.00 12.31 H new ATOM 138 N LEU A 13 -6.883 -5.805 3.191 1.00 10.13 N ATOM 139 CA LEU A 13 -5.866 -5.615 4.220 1.00 51.32 C ATOM 140 C LEU A 13 -5.174 -6.933 4.552 1.00 61.32 C ATOM 141 O LEU A 13 -3.958 -6.978 4.740 1.00 14.51 O ATOM 142 CB LEU A 13 -6.495 -5.025 5.483 1.00 11.41 C ATOM 143 CG LEU A 13 -5.523 -4.421 6.497 1.00 4.25 C ATOM 144 CD1 LEU A 13 -4.569 -3.453 5.814 1.00 71.33 C ATOM 145 CD2 LEU A 13 -6.284 -3.722 7.615 1.00 62.01 C ATOM 0 H LEU A 13 -7.795 -5.410 3.422 1.00 10.13 H new ATOM 0 HA LEU A 13 -5.119 -4.921 3.834 1.00 51.32 H new ATOM 0 HB2 LEU A 13 -7.204 -4.253 5.185 1.00 11.41 H new ATOM 0 HB3 LEU A 13 -7.067 -5.808 5.980 1.00 11.41 H new ATOM 0 HG LEU A 13 -4.936 -5.229 6.933 1.00 4.25 H new ATOM 0 HD11 LEU A 13 -3.885 -3.034 6.552 1.00 71.33 H new ATOM 0 HD12 LEU A 13 -3.999 -3.982 5.051 1.00 71.33 H new ATOM 0 HD13 LEU A 13 -5.138 -2.648 5.349 1.00 71.33 H new ATOM 0 HD21 LEU A 13 -5.576 -3.298 8.327 1.00 62.01 H new ATOM 0 HD22 LEU A 13 -6.897 -2.925 7.195 1.00 62.01 H new ATOM 0 HD23 LEU A 13 -6.924 -4.442 8.125 1.00 62.01 H new ATOM 157 N ASP A 14 -5.956 -8.005 4.618 1.00 12.13 N ATOM 158 CA ASP A 14 -5.418 -9.326 4.923 1.00 13.23 C ATOM 159 C ASP A 14 -4.464 -9.790 3.827 1.00 31.13 C ATOM 160 O ASP A 14 -3.464 -10.455 4.101 1.00 35.31 O ATOM 161 CB ASP A 14 -6.554 -10.337 5.089 1.00 54.20 C ATOM 162 CG ASP A 14 -6.426 -11.148 6.364 1.00 52.11 C ATOM 163 OD1 ASP A 14 -6.188 -10.543 7.430 1.00 32.22 O ATOM 164 OD2 ASP A 14 -6.564 -12.386 6.295 1.00 73.45 O ATOM 0 H ASP A 14 -6.964 -7.985 4.464 1.00 12.13 H new ATOM 0 HA ASP A 14 -4.863 -9.258 5.859 1.00 13.23 H new ATOM 0 HB2 ASP A 14 -7.508 -9.810 5.091 1.00 54.20 H new ATOM 0 HB3 ASP A 14 -6.564 -11.011 4.233 1.00 54.20 H new ATOM 169 N LYS A 15 -4.779 -9.437 2.587 1.00 41.05 N ATOM 170 CA LYS A 15 -3.951 -9.816 1.448 1.00 24.13 C ATOM 171 C LYS A 15 -2.627 -9.057 1.461 1.00 73.12 C ATOM 172 O LYS A 15 -1.577 -9.617 1.148 1.00 2.20 O ATOM 173 CB LYS A 15 -4.693 -9.545 0.138 1.00 75.40 C ATOM 174 CG LYS A 15 -4.977 -10.800 -0.671 1.00 5.11 C ATOM 175 CD LYS A 15 -5.892 -10.509 -1.848 1.00 34.34 C ATOM 176 CE LYS A 15 -5.135 -9.861 -2.996 1.00 55.12 C ATOM 177 NZ LYS A 15 -5.660 -10.294 -4.321 1.00 31.11 N ATOM 0 H LYS A 15 -5.603 -8.888 2.344 1.00 41.05 H new ATOM 0 HA LYS A 15 -3.739 -10.883 1.524 1.00 24.13 H new ATOM 0 HB2 LYS A 15 -5.636 -9.045 0.361 1.00 75.40 H new ATOM 0 HB3 LYS A 15 -4.103 -8.858 -0.468 1.00 75.40 H new ATOM 0 HG2 LYS A 15 -4.039 -11.220 -1.033 1.00 5.11 H new ATOM 0 HG3 LYS A 15 -5.436 -11.552 -0.029 1.00 5.11 H new ATOM 0 HD2 LYS A 15 -6.351 -11.436 -2.191 1.00 34.34 H new ATOM 0 HD3 LYS A 15 -6.701 -9.852 -1.528 1.00 34.34 H new ATOM 0 HE2 LYS A 15 -5.208 -8.777 -2.913 1.00 55.12 H new ATOM 0 HE3 LYS A 15 -4.078 -10.116 -2.923 1.00 55.12 H new ATOM 0 HZ1 LYS A 15 -5.118 -9.830 -5.078 1.00 31.11 H new ATOM 0 HZ2 LYS A 15 -5.567 -11.326 -4.411 1.00 31.11 H new ATOM 0 HZ3 LYS A 15 -6.662 -10.028 -4.401 1.00 31.11 H new ATOM 191 N TRP A 16 -2.687 -7.781 1.827 1.00 60.05 N ATOM 192 CA TRP A 16 -1.492 -6.947 1.881 1.00 12.23 C ATOM 193 C TRP A 16 -0.414 -7.595 2.742 1.00 4.44 C ATOM 194 O TRP A 16 0.769 -7.557 2.404 1.00 75.45 O ATOM 195 CB TRP A 16 -1.838 -5.561 2.432 1.00 61.34 C ATOM 196 CG TRP A 16 -0.645 -4.665 2.575 1.00 61.42 C ATOM 197 CD1 TRP A 16 -0.017 -4.317 3.736 1.00 70.11 C ATOM 198 CD2 TRP A 16 0.059 -4.001 1.520 1.00 64.41 C ATOM 199 NE1 TRP A 16 1.037 -3.477 3.466 1.00 12.34 N ATOM 200 CE2 TRP A 16 1.105 -3.268 2.114 1.00 21.42 C ATOM 201 CE3 TRP A 16 -0.089 -3.956 0.131 1.00 20.04 C ATOM 202 CZ2 TRP A 16 1.994 -2.500 1.367 1.00 30.32 C ATOM 203 CZ3 TRP A 16 0.794 -3.193 -0.609 1.00 73.44 C ATOM 204 CH2 TRP A 16 1.825 -2.474 0.010 1.00 40.21 C ATOM 0 H TRP A 16 -3.549 -7.303 2.090 1.00 60.05 H new ATOM 0 HA TRP A 16 -1.106 -6.842 0.867 1.00 12.23 H new ATOM 0 HB2 TRP A 16 -2.563 -5.086 1.772 1.00 61.34 H new ATOM 0 HB3 TRP A 16 -2.318 -5.674 3.404 1.00 61.34 H new ATOM 0 HD1 TRP A 16 -0.306 -4.652 4.721 1.00 70.11 H new ATOM 0 HE1 TRP A 16 1.667 -3.074 4.160 1.00 12.34 H new ATOM 0 HE3 TRP A 16 -0.880 -4.508 -0.355 1.00 20.04 H new ATOM 0 HZ2 TRP A 16 2.789 -1.944 1.842 1.00 30.32 H new ATOM 0 HZ3 TRP A 16 0.688 -3.150 -1.683 1.00 73.44 H new ATOM 0 HH2 TRP A 16 2.500 -1.888 -0.596 1.00 40.21 H new ATOM 215 N GLU A 17 -0.831 -8.188 3.857 1.00 24.12 N ATOM 216 CA GLU A 17 0.102 -8.844 4.766 1.00 24.21 C ATOM 217 C GLU A 17 0.367 -10.283 4.330 1.00 51.53 C ATOM 218 O GLU A 17 1.289 -10.934 4.823 1.00 41.54 O ATOM 219 CB GLU A 17 -0.446 -8.825 6.194 1.00 34.35 C ATOM 220 CG GLU A 17 -0.253 -7.496 6.904 1.00 62.12 C ATOM 221 CD GLU A 17 -0.368 -7.616 8.411 1.00 0.12 C ATOM 222 OE1 GLU A 17 -0.892 -8.645 8.887 1.00 71.23 O ATOM 223 OE2 GLU A 17 0.066 -6.680 9.115 1.00 61.35 O ATOM 0 H GLU A 17 -1.807 -8.227 4.152 1.00 24.12 H new ATOM 0 HA GLU A 17 1.044 -8.295 4.738 1.00 24.21 H new ATOM 0 HB2 GLU A 17 -1.510 -9.062 6.169 1.00 34.35 H new ATOM 0 HB3 GLU A 17 0.042 -9.610 6.772 1.00 34.35 H new ATOM 0 HG2 GLU A 17 0.727 -7.092 6.649 1.00 62.12 H new ATOM 0 HG3 GLU A 17 -0.995 -6.784 6.543 1.00 62.12 H new ATOM 230 N LYS A 18 -0.448 -10.773 3.402 1.00 13.10 N ATOM 231 CA LYS A 18 -0.303 -12.132 2.898 1.00 73.30 C ATOM 232 C LYS A 18 0.671 -12.177 1.724 1.00 35.23 C ATOM 233 O LYS A 18 1.049 -13.253 1.260 1.00 34.42 O ATOM 234 CB LYS A 18 -1.663 -12.686 2.466 1.00 14.42 C ATOM 235 CG LYS A 18 -1.633 -14.161 2.103 1.00 12.53 C ATOM 236 CD LYS A 18 -3.012 -14.789 2.209 1.00 31.42 C ATOM 237 CE LYS A 18 -3.164 -15.964 1.256 1.00 64.44 C ATOM 238 NZ LYS A 18 -3.893 -17.100 1.886 1.00 13.11 N ATOM 0 H LYS A 18 -1.216 -10.248 2.984 1.00 13.10 H new ATOM 0 HA LYS A 18 0.096 -12.750 3.703 1.00 73.30 H new ATOM 0 HB2 LYS A 18 -2.380 -12.534 3.272 1.00 14.42 H new ATOM 0 HB3 LYS A 18 -2.022 -12.117 1.608 1.00 14.42 H new ATOM 0 HG2 LYS A 18 -1.255 -14.279 1.087 1.00 12.53 H new ATOM 0 HG3 LYS A 18 -0.942 -14.685 2.763 1.00 12.53 H new ATOM 0 HD2 LYS A 18 -3.182 -15.124 3.232 1.00 31.42 H new ATOM 0 HD3 LYS A 18 -3.772 -14.040 1.988 1.00 31.42 H new ATOM 0 HE2 LYS A 18 -3.699 -15.640 0.363 1.00 64.44 H new ATOM 0 HE3 LYS A 18 -2.178 -16.299 0.933 1.00 64.44 H new ATOM 0 HZ1 LYS A 18 -3.976 -17.881 1.204 1.00 13.11 H new ATOM 0 HZ2 LYS A 18 -3.370 -17.426 2.724 1.00 13.11 H new ATOM 0 HZ3 LYS A 18 -4.843 -16.787 2.171 1.00 13.11 H new ATOM 252 N ILE A 19 1.073 -11.002 1.251 1.00 23.34 N ATOM 253 CA ILE A 19 2.006 -10.908 0.135 1.00 34.50 C ATOM 254 C ILE A 19 3.450 -10.974 0.618 1.00 62.51 C ATOM 255 O ILE A 19 3.829 -10.295 1.573 1.00 73.34 O ATOM 256 CB ILE A 19 1.801 -9.606 -0.662 1.00 20.45 C ATOM 257 CG1 ILE A 19 0.373 -9.534 -1.206 1.00 13.23 C ATOM 258 CG2 ILE A 19 2.811 -9.515 -1.796 1.00 1.54 C ATOM 259 CD1 ILE A 19 -0.223 -8.145 -1.156 1.00 15.40 C ATOM 0 H ILE A 19 0.767 -10.103 1.623 1.00 23.34 H new ATOM 0 HA ILE A 19 1.805 -11.758 -0.517 1.00 34.50 H new ATOM 0 HB ILE A 19 1.957 -8.760 0.007 1.00 20.45 H new ATOM 0 HG12 ILE A 19 0.368 -9.886 -2.238 1.00 13.23 H new ATOM 0 HG13 ILE A 19 -0.260 -10.213 -0.634 1.00 13.23 H new ATOM 0 HG21 ILE A 19 2.654 -8.590 -2.350 1.00 1.54 H new ATOM 0 HG22 ILE A 19 3.821 -9.525 -1.386 1.00 1.54 H new ATOM 0 HG23 ILE A 19 2.683 -10.365 -2.466 1.00 1.54 H new ATOM 0 HD11 ILE A 19 -1.236 -8.169 -1.557 1.00 15.40 H new ATOM 0 HD12 ILE A 19 -0.250 -7.798 -0.123 1.00 15.40 H new ATOM 0 HD13 ILE A 19 0.387 -7.466 -1.751 1.00 15.40 H new ATOM 271 N ARG A 20 4.254 -11.796 -0.050 1.00 22.24 N ATOM 272 CA ARG A 20 5.659 -11.950 0.311 1.00 44.12 C ATOM 273 C ARG A 20 6.491 -10.794 -0.237 1.00 71.02 C ATOM 274 O ARG A 20 5.990 -9.955 -0.987 1.00 0.21 O ATOM 275 CB ARG A 20 6.200 -13.279 -0.220 1.00 23.14 C ATOM 276 CG ARG A 20 5.447 -14.493 0.297 1.00 22.34 C ATOM 277 CD ARG A 20 6.287 -15.757 0.191 1.00 41.02 C ATOM 278 NE ARG A 20 6.103 -16.431 -1.091 1.00 54.51 N ATOM 279 CZ ARG A 20 6.390 -17.712 -1.296 1.00 52.44 C ATOM 280 NH1 ARG A 20 6.872 -18.453 -0.309 1.00 1.03 N ATOM 281 NH2 ARG A 20 6.195 -18.253 -2.491 1.00 55.25 N ATOM 0 H ARG A 20 3.957 -12.365 -0.843 1.00 22.24 H new ATOM 0 HA ARG A 20 5.732 -11.944 1.399 1.00 44.12 H new ATOM 0 HB2 ARG A 20 6.155 -13.271 -1.309 1.00 23.14 H new ATOM 0 HB3 ARG A 20 7.251 -13.370 0.055 1.00 23.14 H new ATOM 0 HG2 ARG A 20 5.162 -14.330 1.336 1.00 22.34 H new ATOM 0 HG3 ARG A 20 4.525 -14.619 -0.270 1.00 22.34 H new ATOM 0 HD2 ARG A 20 7.339 -15.505 0.320 1.00 41.02 H new ATOM 0 HD3 ARG A 20 6.021 -16.438 1.000 1.00 41.02 H new ATOM 0 HE ARG A 20 5.734 -15.889 -1.872 1.00 54.51 H new ATOM 0 HH11 ARG A 20 7.024 -18.040 0.611 1.00 1.03 H new ATOM 0 HH12 ARG A 20 7.091 -19.436 -0.470 1.00 1.03 H new ATOM 0 HH21 ARG A 20 5.825 -17.686 -3.253 1.00 55.25 H new ATOM 0 HH22 ARG A 20 6.416 -19.236 -2.648 1.00 55.25 H new ATOM 295 N LEU A 21 7.764 -10.757 0.141 1.00 63.24 N ATOM 296 CA LEU A 21 8.667 -9.705 -0.312 1.00 51.43 C ATOM 297 C LEU A 21 9.581 -10.212 -1.423 1.00 1.11 C ATOM 298 O LEU A 21 9.793 -9.529 -2.425 1.00 34.31 O ATOM 299 CB LEU A 21 9.505 -9.187 0.858 1.00 74.01 C ATOM 300 CG LEU A 21 8.734 -8.829 2.129 1.00 65.32 C ATOM 301 CD1 LEU A 21 9.631 -8.080 3.104 1.00 63.32 C ATOM 302 CD2 LEU A 21 7.503 -8.001 1.791 1.00 21.54 C ATOM 0 H LEU A 21 8.194 -11.444 0.760 1.00 63.24 H new ATOM 0 HA LEU A 21 8.064 -8.888 -0.709 1.00 51.43 H new ATOM 0 HB2 LEU A 21 10.249 -9.943 1.109 1.00 74.01 H new ATOM 0 HB3 LEU A 21 10.049 -8.303 0.526 1.00 74.01 H new ATOM 0 HG LEU A 21 8.406 -9.753 2.605 1.00 65.32 H new ATOM 0 HD11 LEU A 21 9.066 -7.833 4.003 1.00 63.32 H new ATOM 0 HD12 LEU A 21 10.482 -8.707 3.371 1.00 63.32 H new ATOM 0 HD13 LEU A 21 9.989 -7.162 2.637 1.00 63.32 H new ATOM 0 HD21 LEU A 21 6.967 -7.756 2.708 1.00 21.54 H new ATOM 0 HD22 LEU A 21 7.809 -7.081 1.292 1.00 21.54 H new ATOM 0 HD23 LEU A 21 6.850 -8.572 1.131 1.00 21.54 H new ATOM 314 N ARG A 22 10.118 -11.413 -1.238 1.00 32.42 N ATOM 315 CA ARG A 22 11.008 -12.012 -2.225 1.00 61.31 C ATOM 316 C ARG A 22 10.320 -13.167 -2.948 1.00 24.44 C ATOM 317 O ARG A 22 9.249 -13.628 -2.555 1.00 35.14 O ATOM 318 CB ARG A 22 12.289 -12.508 -1.553 1.00 21.30 C ATOM 319 CG ARG A 22 13.484 -11.594 -1.771 1.00 23.21 C ATOM 320 CD ARG A 22 14.749 -12.176 -1.159 1.00 24.30 C ATOM 321 NE ARG A 22 15.250 -13.318 -1.920 1.00 33.44 N ATOM 322 CZ ARG A 22 15.929 -13.204 -3.055 1.00 63.20 C ATOM 323 NH1 ARG A 22 16.187 -12.005 -3.559 1.00 23.42 N ATOM 324 NH2 ARG A 22 16.351 -14.291 -3.689 1.00 51.13 N ATOM 0 H ARG A 22 9.952 -11.991 -0.414 1.00 32.42 H new ATOM 0 HA ARG A 22 11.263 -11.247 -2.959 1.00 61.31 H new ATOM 0 HB2 ARG A 22 12.111 -12.611 -0.482 1.00 21.30 H new ATOM 0 HB3 ARG A 22 12.528 -13.501 -1.933 1.00 21.30 H new ATOM 0 HG2 ARG A 22 13.634 -11.438 -2.839 1.00 23.21 H new ATOM 0 HG3 ARG A 22 13.282 -10.617 -1.331 1.00 23.21 H new ATOM 0 HD2 ARG A 22 15.518 -11.405 -1.114 1.00 24.30 H new ATOM 0 HD3 ARG A 22 14.547 -12.484 -0.133 1.00 24.30 H new ATOM 0 HE ARG A 22 15.068 -14.255 -1.559 1.00 33.44 H new ATOM 0 HH11 ARG A 22 15.864 -11.168 -3.074 1.00 23.42 H new ATOM 0 HH12 ARG A 22 16.709 -11.920 -4.431 1.00 23.42 H new ATOM 0 HH21 ARG A 22 16.154 -15.215 -3.304 1.00 51.13 H new ATOM 0 HH22 ARG A 22 16.873 -14.203 -4.561 1.00 51.13 H new ATOM 338 N PRO A 23 10.950 -13.645 -4.031 1.00 31.51 N ATOM 339 CA PRO A 23 10.417 -14.752 -4.832 1.00 34.20 C ATOM 340 C PRO A 23 10.473 -16.083 -4.090 1.00 72.21 C ATOM 341 O PRO A 23 9.468 -16.783 -3.975 1.00 74.34 O ATOM 342 CB PRO A 23 11.339 -14.782 -6.054 1.00 34.23 C ATOM 343 CG PRO A 23 12.615 -14.178 -5.581 1.00 13.34 C ATOM 344 CD PRO A 23 12.230 -13.144 -4.558 1.00 60.32 C ATOM 0 HA PRO A 23 9.365 -14.608 -5.078 1.00 34.20 H new ATOM 0 HB2 PRO A 23 11.491 -15.801 -6.410 1.00 34.23 H new ATOM 0 HB3 PRO A 23 10.916 -14.215 -6.883 1.00 34.23 H new ATOM 0 HG2 PRO A 23 13.267 -14.935 -5.145 1.00 13.34 H new ATOM 0 HG3 PRO A 23 13.162 -13.724 -6.408 1.00 13.34 H new ATOM 0 HD2 PRO A 23 12.981 -13.057 -3.773 1.00 60.32 H new ATOM 0 HD3 PRO A 23 12.121 -12.156 -5.006 1.00 60.32 H new ATOM 352 N GLY A 24 11.655 -16.427 -3.587 1.00 42.13 N ATOM 353 CA GLY A 24 11.819 -17.673 -2.863 1.00 31.24 C ATOM 354 C GLY A 24 12.078 -17.455 -1.386 1.00 34.11 C ATOM 355 O GLY A 24 12.804 -18.223 -0.755 1.00 61.44 O ATOM 0 H GLY A 24 12.502 -15.864 -3.668 1.00 42.13 H new ATOM 0 HA2 GLY A 24 10.923 -18.282 -2.986 1.00 31.24 H new ATOM 0 HA3 GLY A 24 12.647 -18.234 -3.295 1.00 31.24 H new ATOM 359 N GLY A 25 11.483 -16.403 -0.830 1.00 65.42 N ATOM 360 CA GLY A 25 11.669 -16.104 0.577 1.00 72.51 C ATOM 361 C GLY A 25 10.434 -16.414 1.402 1.00 45.21 C ATOM 362 O GLY A 25 9.524 -17.100 0.938 1.00 3.52 O ATOM 0 H GLY A 25 10.876 -15.753 -1.330 1.00 65.42 H new ATOM 0 HA2 GLY A 25 12.512 -16.679 0.960 1.00 72.51 H new ATOM 0 HA3 GLY A 25 11.924 -15.050 0.691 1.00 72.51 H new ATOM 366 N LYS A 26 10.405 -15.909 2.631 1.00 12.41 N ATOM 367 CA LYS A 26 9.275 -16.135 3.524 1.00 32.10 C ATOM 368 C LYS A 26 8.809 -14.827 4.155 1.00 42.22 C ATOM 369 O LYS A 26 7.879 -14.810 4.961 1.00 51.53 O ATOM 370 CB LYS A 26 9.654 -17.135 4.618 1.00 4.25 C ATOM 371 CG LYS A 26 9.600 -18.584 4.165 1.00 41.44 C ATOM 372 CD LYS A 26 10.051 -19.530 5.265 1.00 13.43 C ATOM 373 CE LYS A 26 8.909 -20.415 5.742 1.00 3.42 C ATOM 374 NZ LYS A 26 9.273 -21.174 6.971 1.00 4.22 N ATOM 0 H LYS A 26 11.151 -15.340 3.031 1.00 12.41 H new ATOM 0 HA LYS A 26 8.455 -16.545 2.934 1.00 32.10 H new ATOM 0 HB2 LYS A 26 10.661 -16.911 4.970 1.00 4.25 H new ATOM 0 HB3 LYS A 26 8.983 -17.003 5.467 1.00 4.25 H new ATOM 0 HG2 LYS A 26 8.583 -18.834 3.863 1.00 41.44 H new ATOM 0 HG3 LYS A 26 10.234 -18.716 3.288 1.00 41.44 H new ATOM 0 HD2 LYS A 26 10.867 -20.153 4.899 1.00 13.43 H new ATOM 0 HD3 LYS A 26 10.441 -18.954 6.104 1.00 13.43 H new ATOM 0 HE2 LYS A 26 8.031 -19.800 5.941 1.00 3.42 H new ATOM 0 HE3 LYS A 26 8.636 -21.113 4.951 1.00 3.42 H new ATOM 0 HZ1 LYS A 26 8.469 -21.765 7.265 1.00 4.22 H new ATOM 0 HZ2 LYS A 26 10.095 -21.780 6.774 1.00 4.22 H new ATOM 0 HZ3 LYS A 26 9.509 -20.507 7.733 1.00 4.22 H new ATOM 388 N LYS A 27 9.462 -13.731 3.783 1.00 43.41 N ATOM 389 CA LYS A 27 9.115 -12.416 4.310 1.00 72.50 C ATOM 390 C LYS A 27 7.822 -11.903 3.684 1.00 32.33 C ATOM 391 O LYS A 27 7.566 -12.123 2.500 1.00 2.21 O ATOM 392 CB LYS A 27 10.249 -11.423 4.049 1.00 53.03 C ATOM 393 CG LYS A 27 11.435 -11.595 4.982 1.00 42.21 C ATOM 394 CD LYS A 27 12.740 -11.217 4.301 1.00 11.02 C ATOM 395 CE LYS A 27 13.930 -11.898 4.960 1.00 63.35 C ATOM 396 NZ LYS A 27 14.466 -13.007 4.122 1.00 30.25 N ATOM 0 H LYS A 27 10.235 -13.727 3.118 1.00 43.41 H new ATOM 0 HA LYS A 27 8.965 -12.512 5.385 1.00 72.50 H new ATOM 0 HB2 LYS A 27 10.588 -11.535 3.019 1.00 53.03 H new ATOM 0 HB3 LYS A 27 9.863 -10.409 4.149 1.00 53.03 H new ATOM 0 HG2 LYS A 27 11.294 -10.977 5.869 1.00 42.21 H new ATOM 0 HG3 LYS A 27 11.486 -12.630 5.320 1.00 42.21 H new ATOM 0 HD2 LYS A 27 12.697 -11.496 3.248 1.00 11.02 H new ATOM 0 HD3 LYS A 27 12.871 -10.136 4.339 1.00 11.02 H new ATOM 0 HE2 LYS A 27 14.716 -11.164 5.138 1.00 63.35 H new ATOM 0 HE3 LYS A 27 13.632 -12.289 5.933 1.00 63.35 H new ATOM 0 HZ1 LYS A 27 15.276 -13.446 4.604 1.00 30.25 H new ATOM 0 HZ2 LYS A 27 13.723 -13.720 3.973 1.00 30.25 H new ATOM 0 HZ3 LYS A 27 14.774 -12.630 3.203 1.00 30.25 H new ATOM 410 N GLN A 28 7.011 -11.221 4.486 1.00 3.23 N ATOM 411 CA GLN A 28 5.745 -10.676 4.009 1.00 21.24 C ATOM 412 C GLN A 28 5.737 -9.155 4.105 1.00 54.32 C ATOM 413 O GLN A 28 6.725 -8.542 4.510 1.00 33.14 O ATOM 414 CB GLN A 28 4.581 -11.257 4.813 1.00 71.10 C ATOM 415 CG GLN A 28 4.674 -12.760 5.020 1.00 23.22 C ATOM 416 CD GLN A 28 3.524 -13.309 5.840 1.00 2.13 C ATOM 417 OE1 GLN A 28 2.597 -13.915 5.303 1.00 63.34 O ATOM 418 NE2 GLN A 28 3.577 -13.100 7.151 1.00 42.31 N ATOM 0 H GLN A 28 7.208 -11.033 5.469 1.00 3.23 H new ATOM 0 HA GLN A 28 5.629 -10.956 2.962 1.00 21.24 H new ATOM 0 HB2 GLN A 28 4.542 -10.767 5.786 1.00 71.10 H new ATOM 0 HB3 GLN A 28 3.646 -11.026 4.302 1.00 71.10 H new ATOM 0 HG2 GLN A 28 4.692 -13.256 4.050 1.00 23.22 H new ATOM 0 HG3 GLN A 28 5.615 -12.997 5.517 1.00 23.22 H new ATOM 0 HE21 GLN A 28 4.364 -12.593 7.555 1.00 42.31 H new ATOM 0 HE22 GLN A 28 2.831 -13.447 7.753 1.00 42.31 H new ATOM 427 N TYR A 29 4.614 -8.550 3.730 1.00 24.03 N ATOM 428 CA TYR A 29 4.478 -7.098 3.771 1.00 30.44 C ATOM 429 C TYR A 29 3.706 -6.660 5.011 1.00 2.53 C ATOM 430 O TYR A 29 2.895 -7.411 5.553 1.00 72.42 O ATOM 431 CB TYR A 29 3.770 -6.596 2.512 1.00 61.54 C ATOM 432 CG TYR A 29 4.692 -6.425 1.326 1.00 3.04 C ATOM 433 CD1 TYR A 29 5.647 -5.416 1.304 1.00 33.12 C ATOM 434 CD2 TYR A 29 4.607 -7.270 0.227 1.00 20.31 C ATOM 435 CE1 TYR A 29 6.491 -5.255 0.223 1.00 25.03 C ATOM 436 CE2 TYR A 29 5.449 -7.118 -0.858 1.00 51.25 C ATOM 437 CZ TYR A 29 6.389 -6.108 -0.855 1.00 55.13 C ATOM 438 OH TYR A 29 7.227 -5.951 -1.935 1.00 63.40 O ATOM 0 H TYR A 29 3.786 -9.042 3.395 1.00 24.03 H new ATOM 0 HA TYR A 29 5.477 -6.665 3.815 1.00 30.44 H new ATOM 0 HB2 TYR A 29 2.978 -7.296 2.247 1.00 61.54 H new ATOM 0 HB3 TYR A 29 3.292 -5.641 2.730 1.00 61.54 H new ATOM 0 HD1 TYR A 29 5.731 -4.746 2.147 1.00 33.12 H new ATOM 0 HD2 TYR A 29 3.870 -8.059 0.220 1.00 20.31 H new ATOM 0 HE1 TYR A 29 7.227 -4.465 0.222 1.00 25.03 H new ATOM 0 HE2 TYR A 29 5.372 -7.786 -1.703 1.00 51.25 H new ATOM 0 HH TYR A 29 7.435 -6.829 -2.318 1.00 63.40 H new ATOM 448 N LYS A 30 3.964 -5.434 5.458 1.00 24.51 N ATOM 449 CA LYS A 30 3.295 -4.891 6.633 1.00 33.43 C ATOM 450 C LYS A 30 3.010 -3.404 6.457 1.00 14.54 C ATOM 451 O LYS A 30 3.542 -2.762 5.551 1.00 41.20 O ATOM 452 CB LYS A 30 4.151 -5.114 7.882 1.00 3.45 C ATOM 453 CG LYS A 30 3.383 -5.714 9.047 1.00 45.31 C ATOM 454 CD LYS A 30 4.275 -5.901 10.265 1.00 53.34 C ATOM 455 CE LYS A 30 4.688 -7.355 10.434 1.00 73.20 C ATOM 456 NZ LYS A 30 6.113 -7.481 10.847 1.00 31.25 N ATOM 0 H LYS A 30 4.633 -4.798 5.023 1.00 24.51 H new ATOM 0 HA LYS A 30 2.346 -5.413 6.754 1.00 33.43 H new ATOM 0 HB2 LYS A 30 4.983 -5.771 7.629 1.00 3.45 H new ATOM 0 HB3 LYS A 30 4.580 -4.161 8.193 1.00 3.45 H new ATOM 0 HG2 LYS A 30 2.545 -5.066 9.304 1.00 45.31 H new ATOM 0 HG3 LYS A 30 2.963 -6.675 8.751 1.00 45.31 H new ATOM 0 HD2 LYS A 30 5.164 -5.278 10.166 1.00 53.34 H new ATOM 0 HD3 LYS A 30 3.748 -5.565 11.158 1.00 53.34 H new ATOM 0 HE2 LYS A 30 4.050 -7.830 11.180 1.00 73.20 H new ATOM 0 HE3 LYS A 30 4.533 -7.888 9.496 1.00 73.20 H new ATOM 0 HZ1 LYS A 30 6.356 -8.487 10.952 1.00 31.25 H new ATOM 0 HZ2 LYS A 30 6.724 -7.051 10.123 1.00 31.25 H new ATOM 0 HZ3 LYS A 30 6.256 -6.994 11.755 1.00 31.25 H new ATOM 470 N LEU A 31 2.167 -2.860 7.330 1.00 42.24 N ATOM 471 CA LEU A 31 1.813 -1.446 7.272 1.00 15.22 C ATOM 472 C LEU A 31 3.054 -0.581 7.077 1.00 72.13 C ATOM 473 O LEU A 31 3.074 0.310 6.227 1.00 4.13 O ATOM 474 CB LEU A 31 1.083 -1.031 8.551 1.00 12.13 C ATOM 475 CG LEU A 31 -0.445 -1.029 8.483 1.00 43.04 C ATOM 476 CD1 LEU A 31 -0.937 0.099 7.589 1.00 0.11 C ATOM 477 CD2 LEU A 31 -0.957 -2.371 7.981 1.00 23.00 C ATOM 0 H LEU A 31 1.717 -3.377 8.085 1.00 42.24 H new ATOM 0 HA LEU A 31 1.152 -1.297 6.418 1.00 15.22 H new ATOM 0 HB2 LEU A 31 1.390 -1.701 9.354 1.00 12.13 H new ATOM 0 HB3 LEU A 31 1.416 -0.030 8.827 1.00 12.13 H new ATOM 0 HG LEU A 31 -0.835 -0.866 9.488 1.00 43.04 H new ATOM 0 HD11 LEU A 31 -2.026 0.085 7.552 1.00 0.11 H new ATOM 0 HD12 LEU A 31 -0.599 1.055 7.990 1.00 0.11 H new ATOM 0 HD13 LEU A 31 -0.538 -0.034 6.583 1.00 0.11 H new ATOM 0 HD21 LEU A 31 -2.046 -2.352 7.939 1.00 23.00 H new ATOM 0 HD22 LEU A 31 -0.558 -2.563 6.985 1.00 23.00 H new ATOM 0 HD23 LEU A 31 -0.634 -3.161 8.659 1.00 23.00 H new ATOM 489 N LYS A 32 4.086 -0.851 7.867 1.00 4.43 N ATOM 490 CA LYS A 32 5.334 -0.100 7.779 1.00 11.42 C ATOM 491 C LYS A 32 5.653 0.258 6.331 1.00 10.35 C ATOM 492 O LYS A 32 6.036 1.389 6.031 1.00 12.54 O ATOM 493 CB LYS A 32 6.483 -0.910 8.382 1.00 4.13 C ATOM 494 CG LYS A 32 7.136 -0.241 9.580 1.00 22.21 C ATOM 495 CD LYS A 32 6.898 -1.030 10.856 1.00 14.40 C ATOM 496 CE LYS A 32 5.516 -0.757 11.431 1.00 41.54 C ATOM 497 NZ LYS A 32 5.564 0.234 12.542 1.00 30.22 N ATOM 0 H LYS A 32 4.084 -1.584 8.576 1.00 4.43 H new ATOM 0 HA LYS A 32 5.214 0.824 8.344 1.00 11.42 H new ATOM 0 HB2 LYS A 32 6.108 -1.888 8.682 1.00 4.13 H new ATOM 0 HB3 LYS A 32 7.238 -1.080 7.615 1.00 4.13 H new ATOM 0 HG2 LYS A 32 8.208 -0.145 9.405 1.00 22.21 H new ATOM 0 HG3 LYS A 32 6.740 0.768 9.695 1.00 22.21 H new ATOM 0 HD2 LYS A 32 7.004 -2.095 10.651 1.00 14.40 H new ATOM 0 HD3 LYS A 32 7.658 -0.770 11.593 1.00 14.40 H new ATOM 0 HE2 LYS A 32 4.861 -0.387 10.642 1.00 41.54 H new ATOM 0 HE3 LYS A 32 5.083 -1.689 11.794 1.00 41.54 H new ATOM 0 HZ1 LYS A 32 4.603 0.393 12.907 1.00 30.22 H new ATOM 0 HZ2 LYS A 32 6.169 -0.130 13.306 1.00 30.22 H new ATOM 0 HZ3 LYS A 32 5.954 1.132 12.190 1.00 30.22 H new ATOM 511 N HIS A 33 5.492 -0.712 5.438 1.00 72.22 N ATOM 512 CA HIS A 33 5.762 -0.500 4.020 1.00 53.13 C ATOM 513 C HIS A 33 4.782 0.510 3.427 1.00 3.30 C ATOM 514 O HIS A 33 5.243 1.374 2.681 1.00 1.23 O ATOM 515 CB HIS A 33 5.671 -1.822 3.257 1.00 4.41 C ATOM 516 CG HIS A 33 6.621 -2.866 3.756 1.00 65.40 C ATOM 517 ND1 HIS A 33 6.213 -3.988 4.447 1.00 62.42 N ATOM 518 CD2 HIS A 33 7.969 -2.955 3.661 1.00 22.34 C ATOM 519 CE1 HIS A 33 7.268 -4.721 4.755 1.00 54.40 C ATOM 520 NE2 HIS A 33 8.346 -4.116 4.289 1.00 22.40 N ATOM 0 H HIS A 33 5.176 -1.653 5.671 1.00 72.22 H new ATOM 0 HA HIS A 33 6.772 -0.103 3.924 1.00 53.13 H new ATOM 0 HB2 HIS A 33 4.653 -2.204 3.329 1.00 4.41 H new ATOM 0 HB3 HIS A 33 5.868 -1.637 2.201 1.00 4.41 H new ATOM 0 HD2 HIS A 33 8.625 -2.245 3.180 1.00 22.34 H new ATOM 0 HE1 HIS A 33 7.252 -5.656 5.296 1.00 54.40 H new ATOM 0 HE2 HIS A 33 9.303 -4.456 4.381 1.00 22.40 H new ATOM 528 N ILE A 34 3.491 0.427 3.729 1.00 53.45 N ATOM 529 CA ILE A 34 2.519 1.370 3.187 1.00 33.53 C ATOM 530 C ILE A 34 2.891 2.806 3.539 1.00 22.52 C ATOM 531 O ILE A 34 3.059 3.648 2.658 1.00 2.35 O ATOM 532 CB ILE A 34 1.100 1.076 3.709 1.00 34.11 C ATOM 533 CG1 ILE A 34 0.611 -0.276 3.188 1.00 72.35 C ATOM 534 CG2 ILE A 34 0.143 2.186 3.296 1.00 23.43 C ATOM 535 CD1 ILE A 34 -0.699 -0.722 3.799 1.00 33.22 C ATOM 0 H ILE A 34 3.094 -0.282 4.345 1.00 53.45 H new ATOM 0 HA ILE A 34 2.532 1.250 2.104 1.00 33.53 H new ATOM 0 HB ILE A 34 1.131 1.035 4.798 1.00 34.11 H new ATOM 0 HG12 ILE A 34 0.497 -0.219 2.105 1.00 72.35 H new ATOM 0 HG13 ILE A 34 1.372 -1.030 3.389 1.00 72.35 H new ATOM 0 HG21 ILE A 34 -0.856 1.964 3.672 1.00 23.43 H new ATOM 0 HG22 ILE A 34 0.485 3.134 3.711 1.00 23.43 H new ATOM 0 HG23 ILE A 34 0.114 2.255 2.209 1.00 23.43 H new ATOM 0 HD11 ILE A 34 -0.984 -1.688 3.383 1.00 33.22 H new ATOM 0 HD12 ILE A 34 -0.585 -0.812 4.879 1.00 33.22 H new ATOM 0 HD13 ILE A 34 -1.473 0.012 3.576 1.00 33.22 H new ATOM 547 N VAL A 35 3.019 3.078 4.834 1.00 31.41 N ATOM 548 CA VAL A 35 3.375 4.411 5.304 1.00 43.15 C ATOM 549 C VAL A 35 4.686 4.881 4.684 1.00 43.03 C ATOM 550 O VAL A 35 4.765 5.977 4.129 1.00 74.42 O ATOM 551 CB VAL A 35 3.501 4.451 6.838 1.00 2.21 C ATOM 552 CG1 VAL A 35 3.929 5.834 7.303 1.00 1.34 C ATOM 553 CG2 VAL A 35 2.190 4.041 7.492 1.00 42.53 C ATOM 0 H VAL A 35 2.881 2.392 5.576 1.00 31.41 H new ATOM 0 HA VAL A 35 2.571 5.080 4.996 1.00 43.15 H new ATOM 0 HB VAL A 35 4.269 3.739 7.140 1.00 2.21 H new ATOM 0 HG11 VAL A 35 4.013 5.843 8.390 1.00 1.34 H new ATOM 0 HG12 VAL A 35 4.894 6.083 6.863 1.00 1.34 H new ATOM 0 HG13 VAL A 35 3.187 6.569 6.990 1.00 1.34 H new ATOM 0 HG21 VAL A 35 2.298 4.075 8.576 1.00 42.53 H new ATOM 0 HG22 VAL A 35 1.400 4.726 7.184 1.00 42.53 H new ATOM 0 HG23 VAL A 35 1.931 3.028 7.185 1.00 42.53 H new ATOM 563 N TRP A 36 5.713 4.045 4.783 1.00 40.12 N ATOM 564 CA TRP A 36 7.023 4.374 4.231 1.00 14.44 C ATOM 565 C TRP A 36 6.929 4.646 2.734 1.00 22.21 C ATOM 566 O TRP A 36 7.787 5.317 2.162 1.00 51.44 O ATOM 567 CB TRP A 36 8.011 3.237 4.495 1.00 62.50 C ATOM 568 CG TRP A 36 9.286 3.365 3.717 1.00 14.41 C ATOM 569 CD1 TRP A 36 10.403 4.059 4.084 1.00 24.12 C ATOM 570 CD2 TRP A 36 9.572 2.785 2.440 1.00 30.10 C ATOM 571 NE1 TRP A 36 11.367 3.945 3.112 1.00 52.04 N ATOM 572 CE2 TRP A 36 10.882 3.168 2.093 1.00 72.05 C ATOM 573 CE3 TRP A 36 8.850 1.978 1.557 1.00 61.44 C ATOM 574 CZ2 TRP A 36 11.482 2.772 0.901 1.00 60.12 C ATOM 575 CZ3 TRP A 36 9.446 1.585 0.374 1.00 12.13 C ATOM 576 CH2 TRP A 36 10.752 1.982 0.055 1.00 20.20 C ATOM 0 H TRP A 36 5.665 3.134 5.240 1.00 40.12 H new ATOM 0 HA TRP A 36 7.381 5.278 4.724 1.00 14.44 H new ATOM 0 HB2 TRP A 36 8.245 3.208 5.559 1.00 62.50 H new ATOM 0 HB3 TRP A 36 7.536 2.288 4.247 1.00 62.50 H new ATOM 0 HD1 TRP A 36 10.513 4.616 5.003 1.00 24.12 H new ATOM 0 HE1 TRP A 36 12.294 4.370 3.144 1.00 52.04 H new ATOM 0 HE3 TRP A 36 7.844 1.667 1.795 1.00 61.44 H new ATOM 0 HZ2 TRP A 36 12.488 3.077 0.653 1.00 60.12 H new ATOM 0 HZ3 TRP A 36 8.897 0.962 -0.316 1.00 12.13 H new ATOM 0 HH2 TRP A 36 11.191 1.658 -0.877 1.00 20.20 H new ATOM 587 N ALA A 37 5.883 4.120 2.106 1.00 44.23 N ATOM 588 CA ALA A 37 5.678 4.309 0.674 1.00 73.40 C ATOM 589 C ALA A 37 4.917 5.599 0.394 1.00 51.21 C ATOM 590 O ALA A 37 5.355 6.430 -0.401 1.00 42.31 O ATOM 591 CB ALA A 37 4.936 3.117 0.086 1.00 12.14 C ATOM 0 H ALA A 37 5.165 3.560 2.565 1.00 44.23 H new ATOM 0 HA ALA A 37 6.656 4.385 0.199 1.00 73.40 H new ATOM 0 HB1 ALA A 37 4.790 3.271 -0.983 1.00 12.14 H new ATOM 0 HB2 ALA A 37 5.520 2.210 0.246 1.00 12.14 H new ATOM 0 HB3 ALA A 37 3.967 3.015 0.574 1.00 12.14 H new ATOM 597 N SER A 38 3.772 5.762 1.053 1.00 64.51 N ATOM 598 CA SER A 38 2.948 6.950 0.871 1.00 61.10 C ATOM 599 C SER A 38 3.735 8.213 1.205 1.00 52.32 C ATOM 600 O SER A 38 3.444 9.293 0.689 1.00 60.13 O ATOM 601 CB SER A 38 1.697 6.867 1.748 1.00 45.45 C ATOM 602 OG SER A 38 1.898 7.526 2.986 1.00 2.23 O ATOM 0 H SER A 38 3.396 5.085 1.717 1.00 64.51 H new ATOM 0 HA SER A 38 2.647 6.997 -0.176 1.00 61.10 H new ATOM 0 HB2 SER A 38 0.852 7.317 1.226 1.00 45.45 H new ATOM 0 HB3 SER A 38 1.442 5.822 1.926 1.00 45.45 H new ATOM 0 HG SER A 38 1.084 7.460 3.528 1.00 2.23 H new ATOM 608 N ARG A 39 4.732 8.070 2.070 1.00 13.14 N ATOM 609 CA ARG A 39 5.561 9.199 2.475 1.00 2.31 C ATOM 610 C ARG A 39 6.626 9.496 1.424 1.00 50.22 C ATOM 611 O ARG A 39 7.276 10.540 1.464 1.00 53.52 O ATOM 612 CB ARG A 39 6.225 8.915 3.824 1.00 5.11 C ATOM 613 CG ARG A 39 7.099 10.054 4.325 1.00 73.55 C ATOM 614 CD ARG A 39 7.226 10.032 5.840 1.00 45.24 C ATOM 615 NE ARG A 39 5.962 10.343 6.500 1.00 50.11 N ATOM 616 CZ ARG A 39 5.699 10.038 7.766 1.00 43.32 C ATOM 617 NH1 ARG A 39 6.609 9.419 8.505 1.00 1.03 N ATOM 618 NH2 ARG A 39 4.524 10.355 8.296 1.00 23.23 N ATOM 0 H ARG A 39 4.986 7.183 2.505 1.00 13.14 H new ATOM 0 HA ARG A 39 4.917 10.073 2.572 1.00 2.31 H new ATOM 0 HB2 ARG A 39 5.451 8.709 4.564 1.00 5.11 H new ATOM 0 HB3 ARG A 39 6.832 8.014 3.738 1.00 5.11 H new ATOM 0 HG2 ARG A 39 8.089 9.980 3.874 1.00 73.55 H new ATOM 0 HG3 ARG A 39 6.675 11.007 4.008 1.00 73.55 H new ATOM 0 HD2 ARG A 39 7.570 9.049 6.161 1.00 45.24 H new ATOM 0 HD3 ARG A 39 7.984 10.751 6.151 1.00 45.24 H new ATOM 0 HE ARG A 39 5.241 10.821 5.960 1.00 50.11 H new ATOM 0 HH11 ARG A 39 7.514 9.176 8.102 1.00 1.03 H new ATOM 0 HH12 ARG A 39 6.404 9.186 9.477 1.00 1.03 H new ATOM 0 HH21 ARG A 39 3.822 10.833 7.731 1.00 23.23 H new ATOM 0 HH22 ARG A 39 4.323 10.120 9.268 1.00 23.23 H new ATOM 632 N GLU A 40 6.799 8.571 0.486 1.00 54.15 N ATOM 633 CA GLU A 40 7.785 8.734 -0.575 1.00 23.14 C ATOM 634 C GLU A 40 7.167 9.411 -1.795 1.00 32.31 C ATOM 635 O GLU A 40 7.813 10.213 -2.468 1.00 44.13 O ATOM 636 CB GLU A 40 8.369 7.376 -0.972 1.00 21.13 C ATOM 637 CG GLU A 40 9.692 7.475 -1.715 1.00 12.42 C ATOM 638 CD GLU A 40 9.535 7.292 -3.211 1.00 51.42 C ATOM 639 OE1 GLU A 40 8.411 7.488 -3.718 1.00 33.40 O ATOM 640 OE2 GLU A 40 10.537 6.954 -3.876 1.00 33.21 O ATOM 0 H GLU A 40 6.269 7.701 0.439 1.00 54.15 H new ATOM 0 HA GLU A 40 8.586 9.369 -0.196 1.00 23.14 H new ATOM 0 HB2 GLU A 40 8.510 6.774 -0.074 1.00 21.13 H new ATOM 0 HB3 GLU A 40 7.649 6.849 -1.598 1.00 21.13 H new ATOM 0 HG2 GLU A 40 10.144 8.447 -1.517 1.00 12.42 H new ATOM 0 HG3 GLU A 40 10.378 6.720 -1.330 1.00 12.42 H new ATOM 647 N LEU A 41 5.912 9.079 -2.074 1.00 14.31 N ATOM 648 CA LEU A 41 5.203 9.653 -3.213 1.00 42.41 C ATOM 649 C LEU A 41 5.191 11.176 -3.135 1.00 2.41 C ATOM 650 O LEU A 41 5.487 11.860 -4.114 1.00 62.20 O ATOM 651 CB LEU A 41 3.770 9.122 -3.269 1.00 42.33 C ATOM 652 CG LEU A 41 3.620 7.603 -3.360 1.00 51.41 C ATOM 653 CD1 LEU A 41 2.163 7.222 -3.569 1.00 62.03 C ATOM 654 CD2 LEU A 41 4.485 7.049 -4.484 1.00 0.52 C ATOM 0 H LEU A 41 5.364 8.415 -1.527 1.00 14.31 H new ATOM 0 HA LEU A 41 5.728 9.358 -4.122 1.00 42.41 H new ATOM 0 HB2 LEU A 41 3.241 9.467 -2.380 1.00 42.33 H new ATOM 0 HB3 LEU A 41 3.272 9.568 -4.130 1.00 42.33 H new ATOM 0 HG LEU A 41 3.957 7.166 -2.420 1.00 51.41 H new ATOM 0 HD11 LEU A 41 2.076 6.137 -3.631 1.00 62.03 H new ATOM 0 HD12 LEU A 41 1.568 7.586 -2.732 1.00 62.03 H new ATOM 0 HD13 LEU A 41 1.799 7.669 -4.494 1.00 62.03 H new ATOM 0 HD21 LEU A 41 4.366 5.967 -4.535 1.00 0.52 H new ATOM 0 HD22 LEU A 41 4.179 7.493 -5.431 1.00 0.52 H new ATOM 0 HD23 LEU A 41 5.530 7.291 -4.292 1.00 0.52 H new ATOM 666 N GLU A 42 4.848 11.701 -1.962 1.00 11.11 N ATOM 667 CA GLU A 42 4.798 13.144 -1.757 1.00 21.55 C ATOM 668 C GLU A 42 6.099 13.803 -2.207 1.00 72.42 C ATOM 669 O GLU A 42 6.097 14.933 -2.695 1.00 4.25 O ATOM 670 CB GLU A 42 4.536 13.462 -0.283 1.00 44.53 C ATOM 671 CG GLU A 42 3.367 14.407 -0.064 1.00 32.13 C ATOM 672 CD GLU A 42 3.196 14.796 1.392 1.00 4.34 C ATOM 673 OE1 GLU A 42 4.040 15.563 1.904 1.00 74.53 O ATOM 674 OE2 GLU A 42 2.220 14.335 2.020 1.00 43.03 O ATOM 0 H GLU A 42 4.601 11.149 -1.141 1.00 11.11 H new ATOM 0 HA GLU A 42 3.982 13.543 -2.359 1.00 21.55 H new ATOM 0 HB2 GLU A 42 4.346 12.532 0.253 1.00 44.53 H new ATOM 0 HB3 GLU A 42 5.434 13.902 0.151 1.00 44.53 H new ATOM 0 HG2 GLU A 42 3.515 15.307 -0.662 1.00 32.13 H new ATOM 0 HG3 GLU A 42 2.451 13.935 -0.420 1.00 32.13 H new ATOM 681 N ARG A 43 7.207 13.087 -2.040 1.00 53.21 N ATOM 682 CA ARG A 43 8.515 13.602 -2.428 1.00 53.24 C ATOM 683 C ARG A 43 8.725 13.471 -3.934 1.00 30.02 C ATOM 684 O ARG A 43 9.398 14.298 -4.551 1.00 34.52 O ATOM 685 CB ARG A 43 9.621 12.857 -1.680 1.00 63.40 C ATOM 686 CG ARG A 43 10.853 13.706 -1.412 1.00 60.21 C ATOM 687 CD ARG A 43 12.061 12.846 -1.077 1.00 63.01 C ATOM 688 NE ARG A 43 13.318 13.541 -1.337 1.00 51.24 N ATOM 689 CZ ARG A 43 14.512 12.970 -1.225 1.00 43.34 C ATOM 690 NH1 ARG A 43 14.610 11.700 -0.859 1.00 33.33 N ATOM 691 NH2 ARG A 43 15.611 13.669 -1.480 1.00 15.54 N ATOM 0 H ARG A 43 7.225 12.149 -1.639 1.00 53.21 H new ATOM 0 HA ARG A 43 8.556 14.659 -2.164 1.00 53.24 H new ATOM 0 HB2 ARG A 43 9.226 12.495 -0.731 1.00 63.40 H new ATOM 0 HB3 ARG A 43 9.913 11.981 -2.259 1.00 63.40 H new ATOM 0 HG2 ARG A 43 11.072 14.317 -2.287 1.00 60.21 H new ATOM 0 HG3 ARG A 43 10.652 14.390 -0.587 1.00 60.21 H new ATOM 0 HD2 ARG A 43 12.018 12.555 -0.027 1.00 63.01 H new ATOM 0 HD3 ARG A 43 12.026 11.928 -1.664 1.00 63.01 H new ATOM 0 HE ARG A 43 13.277 14.520 -1.621 1.00 51.24 H new ATOM 0 HH11 ARG A 43 13.768 11.159 -0.663 1.00 33.33 H new ATOM 0 HH12 ARG A 43 15.528 11.263 -0.774 1.00 33.33 H new ATOM 0 HH21 ARG A 43 15.540 14.646 -1.763 1.00 15.54 H new ATOM 0 HH22 ARG A 43 16.527 13.229 -1.393 1.00 15.54 H new ATOM 705 N PHE A 44 8.148 12.428 -4.519 1.00 30.33 N ATOM 706 CA PHE A 44 8.274 12.187 -5.951 1.00 61.12 C ATOM 707 C PHE A 44 7.204 12.950 -6.727 1.00 2.01 C ATOM 708 O PHE A 44 6.775 12.523 -7.799 1.00 21.13 O ATOM 709 CB PHE A 44 8.167 10.691 -6.251 1.00 31.40 C ATOM 710 CG PHE A 44 9.490 9.980 -6.235 1.00 55.14 C ATOM 711 CD1 PHE A 44 10.307 10.034 -5.118 1.00 3.00 C ATOM 712 CD2 PHE A 44 9.916 9.258 -7.339 1.00 23.11 C ATOM 713 CE1 PHE A 44 11.525 9.382 -5.102 1.00 62.42 C ATOM 714 CE2 PHE A 44 11.133 8.604 -7.328 1.00 30.22 C ATOM 715 CZ PHE A 44 11.939 8.665 -6.208 1.00 34.42 C ATOM 0 H PHE A 44 7.588 11.735 -4.023 1.00 30.33 H new ATOM 0 HA PHE A 44 9.254 12.544 -6.268 1.00 61.12 H new ATOM 0 HB2 PHE A 44 7.506 10.228 -5.518 1.00 31.40 H new ATOM 0 HB3 PHE A 44 7.703 10.557 -7.228 1.00 31.40 H new ATOM 0 HD1 PHE A 44 9.988 10.592 -4.250 1.00 3.00 H new ATOM 0 HD2 PHE A 44 9.290 9.206 -8.217 1.00 23.11 H new ATOM 0 HE1 PHE A 44 12.153 9.433 -4.225 1.00 62.42 H new ATOM 0 HE2 PHE A 44 11.454 8.045 -8.195 1.00 30.22 H new ATOM 0 HZ PHE A 44 12.890 8.154 -6.197 1.00 34.42 H new ATOM 725 N ALA A 45 6.777 14.082 -6.177 1.00 15.31 N ATOM 726 CA ALA A 45 5.759 14.906 -6.817 1.00 33.11 C ATOM 727 C ALA A 45 4.495 14.098 -7.096 1.00 15.45 C ATOM 728 O ALA A 45 3.659 14.496 -7.908 1.00 13.04 O ATOM 729 CB ALA A 45 6.299 15.507 -8.105 1.00 74.34 C ATOM 0 H ALA A 45 7.120 14.449 -5.290 1.00 15.31 H new ATOM 0 HA ALA A 45 5.499 15.715 -6.134 1.00 33.11 H new ATOM 0 HB1 ALA A 45 5.528 16.120 -8.572 1.00 74.34 H new ATOM 0 HB2 ALA A 45 7.168 16.126 -7.881 1.00 74.34 H new ATOM 0 HB3 ALA A 45 6.589 14.707 -8.786 1.00 74.34 H new ATOM 735 N VAL A 46 4.362 12.963 -6.417 1.00 61.11 N ATOM 736 CA VAL A 46 3.200 12.100 -6.593 1.00 0.32 C ATOM 737 C VAL A 46 2.278 12.168 -5.380 1.00 63.03 C ATOM 738 O VAL A 46 2.647 11.750 -4.283 1.00 71.12 O ATOM 739 CB VAL A 46 3.618 10.636 -6.825 1.00 2.13 C ATOM 740 CG1 VAL A 46 2.394 9.734 -6.886 1.00 5.01 C ATOM 741 CG2 VAL A 46 4.445 10.514 -8.096 1.00 24.24 C ATOM 0 H VAL A 46 5.044 12.620 -5.741 1.00 61.11 H new ATOM 0 HA VAL A 46 2.667 12.461 -7.473 1.00 0.32 H new ATOM 0 HB VAL A 46 4.234 10.314 -5.985 1.00 2.13 H new ATOM 0 HG11 VAL A 46 2.709 8.704 -7.050 1.00 5.01 H new ATOM 0 HG12 VAL A 46 1.846 9.800 -5.946 1.00 5.01 H new ATOM 0 HG13 VAL A 46 1.749 10.051 -7.705 1.00 5.01 H new ATOM 0 HG21 VAL A 46 4.732 9.473 -8.245 1.00 24.24 H new ATOM 0 HG22 VAL A 46 3.855 10.853 -8.948 1.00 24.24 H new ATOM 0 HG23 VAL A 46 5.341 11.128 -8.007 1.00 24.24 H new ATOM 751 N ASN A 47 1.076 12.696 -5.586 1.00 51.03 N ATOM 752 CA ASN A 47 0.101 12.819 -4.510 1.00 73.13 C ATOM 753 C ASN A 47 -0.141 11.471 -3.838 1.00 21.13 C ATOM 754 O ASN A 47 -0.265 10.436 -4.494 1.00 22.05 O ATOM 755 CB ASN A 47 -1.219 13.375 -5.050 1.00 43.23 C ATOM 756 CG ASN A 47 -1.245 14.891 -5.063 1.00 43.35 C ATOM 757 OD1 ASN A 47 -0.296 15.543 -4.625 1.00 55.11 O ATOM 758 ND2 ASN A 47 -2.334 15.460 -5.568 1.00 43.21 N ATOM 0 H ASN A 47 0.754 13.045 -6.489 1.00 51.03 H new ATOM 0 HA ASN A 47 0.502 13.509 -3.768 1.00 73.13 H new ATOM 0 HB2 ASN A 47 -1.380 13.003 -6.062 1.00 43.23 H new ATOM 0 HB3 ASN A 47 -2.043 13.005 -4.439 1.00 43.23 H new ATOM 0 HD21 ASN A 47 -2.408 16.477 -5.604 1.00 43.21 H new ATOM 0 HD22 ASN A 47 -3.096 14.880 -5.920 1.00 43.21 H new ATOM 765 N PRO A 48 -0.210 11.481 -2.498 1.00 3.41 N ATOM 766 CA PRO A 48 -0.437 10.267 -1.708 1.00 0.31 C ATOM 767 C PRO A 48 -1.852 9.725 -1.874 1.00 14.14 C ATOM 768 O PRO A 48 -2.190 8.670 -1.339 1.00 43.04 O ATOM 769 CB PRO A 48 -0.208 10.735 -0.268 1.00 73.43 C ATOM 770 CG PRO A 48 -0.496 12.196 -0.293 1.00 22.12 C ATOM 771 CD PRO A 48 -0.070 12.679 -1.652 1.00 70.31 C ATOM 0 HA PRO A 48 0.217 9.451 -2.015 1.00 0.31 H new ATOM 0 HB2 PRO A 48 -0.866 10.214 0.427 1.00 73.43 H new ATOM 0 HB3 PRO A 48 0.815 10.539 0.054 1.00 73.43 H new ATOM 0 HG2 PRO A 48 -1.556 12.388 -0.125 1.00 22.12 H new ATOM 0 HG3 PRO A 48 0.050 12.715 0.495 1.00 22.12 H new ATOM 0 HD2 PRO A 48 -0.700 13.496 -2.004 1.00 70.31 H new ATOM 0 HD3 PRO A 48 0.956 13.048 -1.644 1.00 70.31 H new ATOM 779 N GLY A 49 -2.677 10.454 -2.619 1.00 73.10 N ATOM 780 CA GLY A 49 -4.047 10.029 -2.843 1.00 4.32 C ATOM 781 C GLY A 49 -4.155 8.959 -3.911 1.00 10.35 C ATOM 782 O GLY A 49 -5.044 8.108 -3.860 1.00 41.24 O ATOM 0 H GLY A 49 -2.421 11.332 -3.072 1.00 73.10 H new ATOM 0 HA2 GLY A 49 -4.464 9.650 -1.910 1.00 4.32 H new ATOM 0 HA3 GLY A 49 -4.648 10.890 -3.134 1.00 4.32 H new ATOM 786 N LEU A 50 -3.251 9.003 -4.883 1.00 24.43 N ATOM 787 CA LEU A 50 -3.249 8.030 -5.970 1.00 30.21 C ATOM 788 C LEU A 50 -3.239 6.604 -5.426 1.00 43.44 C ATOM 789 O LEU A 50 -3.626 5.662 -6.118 1.00 42.10 O ATOM 790 CB LEU A 50 -2.036 8.250 -6.875 1.00 42.14 C ATOM 791 CG LEU A 50 -1.957 9.609 -7.571 1.00 43.43 C ATOM 792 CD1 LEU A 50 -0.623 9.766 -8.286 1.00 50.50 C ATOM 793 CD2 LEU A 50 -3.111 9.776 -8.550 1.00 5.03 C ATOM 0 H LEU A 50 -2.510 9.702 -4.941 1.00 24.43 H new ATOM 0 HA LEU A 50 -4.160 8.171 -6.552 1.00 30.21 H new ATOM 0 HB2 LEU A 50 -1.134 8.117 -6.278 1.00 42.14 H new ATOM 0 HB3 LEU A 50 -2.031 7.472 -7.639 1.00 42.14 H new ATOM 0 HG LEU A 50 -2.034 10.388 -6.813 1.00 43.43 H new ATOM 0 HD11 LEU A 50 -0.585 10.739 -8.776 1.00 50.50 H new ATOM 0 HD12 LEU A 50 0.189 9.692 -7.562 1.00 50.50 H new ATOM 0 HD13 LEU A 50 -0.516 8.980 -9.033 1.00 50.50 H new ATOM 0 HD21 LEU A 50 -3.038 10.749 -9.036 1.00 5.03 H new ATOM 0 HD22 LEU A 50 -3.065 8.990 -9.304 1.00 5.03 H new ATOM 0 HD23 LEU A 50 -4.057 9.709 -8.012 1.00 5.03 H new ATOM 805 N LEU A 51 -2.796 6.455 -4.183 1.00 42.11 N ATOM 806 CA LEU A 51 -2.738 5.144 -3.544 1.00 45.32 C ATOM 807 C LEU A 51 -4.122 4.509 -3.478 1.00 53.31 C ATOM 808 O LEU A 51 -4.251 3.299 -3.295 1.00 54.22 O ATOM 809 CB LEU A 51 -2.151 5.267 -2.136 1.00 73.23 C ATOM 810 CG LEU A 51 -0.667 5.623 -2.055 1.00 44.42 C ATOM 811 CD1 LEU A 51 -0.245 5.830 -0.609 1.00 73.41 C ATOM 812 CD2 LEU A 51 0.178 4.540 -2.710 1.00 13.51 C ATOM 0 H LEU A 51 -2.472 7.225 -3.597 1.00 42.11 H new ATOM 0 HA LEU A 51 -2.093 4.502 -4.144 1.00 45.32 H new ATOM 0 HB2 LEU A 51 -2.716 6.025 -1.594 1.00 73.23 H new ATOM 0 HB3 LEU A 51 -2.306 4.322 -1.616 1.00 73.23 H new ATOM 0 HG LEU A 51 -0.507 6.556 -2.595 1.00 44.42 H new ATOM 0 HD11 LEU A 51 0.815 6.083 -0.572 1.00 73.41 H new ATOM 0 HD12 LEU A 51 -0.827 6.642 -0.173 1.00 73.41 H new ATOM 0 HD13 LEU A 51 -0.420 4.914 -0.044 1.00 73.41 H new ATOM 0 HD21 LEU A 51 1.232 4.810 -2.643 1.00 13.51 H new ATOM 0 HD22 LEU A 51 0.014 3.591 -2.199 1.00 13.51 H new ATOM 0 HD23 LEU A 51 -0.105 4.441 -3.758 1.00 13.51 H new ATOM 824 N GLU A 52 -5.154 5.333 -3.630 1.00 42.31 N ATOM 825 CA GLU A 52 -6.529 4.850 -3.588 1.00 41.33 C ATOM 826 C GLU A 52 -7.110 4.740 -4.995 1.00 24.41 C ATOM 827 O GLU A 52 -8.311 4.917 -5.200 1.00 63.44 O ATOM 828 CB GLU A 52 -7.395 5.784 -2.741 1.00 12.51 C ATOM 829 CG GLU A 52 -7.710 7.106 -3.419 1.00 55.44 C ATOM 830 CD GLU A 52 -9.176 7.239 -3.787 1.00 22.13 C ATOM 831 OE1 GLU A 52 -10.013 7.341 -2.865 1.00 5.32 O ATOM 832 OE2 GLU A 52 -9.486 7.241 -4.996 1.00 43.22 O ATOM 0 H GLU A 52 -5.064 6.337 -3.783 1.00 42.31 H new ATOM 0 HA GLU A 52 -6.525 3.858 -3.135 1.00 41.33 H new ATOM 0 HB2 GLU A 52 -8.330 5.278 -2.499 1.00 12.51 H new ATOM 0 HB3 GLU A 52 -6.886 5.982 -1.798 1.00 12.51 H new ATOM 0 HG2 GLU A 52 -7.430 7.925 -2.757 1.00 55.44 H new ATOM 0 HG3 GLU A 52 -7.103 7.202 -4.319 1.00 55.44 H new ATOM 839 N THR A 53 -6.247 4.444 -5.963 1.00 73.12 N ATOM 840 CA THR A 53 -6.671 4.311 -7.351 1.00 33.44 C ATOM 841 C THR A 53 -5.718 3.414 -8.133 1.00 54.24 C ATOM 842 O THR A 53 -4.600 3.813 -8.455 1.00 63.52 O ATOM 843 CB THR A 53 -6.757 5.682 -8.047 1.00 22.40 C ATOM 844 OG1 THR A 53 -5.457 6.085 -8.494 1.00 40.42 O ATOM 845 CG2 THR A 53 -7.324 6.733 -7.105 1.00 24.12 C ATOM 0 H THR A 53 -5.250 4.292 -5.810 1.00 73.12 H new ATOM 0 HA THR A 53 -7.662 3.858 -7.337 1.00 33.44 H new ATOM 0 HB THR A 53 -7.424 5.589 -8.904 1.00 22.40 H new ATOM 0 HG1 THR A 53 -4.774 5.545 -8.043 1.00 40.42 H new ATOM 0 HG21 THR A 53 -7.375 7.693 -7.619 1.00 24.12 H new ATOM 0 HG22 THR A 53 -8.324 6.437 -6.789 1.00 24.12 H new ATOM 0 HG23 THR A 53 -6.679 6.824 -6.231 1.00 24.12 H new ATOM 853 N SER A 54 -6.170 2.201 -8.438 1.00 21.03 N ATOM 854 CA SER A 54 -5.356 1.247 -9.181 1.00 2.13 C ATOM 855 C SER A 54 -4.846 1.863 -10.480 1.00 45.10 C ATOM 856 O SER A 54 -3.804 1.466 -10.999 1.00 60.53 O ATOM 857 CB SER A 54 -6.164 -0.017 -9.485 1.00 4.23 C ATOM 858 OG SER A 54 -7.070 0.202 -10.552 1.00 41.32 O ATOM 0 H SER A 54 -7.095 1.857 -8.182 1.00 21.03 H new ATOM 0 HA SER A 54 -4.498 0.982 -8.564 1.00 2.13 H new ATOM 0 HB2 SER A 54 -5.487 -0.833 -9.740 1.00 4.23 H new ATOM 0 HB3 SER A 54 -6.713 -0.325 -8.595 1.00 4.23 H new ATOM 0 HG SER A 54 -7.049 -0.565 -11.162 1.00 41.32 H new ATOM 864 N GLU A 55 -5.588 2.837 -10.998 1.00 32.02 N ATOM 865 CA GLU A 55 -5.212 3.508 -12.236 1.00 34.12 C ATOM 866 C GLU A 55 -4.210 4.627 -11.966 1.00 72.43 C ATOM 867 O GLU A 55 -3.434 5.005 -12.843 1.00 35.14 O ATOM 868 CB GLU A 55 -6.451 4.075 -12.932 1.00 74.02 C ATOM 869 CG GLU A 55 -6.504 3.775 -14.420 1.00 52.34 C ATOM 870 CD GLU A 55 -6.565 5.032 -15.266 1.00 51.43 C ATOM 871 OE1 GLU A 55 -7.265 5.984 -14.863 1.00 44.43 O ATOM 872 OE2 GLU A 55 -5.914 5.064 -16.332 1.00 32.22 O ATOM 0 H GLU A 55 -6.453 3.179 -10.579 1.00 32.02 H new ATOM 0 HA GLU A 55 -4.742 2.773 -12.889 1.00 34.12 H new ATOM 0 HB2 GLU A 55 -7.343 3.668 -12.456 1.00 74.02 H new ATOM 0 HB3 GLU A 55 -6.477 5.155 -12.787 1.00 74.02 H new ATOM 0 HG2 GLU A 55 -5.626 3.194 -14.701 1.00 52.34 H new ATOM 0 HG3 GLU A 55 -7.376 3.156 -14.631 1.00 52.34 H new ATOM 879 N GLY A 56 -4.234 5.152 -10.744 1.00 44.14 N ATOM 880 CA GLY A 56 -3.324 6.222 -10.380 1.00 41.42 C ATOM 881 C GLY A 56 -2.039 5.707 -9.763 1.00 71.21 C ATOM 882 O GLY A 56 -1.092 6.467 -9.558 1.00 34.01 O ATOM 0 H GLY A 56 -4.867 4.855 -10.001 1.00 44.14 H new ATOM 0 HA2 GLY A 56 -3.087 6.810 -11.266 1.00 41.42 H new ATOM 0 HA3 GLY A 56 -3.818 6.891 -9.676 1.00 41.42 H new ATOM 886 N CYS A 57 -2.007 4.412 -9.464 1.00 44.54 N ATOM 887 CA CYS A 57 -0.829 3.797 -8.864 1.00 31.35 C ATOM 888 C CYS A 57 0.185 3.404 -9.933 1.00 10.10 C ATOM 889 O CYS A 57 1.394 3.486 -9.717 1.00 1.54 O ATOM 890 CB CYS A 57 -1.231 2.565 -8.050 1.00 3.35 C ATOM 891 SG CYS A 57 -2.064 2.952 -6.491 1.00 74.43 S ATOM 0 H CYS A 57 -2.782 3.769 -9.627 1.00 44.54 H new ATOM 0 HA CYS A 57 -0.366 4.528 -8.201 1.00 31.35 H new ATOM 0 HB2 CYS A 57 -1.888 1.941 -8.656 1.00 3.35 H new ATOM 0 HB3 CYS A 57 -0.339 1.976 -7.837 1.00 3.35 H new ATOM 0 HG CYS A 57 -2.614 4.127 -6.573 1.00 74.43 H new ATOM 897 N ARG A 58 -0.316 2.976 -11.088 1.00 2.12 N ATOM 898 CA ARG A 58 0.546 2.568 -12.191 1.00 11.42 C ATOM 899 C ARG A 58 1.540 3.672 -12.539 1.00 60.54 C ATOM 900 O ARG A 58 2.679 3.397 -12.916 1.00 24.02 O ATOM 901 CB ARG A 58 -0.295 2.216 -13.420 1.00 4.24 C ATOM 902 CG ARG A 58 -0.059 0.807 -13.935 1.00 31.33 C ATOM 903 CD ARG A 58 -0.614 0.626 -15.339 1.00 2.30 C ATOM 904 NE ARG A 58 0.228 -0.248 -16.152 1.00 52.34 N ATOM 905 CZ ARG A 58 1.367 0.143 -16.713 1.00 54.24 C ATOM 906 NH1 ARG A 58 1.797 1.387 -16.550 1.00 51.05 N ATOM 907 NH2 ARG A 58 2.077 -0.710 -17.440 1.00 72.23 N ATOM 0 H ARG A 58 -1.314 2.903 -11.284 1.00 2.12 H new ATOM 0 HA ARG A 58 1.104 1.686 -11.878 1.00 11.42 H new ATOM 0 HB2 ARG A 58 -1.350 2.332 -13.173 1.00 4.24 H new ATOM 0 HB3 ARG A 58 -0.074 2.927 -14.216 1.00 4.24 H new ATOM 0 HG2 ARG A 58 1.010 0.593 -13.935 1.00 31.33 H new ATOM 0 HG3 ARG A 58 -0.528 0.089 -13.262 1.00 31.33 H new ATOM 0 HD2 ARG A 58 -1.619 0.209 -15.280 1.00 2.30 H new ATOM 0 HD3 ARG A 58 -0.700 1.599 -15.823 1.00 2.30 H new ATOM 0 HE ARG A 58 -0.075 -1.211 -16.297 1.00 52.34 H new ATOM 0 HH11 ARG A 58 1.253 2.046 -15.993 1.00 51.05 H new ATOM 0 HH12 ARG A 58 2.672 1.685 -16.982 1.00 51.05 H new ATOM 0 HH21 ARG A 58 1.748 -1.667 -17.569 1.00 72.23 H new ATOM 0 HH22 ARG A 58 2.951 -0.409 -17.870 1.00 72.23 H new ATOM 921 N GLN A 59 1.100 4.920 -12.414 1.00 23.54 N ATOM 922 CA GLN A 59 1.952 6.063 -12.718 1.00 55.42 C ATOM 923 C GLN A 59 3.200 6.062 -11.841 1.00 35.14 C ATOM 924 O GLN A 59 4.268 6.504 -12.263 1.00 40.52 O ATOM 925 CB GLN A 59 1.178 7.369 -12.522 1.00 22.23 C ATOM 926 CG GLN A 59 1.028 8.185 -13.796 1.00 33.54 C ATOM 927 CD GLN A 59 2.360 8.644 -14.354 1.00 4.15 C ATOM 928 OE1 GLN A 59 2.939 7.994 -15.225 1.00 41.13 O ATOM 929 NE2 GLN A 59 2.855 9.771 -13.854 1.00 43.24 N ATOM 0 H GLN A 59 0.159 5.165 -12.105 1.00 23.54 H new ATOM 0 HA GLN A 59 2.263 5.985 -13.760 1.00 55.42 H new ATOM 0 HB2 GLN A 59 0.188 7.139 -12.129 1.00 22.23 H new ATOM 0 HB3 GLN A 59 1.686 7.974 -11.771 1.00 22.23 H new ATOM 0 HG2 GLN A 59 0.510 7.588 -14.547 1.00 33.54 H new ATOM 0 HG3 GLN A 59 0.403 9.055 -13.594 1.00 33.54 H new ATOM 0 HE21 GLN A 59 2.342 10.278 -13.133 1.00 43.24 H new ATOM 0 HE22 GLN A 59 3.748 10.129 -14.191 1.00 43.24 H new ATOM 938 N ILE A 60 3.057 5.561 -10.618 1.00 72.11 N ATOM 939 CA ILE A 60 4.173 5.501 -9.683 1.00 33.11 C ATOM 940 C ILE A 60 5.282 4.596 -10.207 1.00 51.12 C ATOM 941 O ILE A 60 6.467 4.857 -9.990 1.00 75.12 O ATOM 942 CB ILE A 60 3.722 4.994 -8.300 1.00 72.34 C ATOM 943 CG1 ILE A 60 2.523 5.803 -7.802 1.00 75.20 C ATOM 944 CG2 ILE A 60 4.871 5.072 -7.306 1.00 41.22 C ATOM 945 CD1 ILE A 60 1.736 5.108 -6.713 1.00 32.23 C ATOM 0 H ILE A 60 2.180 5.191 -10.252 1.00 72.11 H new ATOM 0 HA ILE A 60 4.555 6.517 -9.582 1.00 33.11 H new ATOM 0 HB ILE A 60 3.419 3.951 -8.393 1.00 72.34 H new ATOM 0 HG12 ILE A 60 2.874 6.765 -7.428 1.00 75.20 H new ATOM 0 HG13 ILE A 60 1.860 6.010 -8.642 1.00 75.20 H new ATOM 0 HG21 ILE A 60 4.536 4.710 -6.334 1.00 41.22 H new ATOM 0 HG22 ILE A 60 5.698 4.456 -7.657 1.00 41.22 H new ATOM 0 HG23 ILE A 60 5.203 6.106 -7.214 1.00 41.22 H new ATOM 0 HD11 ILE A 60 0.901 5.739 -6.408 1.00 32.23 H new ATOM 0 HD12 ILE A 60 1.355 4.159 -7.089 1.00 32.23 H new ATOM 0 HD13 ILE A 60 2.384 4.925 -5.856 1.00 32.23 H new ATOM 957 N LEU A 61 4.892 3.531 -10.899 1.00 13.41 N ATOM 958 CA LEU A 61 5.853 2.587 -11.457 1.00 52.01 C ATOM 959 C LEU A 61 6.447 3.120 -12.757 1.00 61.51 C ATOM 960 O LEU A 61 7.510 2.679 -13.192 1.00 74.35 O ATOM 961 CB LEU A 61 5.184 1.234 -11.705 1.00 54.32 C ATOM 962 CG LEU A 61 4.587 0.545 -10.477 1.00 64.32 C ATOM 963 CD1 LEU A 61 3.600 -0.533 -10.897 1.00 54.14 C ATOM 964 CD2 LEU A 61 5.690 -0.048 -9.611 1.00 51.20 C ATOM 0 H LEU A 61 3.916 3.300 -11.087 1.00 13.41 H new ATOM 0 HA LEU A 61 6.660 2.459 -10.736 1.00 52.01 H new ATOM 0 HB2 LEU A 61 4.391 1.373 -12.440 1.00 54.32 H new ATOM 0 HB3 LEU A 61 5.919 0.564 -12.151 1.00 54.32 H new ATOM 0 HG LEU A 61 4.051 1.291 -9.890 1.00 64.32 H new ATOM 0 HD11 LEU A 61 3.185 -1.012 -10.010 1.00 54.14 H new ATOM 0 HD12 LEU A 61 2.794 -0.083 -11.476 1.00 54.14 H new ATOM 0 HD13 LEU A 61 4.112 -1.278 -11.506 1.00 54.14 H new ATOM 0 HD21 LEU A 61 5.248 -0.534 -8.741 1.00 51.20 H new ATOM 0 HD22 LEU A 61 6.253 -0.781 -10.190 1.00 51.20 H new ATOM 0 HD23 LEU A 61 6.360 0.746 -9.281 1.00 51.20 H new ATOM 976 N GLY A 62 5.754 4.073 -13.372 1.00 74.45 N ATOM 977 CA GLY A 62 6.229 4.651 -14.616 1.00 14.24 C ATOM 978 C GLY A 62 7.380 5.614 -14.404 1.00 51.41 C ATOM 979 O GLY A 62 8.175 5.849 -15.314 1.00 0.42 O ATOM 0 H GLY A 62 4.872 4.455 -13.031 1.00 74.45 H new ATOM 0 HA2 GLY A 62 6.546 3.852 -15.287 1.00 14.24 H new ATOM 0 HA3 GLY A 62 5.408 5.173 -15.108 1.00 14.24 H new ATOM 983 N GLN A 63 7.468 6.174 -13.202 1.00 20.55 N ATOM 984 CA GLN A 63 8.530 7.118 -12.875 1.00 42.41 C ATOM 985 C GLN A 63 9.774 6.389 -12.381 1.00 3.23 C ATOM 986 O GLN A 63 10.832 6.995 -12.201 1.00 3.22 O ATOM 987 CB GLN A 63 8.050 8.110 -11.815 1.00 25.25 C ATOM 988 CG GLN A 63 7.626 9.454 -12.385 1.00 12.21 C ATOM 989 CD GLN A 63 8.249 10.623 -11.649 1.00 2.53 C ATOM 990 OE1 GLN A 63 7.556 11.392 -10.982 1.00 22.20 O ATOM 991 NE2 GLN A 63 9.565 10.764 -11.765 1.00 52.25 N ATOM 0 H GLN A 63 6.817 5.990 -12.439 1.00 20.55 H new ATOM 0 HA GLN A 63 8.789 7.664 -13.782 1.00 42.41 H new ATOM 0 HB2 GLN A 63 7.210 7.673 -11.275 1.00 25.25 H new ATOM 0 HB3 GLN A 63 8.848 8.268 -11.090 1.00 25.25 H new ATOM 0 HG2 GLN A 63 7.905 9.502 -13.438 1.00 12.21 H new ATOM 0 HG3 GLN A 63 6.540 9.538 -12.339 1.00 12.21 H new ATOM 0 HE21 GLN A 63 10.101 10.104 -12.328 1.00 52.25 H new ATOM 0 HE22 GLN A 63 10.039 11.533 -11.291 1.00 52.25 H new ATOM 1000 N LEU A 64 9.643 5.085 -12.162 1.00 50.12 N ATOM 1001 CA LEU A 64 10.757 4.272 -11.687 1.00 53.14 C ATOM 1002 C LEU A 64 11.134 3.210 -12.715 1.00 52.32 C ATOM 1003 O LEU A 64 12.294 2.813 -12.814 1.00 21.50 O ATOM 1004 CB LEU A 64 10.399 3.607 -10.358 1.00 74.12 C ATOM 1005 CG LEU A 64 9.770 4.515 -9.299 1.00 63.35 C ATOM 1006 CD1 LEU A 64 9.554 3.753 -8.002 1.00 72.45 C ATOM 1007 CD2 LEU A 64 10.643 5.738 -9.062 1.00 43.53 C ATOM 0 H LEU A 64 8.776 4.568 -12.306 1.00 50.12 H new ATOM 0 HA LEU A 64 11.615 4.928 -11.538 1.00 53.14 H new ATOM 0 HB2 LEU A 64 9.710 2.787 -10.559 1.00 74.12 H new ATOM 0 HB3 LEU A 64 11.304 3.168 -9.939 1.00 74.12 H new ATOM 0 HG LEU A 64 8.799 4.850 -9.664 1.00 63.35 H new ATOM 0 HD11 LEU A 64 9.106 4.415 -7.261 1.00 72.45 H new ATOM 0 HD12 LEU A 64 8.889 2.908 -8.183 1.00 72.45 H new ATOM 0 HD13 LEU A 64 10.512 3.388 -7.631 1.00 72.45 H new ATOM 0 HD21 LEU A 64 10.182 6.373 -8.306 1.00 43.53 H new ATOM 0 HD22 LEU A 64 11.627 5.421 -8.718 1.00 43.53 H new ATOM 0 HD23 LEU A 64 10.746 6.297 -9.992 1.00 43.53 H new ATOM 1019 N GLN A 65 10.144 2.758 -13.480 1.00 25.25 N ATOM 1020 CA GLN A 65 10.373 1.744 -14.502 1.00 63.30 C ATOM 1021 C GLN A 65 11.563 2.114 -15.380 1.00 62.25 C ATOM 1022 O GLN A 65 12.544 1.377 -15.483 1.00 71.33 O ATOM 1023 CB GLN A 65 9.122 1.567 -15.365 1.00 13.44 C ATOM 1024 CG GLN A 65 9.423 1.150 -16.795 1.00 62.02 C ATOM 1025 CD GLN A 65 8.194 0.652 -17.529 1.00 54.41 C ATOM 1026 OE1 GLN A 65 8.006 -0.552 -17.704 1.00 62.01 O ATOM 1027 NE2 GLN A 65 7.347 1.579 -17.962 1.00 40.33 N ATOM 0 H GLN A 65 9.178 3.078 -13.411 1.00 25.25 H new ATOM 0 HA GLN A 65 10.595 0.803 -14.000 1.00 63.30 H new ATOM 0 HB2 GLN A 65 8.477 0.818 -14.905 1.00 13.44 H new ATOM 0 HB3 GLN A 65 8.564 2.504 -15.378 1.00 13.44 H new ATOM 0 HG2 GLN A 65 9.846 1.997 -17.335 1.00 62.02 H new ATOM 0 HG3 GLN A 65 10.180 0.366 -16.789 1.00 62.02 H new ATOM 0 HE21 GLN A 65 7.542 2.566 -17.795 1.00 40.33 H new ATOM 0 HE22 GLN A 65 6.501 1.304 -18.461 1.00 40.33 H new ATOM 1036 N PRO A 66 11.477 3.284 -16.032 1.00 25.44 N ATOM 1037 CA PRO A 66 12.539 3.779 -16.913 1.00 51.51 C ATOM 1038 C PRO A 66 13.789 4.188 -16.142 1.00 3.14 C ATOM 1039 O PRO A 66 14.800 4.567 -16.735 1.00 73.32 O ATOM 1040 CB PRO A 66 11.901 4.999 -17.584 1.00 3.23 C ATOM 1041 CG PRO A 66 10.857 5.456 -16.626 1.00 55.22 C ATOM 1042 CD PRO A 66 10.338 4.214 -15.956 1.00 73.10 C ATOM 0 HA PRO A 66 12.876 3.016 -17.615 1.00 51.51 H new ATOM 0 HB2 PRO A 66 12.638 5.780 -17.768 1.00 3.23 H new ATOM 0 HB3 PRO A 66 11.466 4.738 -18.549 1.00 3.23 H new ATOM 0 HG2 PRO A 66 11.274 6.148 -15.895 1.00 55.22 H new ATOM 0 HG3 PRO A 66 10.056 5.984 -17.144 1.00 55.22 H new ATOM 0 HD2 PRO A 66 10.045 4.407 -14.924 1.00 73.10 H new ATOM 0 HD3 PRO A 66 9.461 3.818 -16.468 1.00 73.10 H new ATOM 1050 N SER A 67 13.715 4.109 -14.818 1.00 34.53 N ATOM 1051 CA SER A 67 14.839 4.474 -13.965 1.00 24.34 C ATOM 1052 C SER A 67 15.478 3.234 -13.347 1.00 72.44 C ATOM 1053 O SER A 67 16.553 3.305 -12.750 1.00 10.41 O ATOM 1054 CB SER A 67 14.382 5.429 -12.861 1.00 14.11 C ATOM 1055 OG SER A 67 14.192 6.739 -13.367 1.00 43.43 O ATOM 0 H SER A 67 12.887 3.795 -14.312 1.00 34.53 H new ATOM 0 HA SER A 67 15.583 4.975 -14.584 1.00 24.34 H new ATOM 0 HB2 SER A 67 13.452 5.066 -12.424 1.00 14.11 H new ATOM 0 HB3 SER A 67 15.123 5.448 -12.062 1.00 14.11 H new ATOM 0 HG SER A 67 13.898 7.330 -12.643 1.00 43.43 H new ATOM 1061 N LEU A 68 14.808 2.095 -13.494 1.00 44.35 N ATOM 1062 CA LEU A 68 15.309 0.838 -12.952 1.00 72.20 C ATOM 1063 C LEU A 68 16.696 0.521 -13.500 1.00 50.54 C ATOM 1064 O LEU A 68 17.471 -0.201 -12.874 1.00 72.30 O ATOM 1065 CB LEU A 68 14.345 -0.303 -13.283 1.00 60.44 C ATOM 1066 CG LEU A 68 13.102 -0.411 -12.399 1.00 45.31 C ATOM 1067 CD1 LEU A 68 11.997 -1.166 -13.120 1.00 53.32 C ATOM 1068 CD2 LEU A 68 13.442 -1.092 -11.081 1.00 3.54 C ATOM 0 H LEU A 68 13.917 2.017 -13.984 1.00 44.35 H new ATOM 0 HA LEU A 68 15.382 0.942 -11.869 1.00 72.20 H new ATOM 0 HB2 LEU A 68 14.021 -0.190 -14.318 1.00 60.44 H new ATOM 0 HB3 LEU A 68 14.893 -1.244 -13.222 1.00 60.44 H new ATOM 0 HG LEU A 68 12.745 0.596 -12.184 1.00 45.31 H new ATOM 0 HD11 LEU A 68 11.121 -1.232 -12.475 1.00 53.32 H new ATOM 0 HD12 LEU A 68 11.734 -0.638 -14.036 1.00 53.32 H new ATOM 0 HD13 LEU A 68 12.343 -2.170 -13.366 1.00 53.32 H new ATOM 0 HD21 LEU A 68 12.545 -1.160 -10.465 1.00 3.54 H new ATOM 0 HD22 LEU A 68 13.825 -2.094 -11.277 1.00 3.54 H new ATOM 0 HD23 LEU A 68 14.200 -0.511 -10.556 1.00 3.54 H new ATOM 1080 N GLN A 69 17.003 1.070 -14.672 1.00 24.23 N ATOM 1081 CA GLN A 69 18.298 0.846 -15.302 1.00 44.41 C ATOM 1082 C GLN A 69 19.436 1.150 -14.333 1.00 52.50 C ATOM 1083 O GLN A 69 20.364 0.355 -14.177 1.00 72.42 O ATOM 1084 CB GLN A 69 18.435 1.713 -16.555 1.00 42.25 C ATOM 1085 CG GLN A 69 19.599 1.314 -17.448 1.00 51.20 C ATOM 1086 CD GLN A 69 19.288 1.482 -18.922 1.00 44.03 C ATOM 1087 OE1 GLN A 69 18.242 2.014 -19.291 1.00 34.01 O ATOM 1088 NE2 GLN A 69 20.200 1.029 -19.775 1.00 32.02 N ATOM 0 H GLN A 69 16.373 1.672 -15.203 1.00 24.23 H new ATOM 0 HA GLN A 69 18.358 -0.205 -15.586 1.00 44.41 H new ATOM 0 HB2 GLN A 69 17.511 1.655 -17.130 1.00 42.25 H new ATOM 0 HB3 GLN A 69 18.559 2.754 -16.255 1.00 42.25 H new ATOM 0 HG2 GLN A 69 20.471 1.917 -17.193 1.00 51.20 H new ATOM 0 HG3 GLN A 69 19.862 0.275 -17.252 1.00 51.20 H new ATOM 0 HE21 GLN A 69 21.054 0.594 -19.425 1.00 32.02 H new ATOM 0 HE22 GLN A 69 20.046 1.116 -20.780 1.00 32.02 H new ATOM 1097 N THR A 70 19.359 2.307 -13.682 1.00 3.50 N ATOM 1098 CA THR A 70 20.383 2.717 -12.729 1.00 63.11 C ATOM 1099 C THR A 70 19.774 3.499 -11.571 1.00 72.04 C ATOM 1100 O THR A 70 20.299 4.535 -11.164 1.00 64.21 O ATOM 1101 CB THR A 70 21.466 3.580 -13.404 1.00 54.01 C ATOM 1102 OG1 THR A 70 21.579 3.230 -14.788 1.00 12.41 O ATOM 1103 CG2 THR A 70 22.811 3.396 -12.717 1.00 33.12 C ATOM 0 H THR A 70 18.598 2.976 -13.798 1.00 3.50 H new ATOM 0 HA THR A 70 20.842 1.805 -12.347 1.00 63.11 H new ATOM 0 HB THR A 70 21.172 4.626 -13.317 1.00 54.01 H new ATOM 0 HG1 THR A 70 22.268 3.784 -15.210 1.00 12.41 H new ATOM 0 HG21 THR A 70 23.560 4.015 -13.211 1.00 33.12 H new ATOM 0 HG22 THR A 70 22.729 3.691 -11.671 1.00 33.12 H new ATOM 0 HG23 THR A 70 23.110 2.349 -12.776 1.00 33.12 H new ATOM 1111 N GLY A 71 18.662 2.997 -11.043 1.00 53.15 N ATOM 1112 CA GLY A 71 18.000 3.661 -9.935 1.00 52.13 C ATOM 1113 C GLY A 71 18.589 3.277 -8.592 1.00 75.45 C ATOM 1114 O GLY A 71 18.848 2.101 -8.336 1.00 12.54 O ATOM 0 H GLY A 71 18.207 2.142 -11.363 1.00 53.15 H new ATOM 0 HA2 GLY A 71 18.075 4.741 -10.066 1.00 52.13 H new ATOM 0 HA3 GLY A 71 16.939 3.411 -9.948 1.00 52.13 H new ATOM 1118 N SER A 72 18.802 4.269 -7.735 1.00 55.44 N ATOM 1119 CA SER A 72 19.369 4.029 -6.414 1.00 4.35 C ATOM 1120 C SER A 72 18.577 2.958 -5.669 1.00 1.43 C ATOM 1121 O SER A 72 17.447 2.639 -6.038 1.00 31.30 O ATOM 1122 CB SER A 72 19.387 5.325 -5.600 1.00 31.32 C ATOM 1123 OG SER A 72 18.553 6.308 -6.189 1.00 62.10 O ATOM 0 H SER A 72 18.590 5.247 -7.932 1.00 55.44 H new ATOM 0 HA SER A 72 20.392 3.676 -6.544 1.00 4.35 H new ATOM 0 HB2 SER A 72 19.054 5.123 -4.582 1.00 31.32 H new ATOM 0 HB3 SER A 72 20.408 5.702 -5.533 1.00 31.32 H new ATOM 0 HG SER A 72 18.580 7.126 -5.650 1.00 62.10 H new ATOM 1129 N GLU A 73 19.179 2.409 -4.619 1.00 20.30 N ATOM 1130 CA GLU A 73 18.531 1.373 -3.823 1.00 54.32 C ATOM 1131 C GLU A 73 17.080 1.743 -3.528 1.00 61.01 C ATOM 1132 O GLU A 73 16.188 0.898 -3.597 1.00 11.01 O ATOM 1133 CB GLU A 73 19.289 1.157 -2.512 1.00 65.42 C ATOM 1134 CG GLU A 73 19.345 -0.297 -2.074 1.00 12.31 C ATOM 1135 CD GLU A 73 20.167 -1.159 -3.013 1.00 4.54 C ATOM 1136 OE1 GLU A 73 21.163 -0.648 -3.568 1.00 74.23 O ATOM 1137 OE2 GLU A 73 19.815 -2.343 -3.191 1.00 65.24 O ATOM 0 H GLU A 73 20.114 2.664 -4.300 1.00 20.30 H new ATOM 0 HA GLU A 73 18.543 0.447 -4.398 1.00 54.32 H new ATOM 0 HB2 GLU A 73 20.306 1.533 -2.624 1.00 65.42 H new ATOM 0 HB3 GLU A 73 18.815 1.746 -1.727 1.00 65.42 H new ATOM 0 HG2 GLU A 73 19.768 -0.354 -1.071 1.00 12.31 H new ATOM 0 HG3 GLU A 73 18.332 -0.694 -2.016 1.00 12.31 H new ATOM 1144 N GLU A 74 16.853 3.011 -3.198 1.00 42.45 N ATOM 1145 CA GLU A 74 15.511 3.492 -2.892 1.00 63.31 C ATOM 1146 C GLU A 74 14.529 3.105 -3.994 1.00 43.25 C ATOM 1147 O GLU A 74 13.440 2.598 -3.722 1.00 24.41 O ATOM 1148 CB GLU A 74 15.518 5.011 -2.711 1.00 60.02 C ATOM 1149 CG GLU A 74 15.496 5.451 -1.257 1.00 12.25 C ATOM 1150 CD GLU A 74 15.050 6.891 -1.089 1.00 35.41 C ATOM 1151 OE1 GLU A 74 15.174 7.667 -2.059 1.00 21.15 O ATOM 1152 OE2 GLU A 74 14.574 7.239 0.012 1.00 11.43 O ATOM 0 H GLU A 74 17.581 3.723 -3.136 1.00 42.45 H new ATOM 0 HA GLU A 74 15.189 3.024 -1.962 1.00 63.31 H new ATOM 0 HB2 GLU A 74 16.405 5.422 -3.193 1.00 60.02 H new ATOM 0 HB3 GLU A 74 14.653 5.433 -3.223 1.00 60.02 H new ATOM 0 HG2 GLU A 74 14.827 4.800 -0.694 1.00 12.25 H new ATOM 0 HG3 GLU A 74 16.492 5.331 -0.830 1.00 12.25 H new ATOM 1159 N LEU A 75 14.922 3.348 -5.240 1.00 43.03 N ATOM 1160 CA LEU A 75 14.078 3.025 -6.385 1.00 54.51 C ATOM 1161 C LEU A 75 13.696 1.548 -6.383 1.00 1.33 C ATOM 1162 O LEU A 75 12.581 1.185 -6.755 1.00 32.44 O ATOM 1163 CB LEU A 75 14.797 3.376 -7.689 1.00 14.12 C ATOM 1164 CG LEU A 75 13.907 3.546 -8.921 1.00 3.13 C ATOM 1165 CD1 LEU A 75 14.219 4.856 -9.628 1.00 14.31 C ATOM 1166 CD2 LEU A 75 14.082 2.371 -9.871 1.00 70.12 C ATOM 0 H LEU A 75 15.820 3.767 -5.483 1.00 43.03 H new ATOM 0 HA LEU A 75 13.165 3.616 -6.309 1.00 54.51 H new ATOM 0 HB2 LEU A 75 15.353 4.301 -7.536 1.00 14.12 H new ATOM 0 HB3 LEU A 75 15.528 2.596 -7.899 1.00 14.12 H new ATOM 0 HG LEU A 75 12.868 3.572 -8.594 1.00 3.13 H new ATOM 0 HD11 LEU A 75 13.576 4.960 -10.502 1.00 14.31 H new ATOM 0 HD12 LEU A 75 14.042 5.688 -8.947 1.00 14.31 H new ATOM 0 HD13 LEU A 75 15.263 4.860 -9.943 1.00 14.31 H new ATOM 0 HD21 LEU A 75 13.441 2.509 -10.742 1.00 70.12 H new ATOM 0 HD22 LEU A 75 15.122 2.314 -10.191 1.00 70.12 H new ATOM 0 HD23 LEU A 75 13.808 1.447 -9.361 1.00 70.12 H new ATOM 1178 N ARG A 76 14.630 0.703 -5.958 1.00 13.32 N ATOM 1179 CA ARG A 76 14.392 -0.734 -5.906 1.00 33.03 C ATOM 1180 C ARG A 76 13.497 -1.095 -4.723 1.00 44.23 C ATOM 1181 O ARG A 76 12.775 -2.091 -4.759 1.00 2.13 O ATOM 1182 CB ARG A 76 15.718 -1.489 -5.805 1.00 32.22 C ATOM 1183 CG ARG A 76 16.190 -2.070 -7.128 1.00 0.04 C ATOM 1184 CD ARG A 76 17.515 -1.463 -7.562 1.00 1.23 C ATOM 1185 NE ARG A 76 17.955 -1.975 -8.856 1.00 54.23 N ATOM 1186 CZ ARG A 76 18.458 -3.192 -9.034 1.00 14.25 C ATOM 1187 NH1 ARG A 76 18.584 -4.017 -8.003 1.00 44.13 N ATOM 1188 NH2 ARG A 76 18.835 -3.586 -10.243 1.00 51.12 N ATOM 0 H ARG A 76 15.558 0.989 -5.645 1.00 13.32 H new ATOM 0 HA ARG A 76 13.885 -1.026 -6.826 1.00 33.03 H new ATOM 0 HB2 ARG A 76 16.483 -0.814 -5.421 1.00 32.22 H new ATOM 0 HB3 ARG A 76 15.613 -2.296 -5.080 1.00 32.22 H new ATOM 0 HG2 ARG A 76 16.297 -3.151 -7.035 1.00 0.04 H new ATOM 0 HG3 ARG A 76 15.437 -1.889 -7.895 1.00 0.04 H new ATOM 0 HD2 ARG A 76 17.416 -0.379 -7.616 1.00 1.23 H new ATOM 0 HD3 ARG A 76 18.275 -1.677 -6.810 1.00 1.23 H new ATOM 0 HE ARG A 76 17.872 -1.365 -9.669 1.00 54.23 H new ATOM 0 HH11 ARG A 76 18.295 -3.718 -7.072 1.00 44.13 H new ATOM 0 HH12 ARG A 76 18.970 -4.951 -8.141 1.00 44.13 H new ATOM 0 HH21 ARG A 76 18.739 -2.954 -11.038 1.00 51.12 H new ATOM 0 HH22 ARG A 76 19.221 -4.521 -10.378 1.00 51.12 H new ATOM 1202 N SER A 77 13.553 -0.278 -3.676 1.00 14.33 N ATOM 1203 CA SER A 77 12.751 -0.512 -2.480 1.00 63.15 C ATOM 1204 C SER A 77 11.314 -0.046 -2.689 1.00 54.05 C ATOM 1205 O SER A 77 10.387 -0.545 -2.049 1.00 64.21 O ATOM 1206 CB SER A 77 13.365 0.211 -1.279 1.00 71.23 C ATOM 1207 OG SER A 77 14.541 -0.443 -0.838 1.00 4.13 O ATOM 0 H SER A 77 14.145 0.551 -3.631 1.00 14.33 H new ATOM 0 HA SER A 77 12.741 -1.584 -2.283 1.00 63.15 H new ATOM 0 HB2 SER A 77 13.598 1.241 -1.550 1.00 71.23 H new ATOM 0 HB3 SER A 77 12.641 0.252 -0.466 1.00 71.23 H new ATOM 0 HG SER A 77 14.915 0.039 -0.071 1.00 4.13 H new ATOM 1213 N LEU A 78 11.135 0.915 -3.590 1.00 61.21 N ATOM 1214 CA LEU A 78 9.811 1.450 -3.885 1.00 74.22 C ATOM 1215 C LEU A 78 9.100 0.599 -4.933 1.00 5.21 C ATOM 1216 O LEU A 78 8.059 0.002 -4.661 1.00 0.53 O ATOM 1217 CB LEU A 78 9.921 2.896 -4.373 1.00 72.34 C ATOM 1218 CG LEU A 78 9.386 3.968 -3.424 1.00 71.32 C ATOM 1219 CD1 LEU A 78 7.972 3.629 -2.979 1.00 0.43 C ATOM 1220 CD2 LEU A 78 10.304 4.119 -2.220 1.00 24.22 C ATOM 0 H LEU A 78 11.891 1.339 -4.128 1.00 61.21 H new ATOM 0 HA LEU A 78 9.224 1.427 -2.967 1.00 74.22 H new ATOM 0 HB2 LEU A 78 10.970 3.111 -4.577 1.00 72.34 H new ATOM 0 HB3 LEU A 78 9.389 2.980 -5.321 1.00 72.34 H new ATOM 0 HG LEU A 78 9.359 4.918 -3.957 1.00 71.32 H new ATOM 0 HD11 LEU A 78 7.608 4.403 -2.304 1.00 0.43 H new ATOM 0 HD12 LEU A 78 7.320 3.571 -3.851 1.00 0.43 H new ATOM 0 HD13 LEU A 78 7.973 2.669 -2.463 1.00 0.43 H new ATOM 0 HD21 LEU A 78 9.908 4.886 -1.555 1.00 24.22 H new ATOM 0 HD22 LEU A 78 10.363 3.171 -1.686 1.00 24.22 H new ATOM 0 HD23 LEU A 78 11.300 4.408 -2.556 1.00 24.22 H new ATOM 1232 N TYR A 79 9.673 0.547 -6.132 1.00 15.44 N ATOM 1233 CA TYR A 79 9.095 -0.231 -7.220 1.00 55.24 C ATOM 1234 C TYR A 79 8.499 -1.536 -6.702 1.00 64.23 C ATOM 1235 O TYR A 79 7.342 -1.855 -6.974 1.00 3.30 O ATOM 1236 CB TYR A 79 10.155 -0.527 -8.283 1.00 13.35 C ATOM 1237 CG TYR A 79 9.578 -0.805 -9.652 1.00 64.21 C ATOM 1238 CD1 TYR A 79 8.905 0.184 -10.358 1.00 43.35 C ATOM 1239 CD2 TYR A 79 9.706 -2.057 -10.240 1.00 64.13 C ATOM 1240 CE1 TYR A 79 8.377 -0.066 -11.610 1.00 55.41 C ATOM 1241 CE2 TYR A 79 9.182 -2.316 -11.492 1.00 11.31 C ATOM 1242 CZ TYR A 79 8.518 -1.317 -12.173 1.00 41.33 C ATOM 1243 OH TYR A 79 7.993 -1.571 -13.419 1.00 43.51 O ATOM 0 H TYR A 79 10.536 1.034 -6.373 1.00 15.44 H new ATOM 0 HA TYR A 79 8.295 0.359 -7.668 1.00 55.24 H new ATOM 0 HB2 TYR A 79 10.836 0.321 -8.351 1.00 13.35 H new ATOM 0 HB3 TYR A 79 10.746 -1.386 -7.966 1.00 13.35 H new ATOM 0 HD1 TYR A 79 8.793 1.165 -9.921 1.00 43.35 H new ATOM 0 HD2 TYR A 79 10.224 -2.842 -9.709 1.00 64.13 H new ATOM 0 HE1 TYR A 79 7.856 0.714 -12.145 1.00 55.41 H new ATOM 0 HE2 TYR A 79 9.292 -3.295 -11.935 1.00 11.31 H new ATOM 0 HH TYR A 79 8.375 -2.402 -13.772 1.00 43.51 H new ATOM 1253 N ASN A 80 9.300 -2.287 -5.953 1.00 71.54 N ATOM 1254 CA ASN A 80 8.853 -3.559 -5.396 1.00 30.33 C ATOM 1255 C ASN A 80 7.513 -3.400 -4.684 1.00 31.24 C ATOM 1256 O ASN A 80 6.536 -4.072 -5.018 1.00 61.14 O ATOM 1257 CB ASN A 80 9.898 -4.107 -4.422 1.00 61.41 C ATOM 1258 CG ASN A 80 11.047 -4.794 -5.133 1.00 43.02 C ATOM 1259 OD1 ASN A 80 11.161 -4.730 -6.358 1.00 44.11 O ATOM 1260 ND2 ASN A 80 11.907 -5.457 -4.368 1.00 72.50 N ATOM 0 H ASN A 80 10.261 -2.037 -5.718 1.00 71.54 H new ATOM 0 HA ASN A 80 8.726 -4.263 -6.218 1.00 30.33 H new ATOM 0 HB2 ASN A 80 10.287 -3.291 -3.814 1.00 61.41 H new ATOM 0 HB3 ASN A 80 9.422 -4.813 -3.741 1.00 61.41 H new ATOM 0 HD21 ASN A 80 12.700 -5.939 -4.792 1.00 72.50 H new ATOM 0 HD22 ASN A 80 11.775 -5.484 -3.357 1.00 72.50 H new ATOM 1267 N THR A 81 7.473 -2.506 -3.701 1.00 60.40 N ATOM 1268 CA THR A 81 6.254 -2.259 -2.941 1.00 62.14 C ATOM 1269 C THR A 81 5.159 -1.683 -3.832 1.00 30.03 C ATOM 1270 O THR A 81 4.050 -2.215 -3.892 1.00 20.52 O ATOM 1271 CB THR A 81 6.508 -1.293 -1.769 1.00 41.53 C ATOM 1272 OG1 THR A 81 7.573 -1.787 -0.950 1.00 12.52 O ATOM 1273 CG2 THR A 81 5.252 -1.120 -0.928 1.00 51.24 C ATOM 0 H THR A 81 8.271 -1.941 -3.412 1.00 60.40 H new ATOM 0 HA THR A 81 5.928 -3.221 -2.544 1.00 62.14 H new ATOM 0 HB THR A 81 6.787 -0.323 -2.180 1.00 41.53 H new ATOM 0 HG1 THR A 81 8.426 -1.424 -1.268 1.00 12.52 H new ATOM 0 HG21 THR A 81 5.456 -0.433 -0.106 1.00 51.24 H new ATOM 0 HG22 THR A 81 4.452 -0.716 -1.548 1.00 51.24 H new ATOM 0 HG23 THR A 81 4.947 -2.086 -0.526 1.00 51.24 H new ATOM 1281 N ILE A 82 5.477 -0.594 -4.524 1.00 13.35 N ATOM 1282 CA ILE A 82 4.520 0.053 -5.412 1.00 33.02 C ATOM 1283 C ILE A 82 3.746 -0.977 -6.229 1.00 45.44 C ATOM 1284 O ILE A 82 2.518 -0.933 -6.300 1.00 5.32 O ATOM 1285 CB ILE A 82 5.217 1.036 -6.372 1.00 31.42 C ATOM 1286 CG1 ILE A 82 5.930 2.135 -5.582 1.00 12.13 C ATOM 1287 CG2 ILE A 82 4.208 1.639 -7.337 1.00 63.34 C ATOM 1288 CD1 ILE A 82 6.991 2.861 -6.378 1.00 1.10 C ATOM 0 H ILE A 82 6.390 -0.141 -4.486 1.00 13.35 H new ATOM 0 HA ILE A 82 3.827 0.607 -4.779 1.00 33.02 H new ATOM 0 HB ILE A 82 5.962 0.490 -6.951 1.00 31.42 H new ATOM 0 HG12 ILE A 82 5.192 2.857 -5.233 1.00 12.13 H new ATOM 0 HG13 ILE A 82 6.389 1.695 -4.697 1.00 12.13 H new ATOM 0 HG21 ILE A 82 4.716 2.331 -8.009 1.00 63.34 H new ATOM 0 HG22 ILE A 82 3.742 0.844 -7.920 1.00 63.34 H new ATOM 0 HG23 ILE A 82 3.442 2.174 -6.775 1.00 63.34 H new ATOM 0 HD11 ILE A 82 7.454 3.626 -5.754 1.00 1.10 H new ATOM 0 HD12 ILE A 82 7.750 2.151 -6.705 1.00 1.10 H new ATOM 0 HD13 ILE A 82 6.534 3.331 -7.249 1.00 1.10 H new ATOM 1300 N ALA A 83 4.474 -1.903 -6.846 1.00 3.42 N ATOM 1301 CA ALA A 83 3.857 -2.945 -7.656 1.00 1.03 C ATOM 1302 C ALA A 83 2.703 -3.607 -6.911 1.00 34.43 C ATOM 1303 O ALA A 83 1.565 -3.606 -7.380 1.00 60.44 O ATOM 1304 CB ALA A 83 4.893 -3.983 -8.058 1.00 31.34 C ATOM 0 H ALA A 83 5.492 -1.952 -6.800 1.00 3.42 H new ATOM 0 HA ALA A 83 3.455 -2.481 -8.557 1.00 1.03 H new ATOM 0 HB1 ALA A 83 4.418 -4.756 -8.663 1.00 31.34 H new ATOM 0 HB2 ALA A 83 5.683 -3.504 -8.636 1.00 31.34 H new ATOM 0 HB3 ALA A 83 5.322 -4.435 -7.163 1.00 31.34 H new ATOM 1310 N VAL A 84 3.004 -4.174 -5.746 1.00 53.23 N ATOM 1311 CA VAL A 84 1.991 -4.840 -4.936 1.00 4.35 C ATOM 1312 C VAL A 84 0.765 -3.953 -4.750 1.00 53.23 C ATOM 1313 O VAL A 84 -0.370 -4.404 -4.905 1.00 31.32 O ATOM 1314 CB VAL A 84 2.546 -5.227 -3.551 1.00 71.33 C ATOM 1315 CG1 VAL A 84 1.495 -5.976 -2.746 1.00 12.34 C ATOM 1316 CG2 VAL A 84 3.810 -6.060 -3.698 1.00 43.35 C ATOM 0 H VAL A 84 3.941 -4.185 -5.343 1.00 53.23 H new ATOM 0 HA VAL A 84 1.703 -5.745 -5.470 1.00 4.35 H new ATOM 0 HB VAL A 84 2.800 -4.314 -3.012 1.00 71.33 H new ATOM 0 HG11 VAL A 84 1.904 -6.241 -1.771 1.00 12.34 H new ATOM 0 HG12 VAL A 84 0.619 -5.341 -2.611 1.00 12.34 H new ATOM 0 HG13 VAL A 84 1.207 -6.883 -3.278 1.00 12.34 H new ATOM 0 HG21 VAL A 84 4.188 -6.324 -2.711 1.00 43.35 H new ATOM 0 HG22 VAL A 84 3.584 -6.969 -4.255 1.00 43.35 H new ATOM 0 HG23 VAL A 84 4.565 -5.484 -4.234 1.00 43.35 H new ATOM 1326 N LEU A 85 1.001 -2.689 -4.418 1.00 10.54 N ATOM 1327 CA LEU A 85 -0.085 -1.736 -4.212 1.00 30.05 C ATOM 1328 C LEU A 85 -1.067 -1.770 -5.377 1.00 51.23 C ATOM 1329 O LEU A 85 -2.234 -1.404 -5.230 1.00 63.02 O ATOM 1330 CB LEU A 85 0.476 -0.323 -4.043 1.00 73.52 C ATOM 1331 CG LEU A 85 -0.152 0.519 -2.933 1.00 11.25 C ATOM 1332 CD1 LEU A 85 0.919 1.044 -1.988 1.00 70.55 C ATOM 1333 CD2 LEU A 85 -0.954 1.670 -3.524 1.00 4.45 C ATOM 0 H LEU A 85 1.934 -2.300 -4.286 1.00 10.54 H new ATOM 0 HA LEU A 85 -0.618 -2.020 -3.304 1.00 30.05 H new ATOM 0 HB2 LEU A 85 1.547 -0.399 -3.853 1.00 73.52 H new ATOM 0 HB3 LEU A 85 0.357 0.209 -4.987 1.00 73.52 H new ATOM 0 HG LEU A 85 -0.831 -0.116 -2.363 1.00 11.25 H new ATOM 0 HD11 LEU A 85 0.452 1.641 -1.205 1.00 70.55 H new ATOM 0 HD12 LEU A 85 1.450 0.205 -1.537 1.00 70.55 H new ATOM 0 HD13 LEU A 85 1.624 1.662 -2.544 1.00 70.55 H new ATOM 0 HD21 LEU A 85 -1.394 2.258 -2.719 1.00 4.45 H new ATOM 0 HD22 LEU A 85 -0.297 2.304 -4.119 1.00 4.45 H new ATOM 0 HD23 LEU A 85 -1.747 1.273 -4.158 1.00 4.45 H new ATOM 1345 N TYR A 86 -0.589 -2.214 -6.534 1.00 72.05 N ATOM 1346 CA TYR A 86 -1.426 -2.296 -7.727 1.00 13.03 C ATOM 1347 C TYR A 86 -2.242 -3.584 -7.732 1.00 31.54 C ATOM 1348 O TYR A 86 -3.452 -3.565 -7.959 1.00 13.34 O ATOM 1349 CB TYR A 86 -0.563 -2.221 -8.987 1.00 53.50 C ATOM 1350 CG TYR A 86 -1.361 -2.272 -10.270 1.00 44.23 C ATOM 1351 CD1 TYR A 86 -1.970 -1.131 -10.779 1.00 31.33 C ATOM 1352 CD2 TYR A 86 -1.504 -3.460 -10.976 1.00 62.10 C ATOM 1353 CE1 TYR A 86 -2.700 -1.173 -11.951 1.00 2.24 C ATOM 1354 CE2 TYR A 86 -2.231 -3.512 -12.150 1.00 4.23 C ATOM 1355 CZ TYR A 86 -2.827 -2.365 -12.633 1.00 32.05 C ATOM 1356 OH TYR A 86 -3.552 -2.411 -13.801 1.00 62.12 O ATOM 0 H TYR A 86 0.373 -2.523 -6.672 1.00 72.05 H new ATOM 0 HA TYR A 86 -2.115 -1.451 -7.716 1.00 13.03 H new ATOM 0 HB2 TYR A 86 0.017 -1.298 -8.966 1.00 53.50 H new ATOM 0 HB3 TYR A 86 0.150 -3.046 -8.979 1.00 53.50 H new ATOM 0 HD1 TYR A 86 -1.871 -0.195 -10.249 1.00 31.33 H new ATOM 0 HD2 TYR A 86 -1.038 -4.359 -10.600 1.00 62.10 H new ATOM 0 HE1 TYR A 86 -3.169 -0.277 -12.331 1.00 2.24 H new ATOM 0 HE2 TYR A 86 -2.332 -4.444 -12.686 1.00 4.23 H new ATOM 0 HH TYR A 86 -3.542 -3.324 -14.156 1.00 62.12 H new ATOM 1366 N CYS A 87 -1.571 -4.703 -7.479 1.00 73.31 N ATOM 1367 CA CYS A 87 -2.233 -6.003 -7.454 1.00 15.51 C ATOM 1368 C CYS A 87 -3.256 -6.070 -6.325 1.00 53.12 C ATOM 1369 O CYS A 87 -4.212 -6.844 -6.385 1.00 60.25 O ATOM 1370 CB CYS A 87 -1.202 -7.120 -7.291 1.00 52.33 C ATOM 1371 SG CYS A 87 -0.544 -7.279 -5.614 1.00 43.34 S ATOM 0 H CYS A 87 -0.570 -4.736 -7.288 1.00 73.31 H new ATOM 0 HA CYS A 87 -2.755 -6.136 -8.402 1.00 15.51 H new ATOM 0 HB2 CYS A 87 -1.658 -8.066 -7.582 1.00 52.33 H new ATOM 0 HB3 CYS A 87 -0.376 -6.940 -7.978 1.00 52.33 H new ATOM 0 HG CYS A 87 -0.403 -6.098 -5.089 1.00 43.34 H new ATOM 1377 N VAL A 88 -3.050 -5.254 -5.296 1.00 70.44 N ATOM 1378 CA VAL A 88 -3.954 -5.222 -4.153 1.00 23.33 C ATOM 1379 C VAL A 88 -5.286 -4.579 -4.524 1.00 3.21 C ATOM 1380 O VAL A 88 -6.334 -4.942 -3.989 1.00 23.41 O ATOM 1381 CB VAL A 88 -3.336 -4.452 -2.971 1.00 11.13 C ATOM 1382 CG1 VAL A 88 -4.279 -4.460 -1.777 1.00 30.24 C ATOM 1383 CG2 VAL A 88 -1.985 -5.045 -2.597 1.00 43.55 C ATOM 0 H VAL A 88 -2.265 -4.606 -5.231 1.00 70.44 H new ATOM 0 HA VAL A 88 -4.124 -6.256 -3.854 1.00 23.33 H new ATOM 0 HB VAL A 88 -3.182 -3.417 -3.275 1.00 11.13 H new ATOM 0 HG11 VAL A 88 -3.826 -3.911 -0.952 1.00 30.24 H new ATOM 0 HG12 VAL A 88 -5.221 -3.986 -2.054 1.00 30.24 H new ATOM 0 HG13 VAL A 88 -4.467 -5.488 -1.469 1.00 30.24 H new ATOM 0 HG21 VAL A 88 -1.563 -4.489 -1.760 1.00 43.55 H new ATOM 0 HG22 VAL A 88 -2.112 -6.089 -2.311 1.00 43.55 H new ATOM 0 HG23 VAL A 88 -1.311 -4.982 -3.451 1.00 43.55 H new ATOM 1393 N HIS A 89 -5.238 -3.620 -5.443 1.00 62.13 N ATOM 1394 CA HIS A 89 -6.441 -2.925 -5.888 1.00 72.15 C ATOM 1395 C HIS A 89 -7.067 -3.637 -7.084 1.00 72.04 C ATOM 1396 O HIS A 89 -8.289 -3.790 -7.073 1.00 43.54 O ATOM 1397 CB HIS A 89 -6.114 -1.478 -6.257 1.00 2.52 C ATOM 1398 CG HIS A 89 -5.481 -0.704 -5.140 1.00 12.23 C ATOM 1399 ND1 HIS A 89 -5.812 -0.890 -3.814 1.00 51.25 N ATOM 1400 CD2 HIS A 89 -4.533 0.261 -5.157 1.00 50.43 C ATOM 1401 CE1 HIS A 89 -5.095 -0.072 -3.065 1.00 22.24 C ATOM 1402 NE2 HIS A 89 -4.310 0.637 -3.856 1.00 12.31 N ATOM 0 H HIS A 89 -4.379 -3.306 -5.894 1.00 62.13 H new ATOM 0 HA HIS A 89 -7.158 -2.929 -5.067 1.00 72.15 H new ATOM 0 HB2 HIS A 89 -5.444 -1.473 -7.117 1.00 2.52 H new ATOM 0 HB3 HIS A 89 -7.030 -0.974 -6.564 1.00 2.52 H new ATOM 0 HD2 HIS A 89 -4.043 0.661 -6.032 1.00 50.43 H new ATOM 0 HE1 HIS A 89 -5.142 0.004 -1.989 1.00 22.24 H new ATOM 0 HE2 HIS A 89 -3.646 1.348 -3.550 1.00 12.31 H new ATOM 1411 N GLN A 90 -6.293 -4.059 -8.078 1.00 21.23 N ATOM 1412 CA GLN A 90 -6.847 -4.744 -9.241 1.00 1.34 C ATOM 1413 C GLN A 90 -7.200 -6.189 -8.905 1.00 4.04 C ATOM 1414 O GLN A 90 -7.670 -6.938 -9.760 1.00 53.24 O ATOM 1415 CB GLN A 90 -5.854 -4.705 -10.402 1.00 42.34 C ATOM 1416 CG GLN A 90 -6.496 -4.938 -11.760 1.00 55.00 C ATOM 1417 CD GLN A 90 -7.196 -3.703 -12.295 1.00 61.34 C ATOM 1418 OE1 GLN A 90 -6.638 -2.606 -12.283 1.00 21.20 O ATOM 1419 NE2 GLN A 90 -8.424 -3.877 -12.769 1.00 13.22 N ATOM 0 H GLN A 90 -5.280 -3.939 -8.102 1.00 21.23 H new ATOM 0 HA GLN A 90 -7.760 -4.226 -9.536 1.00 1.34 H new ATOM 0 HB2 GLN A 90 -5.352 -3.737 -10.408 1.00 42.34 H new ATOM 0 HB3 GLN A 90 -5.086 -5.461 -10.238 1.00 42.34 H new ATOM 0 HG2 GLN A 90 -5.731 -5.254 -12.470 1.00 55.00 H new ATOM 0 HG3 GLN A 90 -7.215 -5.754 -11.683 1.00 55.00 H new ATOM 0 HE21 GLN A 90 -8.848 -4.805 -12.759 1.00 13.22 H new ATOM 0 HE22 GLN A 90 -8.944 -3.083 -13.143 1.00 13.22 H new ATOM 1428 N ARG A 91 -6.967 -6.574 -7.655 1.00 35.25 N ATOM 1429 CA ARG A 91 -7.258 -7.931 -7.207 1.00 34.23 C ATOM 1430 C ARG A 91 -6.451 -8.951 -8.003 1.00 74.43 C ATOM 1431 O ARG A 91 -6.989 -9.958 -8.464 1.00 75.51 O ATOM 1432 CB ARG A 91 -8.753 -8.226 -7.345 1.00 22.13 C ATOM 1433 CG ARG A 91 -9.206 -9.453 -6.569 1.00 52.22 C ATOM 1434 CD ARG A 91 -10.230 -9.093 -5.506 1.00 13.32 C ATOM 1435 NE ARG A 91 -10.849 -10.277 -4.917 1.00 63.13 N ATOM 1436 CZ ARG A 91 -11.992 -10.251 -4.239 1.00 44.13 C ATOM 1437 NH1 ARG A 91 -12.637 -9.105 -4.066 1.00 20.51 N ATOM 1438 NH2 ARG A 91 -12.491 -11.372 -3.734 1.00 25.01 N ATOM 0 H ARG A 91 -6.578 -5.966 -6.934 1.00 35.25 H new ATOM 0 HA ARG A 91 -6.975 -8.010 -6.157 1.00 34.23 H new ATOM 0 HB2 ARG A 91 -9.319 -7.360 -7.002 1.00 22.13 H new ATOM 0 HB3 ARG A 91 -8.992 -8.365 -8.399 1.00 22.13 H new ATOM 0 HG2 ARG A 91 -9.635 -10.182 -7.257 1.00 52.22 H new ATOM 0 HG3 ARG A 91 -8.344 -9.927 -6.100 1.00 52.22 H new ATOM 0 HD2 ARG A 91 -9.748 -8.508 -4.722 1.00 13.32 H new ATOM 0 HD3 ARG A 91 -11.002 -8.462 -5.946 1.00 13.32 H new ATOM 0 HE ARG A 91 -10.378 -11.174 -5.032 1.00 63.13 H new ATOM 0 HH11 ARG A 91 -12.256 -8.242 -4.454 1.00 20.51 H new ATOM 0 HH12 ARG A 91 -13.514 -9.087 -3.545 1.00 20.51 H new ATOM 0 HH21 ARG A 91 -11.997 -12.255 -3.866 1.00 25.01 H new ATOM 0 HH22 ARG A 91 -13.368 -11.351 -3.214 1.00 25.01 H new ATOM 1452 N ILE A 92 -5.160 -8.684 -8.161 1.00 53.34 N ATOM 1453 CA ILE A 92 -4.279 -9.579 -8.902 1.00 12.11 C ATOM 1454 C ILE A 92 -3.509 -10.496 -7.958 1.00 3.21 C ATOM 1455 O ILE A 92 -2.647 -10.044 -7.203 1.00 23.13 O ATOM 1456 CB ILE A 92 -3.278 -8.793 -9.769 1.00 62.00 C ATOM 1457 CG1 ILE A 92 -4.022 -7.915 -10.778 1.00 24.32 C ATOM 1458 CG2 ILE A 92 -2.334 -9.748 -10.483 1.00 62.41 C ATOM 1459 CD1 ILE A 92 -3.168 -6.814 -11.365 1.00 44.41 C ATOM 0 H ILE A 92 -4.700 -7.855 -7.786 1.00 53.34 H new ATOM 0 HA ILE A 92 -4.914 -10.181 -9.552 1.00 12.11 H new ATOM 0 HB ILE A 92 -2.687 -8.146 -9.121 1.00 62.00 H new ATOM 0 HG12 ILE A 92 -4.398 -8.543 -11.586 1.00 24.32 H new ATOM 0 HG13 ILE A 92 -4.889 -7.470 -10.290 1.00 24.32 H new ATOM 0 HG21 ILE A 92 -1.632 -9.178 -11.092 1.00 62.41 H new ATOM 0 HG22 ILE A 92 -1.783 -10.334 -9.747 1.00 62.41 H new ATOM 0 HG23 ILE A 92 -2.909 -10.418 -11.123 1.00 62.41 H new ATOM 0 HD11 ILE A 92 -3.760 -6.232 -12.071 1.00 44.41 H new ATOM 0 HD12 ILE A 92 -2.814 -6.163 -10.566 1.00 44.41 H new ATOM 0 HD13 ILE A 92 -2.314 -7.252 -11.882 1.00 44.41 H new ATOM 1471 N ASP A 93 -3.822 -11.785 -8.008 1.00 74.34 N ATOM 1472 CA ASP A 93 -3.157 -12.768 -7.160 1.00 42.23 C ATOM 1473 C ASP A 93 -1.641 -12.618 -7.241 1.00 72.22 C ATOM 1474 O ASP A 93 -1.081 -12.447 -8.324 1.00 43.24 O ATOM 1475 CB ASP A 93 -3.564 -14.184 -7.567 1.00 54.20 C ATOM 1476 CG ASP A 93 -4.963 -14.540 -7.102 1.00 32.45 C ATOM 1477 OD1 ASP A 93 -5.375 -14.047 -6.031 1.00 21.42 O ATOM 1478 OD2 ASP A 93 -5.645 -15.314 -7.807 1.00 3.41 O ATOM 0 H ASP A 93 -4.533 -12.175 -8.627 1.00 74.34 H new ATOM 0 HA ASP A 93 -3.467 -12.592 -6.130 1.00 42.23 H new ATOM 0 HB2 ASP A 93 -3.510 -14.277 -8.652 1.00 54.20 H new ATOM 0 HB3 ASP A 93 -2.853 -14.897 -7.150 1.00 54.20 H new ATOM 1483 N VAL A 94 -0.981 -12.682 -6.089 1.00 74.01 N ATOM 1484 CA VAL A 94 0.470 -12.554 -6.030 1.00 54.41 C ATOM 1485 C VAL A 94 1.040 -13.315 -4.838 1.00 44.02 C ATOM 1486 O VAL A 94 0.503 -13.253 -3.732 1.00 70.30 O ATOM 1487 CB VAL A 94 0.899 -11.078 -5.935 1.00 62.23 C ATOM 1488 CG1 VAL A 94 0.597 -10.349 -7.236 1.00 32.10 C ATOM 1489 CG2 VAL A 94 0.211 -10.397 -4.761 1.00 50.32 C ATOM 0 H VAL A 94 -1.429 -12.822 -5.183 1.00 74.01 H new ATOM 0 HA VAL A 94 0.864 -12.981 -6.952 1.00 54.41 H new ATOM 0 HB VAL A 94 1.975 -11.041 -5.767 1.00 62.23 H new ATOM 0 HG11 VAL A 94 0.907 -9.308 -7.150 1.00 32.10 H new ATOM 0 HG12 VAL A 94 1.141 -10.823 -8.053 1.00 32.10 H new ATOM 0 HG13 VAL A 94 -0.473 -10.394 -7.438 1.00 32.10 H new ATOM 0 HG21 VAL A 94 0.526 -9.355 -4.709 1.00 50.32 H new ATOM 0 HG22 VAL A 94 -0.870 -10.443 -4.896 1.00 50.32 H new ATOM 0 HG23 VAL A 94 0.483 -10.905 -3.836 1.00 50.32 H new ATOM 1499 N LYS A 95 2.133 -14.034 -5.071 1.00 13.31 N ATOM 1500 CA LYS A 95 2.779 -14.806 -4.017 1.00 64.45 C ATOM 1501 C LYS A 95 4.082 -14.144 -3.578 1.00 74.33 C ATOM 1502 O LYS A 95 4.711 -14.573 -2.611 1.00 24.23 O ATOM 1503 CB LYS A 95 3.057 -16.233 -4.500 1.00 3.31 C ATOM 1504 CG LYS A 95 1.877 -17.172 -4.333 1.00 13.13 C ATOM 1505 CD LYS A 95 2.294 -18.481 -3.684 1.00 34.30 C ATOM 1506 CE LYS A 95 2.056 -18.460 -2.182 1.00 34.53 C ATOM 1507 NZ LYS A 95 2.702 -19.616 -1.501 1.00 22.34 N ATOM 0 H LYS A 95 2.590 -14.098 -5.981 1.00 13.31 H new ATOM 0 HA LYS A 95 2.104 -14.842 -3.162 1.00 64.45 H new ATOM 0 HB2 LYS A 95 3.340 -16.203 -5.552 1.00 3.31 H new ATOM 0 HB3 LYS A 95 3.910 -16.634 -3.952 1.00 3.31 H new ATOM 0 HG2 LYS A 95 1.111 -16.691 -3.725 1.00 13.13 H new ATOM 0 HG3 LYS A 95 1.430 -17.374 -5.307 1.00 13.13 H new ATOM 0 HD2 LYS A 95 1.735 -19.304 -4.130 1.00 34.30 H new ATOM 0 HD3 LYS A 95 3.349 -18.667 -3.884 1.00 34.30 H new ATOM 0 HE2 LYS A 95 2.444 -17.530 -1.766 1.00 34.53 H new ATOM 0 HE3 LYS A 95 0.984 -18.475 -1.984 1.00 34.53 H new ATOM 0 HZ1 LYS A 95 2.516 -19.565 -0.479 1.00 22.34 H new ATOM 0 HZ2 LYS A 95 2.313 -20.503 -1.880 1.00 22.34 H new ATOM 0 HZ3 LYS A 95 3.728 -19.588 -1.668 1.00 22.34 H new ATOM 1521 N ASP A 96 4.479 -13.098 -4.293 1.00 74.12 N ATOM 1522 CA ASP A 96 5.705 -12.376 -3.975 1.00 54.42 C ATOM 1523 C ASP A 96 5.833 -11.121 -4.833 1.00 45.43 C ATOM 1524 O ASP A 96 5.096 -10.939 -5.802 1.00 64.15 O ATOM 1525 CB ASP A 96 6.923 -13.278 -4.182 1.00 52.42 C ATOM 1526 CG ASP A 96 6.813 -14.118 -5.439 1.00 24.01 C ATOM 1527 OD1 ASP A 96 6.974 -13.559 -6.544 1.00 71.21 O ATOM 1528 OD2 ASP A 96 6.567 -15.337 -5.318 1.00 12.04 O ATOM 0 H ASP A 96 3.970 -12.731 -5.097 1.00 74.12 H new ATOM 0 HA ASP A 96 5.660 -12.076 -2.928 1.00 54.42 H new ATOM 0 HB2 ASP A 96 7.822 -12.664 -4.236 1.00 52.42 H new ATOM 0 HB3 ASP A 96 7.037 -13.934 -3.319 1.00 52.42 H new ATOM 1533 N THR A 97 6.776 -10.255 -4.470 1.00 63.51 N ATOM 1534 CA THR A 97 7.001 -9.018 -5.206 1.00 14.44 C ATOM 1535 C THR A 97 6.924 -9.249 -6.710 1.00 42.40 C ATOM 1536 O THR A 97 6.045 -8.715 -7.387 1.00 70.15 O ATOM 1537 CB THR A 97 8.369 -8.400 -4.861 1.00 42.23 C ATOM 1538 OG1 THR A 97 8.326 -7.808 -3.558 1.00 24.51 O ATOM 1539 CG2 THR A 97 8.763 -7.349 -5.888 1.00 53.11 C ATOM 0 H THR A 97 7.395 -10.389 -3.671 1.00 63.51 H new ATOM 0 HA THR A 97 6.213 -8.326 -4.908 1.00 14.44 H new ATOM 0 HB THR A 97 9.115 -9.195 -4.873 1.00 42.23 H new ATOM 0 HG1 THR A 97 9.012 -8.217 -2.990 1.00 24.51 H new ATOM 0 HG21 THR A 97 9.732 -6.927 -5.623 1.00 53.11 H new ATOM 0 HG22 THR A 97 8.825 -7.809 -6.874 1.00 53.11 H new ATOM 0 HG23 THR A 97 8.014 -6.557 -5.904 1.00 53.11 H new ATOM 1547 N LYS A 98 7.850 -10.049 -7.228 1.00 54.04 N ATOM 1548 CA LYS A 98 7.886 -10.354 -8.654 1.00 4.32 C ATOM 1549 C LYS A 98 6.497 -10.717 -9.168 1.00 62.23 C ATOM 1550 O LYS A 98 6.022 -10.147 -10.150 1.00 51.12 O ATOM 1551 CB LYS A 98 8.859 -11.503 -8.925 1.00 22.33 C ATOM 1552 CG LYS A 98 9.517 -11.434 -10.292 1.00 5.13 C ATOM 1553 CD LYS A 98 9.156 -12.635 -11.148 1.00 34.30 C ATOM 1554 CE LYS A 98 10.173 -12.858 -12.257 1.00 50.43 C ATOM 1555 NZ LYS A 98 10.105 -14.241 -12.803 1.00 3.32 N ATOM 0 H LYS A 98 8.585 -10.498 -6.682 1.00 54.04 H new ATOM 0 HA LYS A 98 8.228 -9.464 -9.183 1.00 4.32 H new ATOM 0 HB2 LYS A 98 9.633 -11.501 -8.158 1.00 22.33 H new ATOM 0 HB3 LYS A 98 8.325 -12.449 -8.836 1.00 22.33 H new ATOM 0 HG2 LYS A 98 9.209 -10.520 -10.799 1.00 5.13 H new ATOM 0 HG3 LYS A 98 10.599 -11.383 -10.173 1.00 5.13 H new ATOM 0 HD2 LYS A 98 9.099 -13.525 -10.521 1.00 34.30 H new ATOM 0 HD3 LYS A 98 8.168 -12.488 -11.584 1.00 34.30 H new ATOM 0 HE2 LYS A 98 9.998 -12.142 -13.060 1.00 50.43 H new ATOM 0 HE3 LYS A 98 11.176 -12.668 -11.874 1.00 50.43 H new ATOM 0 HZ1 LYS A 98 10.814 -14.352 -13.556 1.00 3.32 H new ATOM 0 HZ2 LYS A 98 10.298 -14.924 -12.043 1.00 3.32 H new ATOM 0 HZ3 LYS A 98 9.156 -14.414 -13.192 1.00 3.32 H new ATOM 1569 N GLU A 99 5.853 -11.668 -8.499 1.00 50.34 N ATOM 1570 CA GLU A 99 4.517 -12.104 -8.890 1.00 64.21 C ATOM 1571 C GLU A 99 3.623 -10.908 -9.201 1.00 33.03 C ATOM 1572 O GLU A 99 2.804 -10.954 -10.118 1.00 52.52 O ATOM 1573 CB GLU A 99 3.889 -12.953 -7.782 1.00 2.40 C ATOM 1574 CG GLU A 99 3.312 -14.268 -8.275 1.00 64.34 C ATOM 1575 CD GLU A 99 4.150 -15.463 -7.866 1.00 22.24 C ATOM 1576 OE1 GLU A 99 5.361 -15.281 -7.617 1.00 21.21 O ATOM 1577 OE2 GLU A 99 3.597 -16.581 -7.793 1.00 11.23 O ATOM 0 H GLU A 99 6.234 -12.151 -7.685 1.00 50.34 H new ATOM 0 HA GLU A 99 4.609 -12.709 -9.792 1.00 64.21 H new ATOM 0 HB2 GLU A 99 4.643 -13.159 -7.022 1.00 2.40 H new ATOM 0 HB3 GLU A 99 3.099 -12.378 -7.299 1.00 2.40 H new ATOM 0 HG2 GLU A 99 2.302 -14.387 -7.883 1.00 64.34 H new ATOM 0 HG3 GLU A 99 3.232 -14.240 -9.362 1.00 64.34 H new ATOM 1584 N ALA A 100 3.785 -9.840 -8.427 1.00 41.23 N ATOM 1585 CA ALA A 100 2.993 -8.631 -8.620 1.00 10.41 C ATOM 1586 C ALA A 100 3.535 -7.797 -9.775 1.00 63.20 C ATOM 1587 O ALA A 100 2.772 -7.257 -10.577 1.00 70.33 O ATOM 1588 CB ALA A 100 2.966 -7.808 -7.340 1.00 4.13 C ATOM 0 H ALA A 100 4.457 -9.787 -7.661 1.00 41.23 H new ATOM 0 HA ALA A 100 1.975 -8.930 -8.869 1.00 10.41 H new ATOM 0 HB1 ALA A 100 2.371 -6.908 -7.498 1.00 4.13 H new ATOM 0 HB2 ALA A 100 2.524 -8.398 -6.537 1.00 4.13 H new ATOM 0 HB3 ALA A 100 3.983 -7.527 -7.067 1.00 4.13 H new ATOM 1594 N LEU A 101 4.858 -7.696 -9.856 1.00 74.12 N ATOM 1595 CA LEU A 101 5.502 -6.927 -10.914 1.00 41.55 C ATOM 1596 C LEU A 101 5.164 -7.500 -12.287 1.00 63.15 C ATOM 1597 O LEU A 101 4.606 -6.808 -13.139 1.00 34.33 O ATOM 1598 CB LEU A 101 7.018 -6.916 -10.713 1.00 2.12 C ATOM 1599 CG LEU A 101 7.735 -5.614 -11.073 1.00 62.35 C ATOM 1600 CD1 LEU A 101 7.191 -5.050 -12.376 1.00 45.24 C ATOM 1601 CD2 LEU A 101 7.594 -4.598 -9.950 1.00 34.52 C ATOM 0 H LEU A 101 5.504 -8.137 -9.202 1.00 74.12 H new ATOM 0 HA LEU A 101 5.128 -5.904 -10.865 1.00 41.55 H new ATOM 0 HB2 LEU A 101 7.227 -7.145 -9.668 1.00 2.12 H new ATOM 0 HB3 LEU A 101 7.449 -7.721 -11.308 1.00 2.12 H new ATOM 0 HG LEU A 101 8.795 -5.830 -11.208 1.00 62.35 H new ATOM 0 HD11 LEU A 101 7.712 -4.124 -12.617 1.00 45.24 H new ATOM 0 HD12 LEU A 101 7.345 -5.772 -13.178 1.00 45.24 H new ATOM 0 HD13 LEU A 101 6.125 -4.849 -12.269 1.00 45.24 H new ATOM 0 HD21 LEU A 101 8.111 -3.678 -10.224 1.00 34.52 H new ATOM 0 HD22 LEU A 101 6.538 -4.385 -9.782 1.00 34.52 H new ATOM 0 HD23 LEU A 101 8.032 -5.002 -9.037 1.00 34.52 H new ATOM 1613 N ASP A 102 5.506 -8.767 -12.494 1.00 52.51 N ATOM 1614 CA ASP A 102 5.236 -9.435 -13.761 1.00 55.34 C ATOM 1615 C ASP A 102 3.769 -9.282 -14.155 1.00 1.35 C ATOM 1616 O ASP A 102 3.450 -9.011 -15.312 1.00 40.40 O ATOM 1617 CB ASP A 102 5.600 -10.917 -13.670 1.00 42.02 C ATOM 1618 CG ASP A 102 6.892 -11.241 -14.392 1.00 24.41 C ATOM 1619 OD1 ASP A 102 7.019 -10.871 -15.578 1.00 42.12 O ATOM 1620 OD2 ASP A 102 7.779 -11.863 -13.771 1.00 73.40 O ATOM 0 H ASP A 102 5.971 -9.352 -11.800 1.00 52.51 H new ATOM 0 HA ASP A 102 5.851 -8.965 -14.528 1.00 55.34 H new ATOM 0 HB2 ASP A 102 5.692 -11.202 -12.622 1.00 42.02 H new ATOM 0 HB3 ASP A 102 4.792 -11.513 -14.093 1.00 42.02 H new ATOM 1625 N LYS A 103 2.880 -9.460 -13.184 1.00 13.04 N ATOM 1626 CA LYS A 103 1.447 -9.342 -13.426 1.00 13.21 C ATOM 1627 C LYS A 103 1.114 -8.003 -14.075 1.00 40.24 C ATOM 1628 O LYS A 103 0.111 -7.877 -14.778 1.00 12.41 O ATOM 1629 CB LYS A 103 0.673 -9.492 -12.115 1.00 32.34 C ATOM 1630 CG LYS A 103 0.385 -10.936 -11.740 1.00 53.30 C ATOM 1631 CD LYS A 103 -0.613 -11.571 -12.694 1.00 12.40 C ATOM 1632 CE LYS A 103 -0.308 -13.044 -12.922 1.00 44.21 C ATOM 1633 NZ LYS A 103 -0.795 -13.892 -11.799 1.00 14.01 N ATOM 0 H LYS A 103 3.127 -9.687 -12.221 1.00 13.04 H new ATOM 0 HA LYS A 103 1.152 -10.140 -14.108 1.00 13.21 H new ATOM 0 HB2 LYS A 103 1.241 -9.023 -11.312 1.00 32.34 H new ATOM 0 HB3 LYS A 103 -0.270 -8.951 -12.196 1.00 32.34 H new ATOM 0 HG2 LYS A 103 1.313 -11.507 -11.749 1.00 53.30 H new ATOM 0 HG3 LYS A 103 -0.005 -10.978 -10.723 1.00 53.30 H new ATOM 0 HD2 LYS A 103 -1.620 -11.465 -12.292 1.00 12.40 H new ATOM 0 HD3 LYS A 103 -0.593 -11.043 -13.647 1.00 12.40 H new ATOM 0 HE2 LYS A 103 -0.773 -13.371 -13.852 1.00 44.21 H new ATOM 0 HE3 LYS A 103 0.767 -13.178 -13.039 1.00 44.21 H new ATOM 0 HZ1 LYS A 103 -0.568 -14.888 -11.993 1.00 14.01 H new ATOM 0 HZ2 LYS A 103 -0.333 -13.597 -10.915 1.00 14.01 H new ATOM 0 HZ3 LYS A 103 -1.825 -13.784 -11.704 1.00 14.01 H new ATOM 1647 N ILE A 104 1.961 -7.007 -13.836 1.00 72.40 N ATOM 1648 CA ILE A 104 1.756 -5.679 -14.401 1.00 1.02 C ATOM 1649 C ILE A 104 2.421 -5.554 -15.766 1.00 52.45 C ATOM 1650 O ILE A 104 1.994 -4.760 -16.605 1.00 4.24 O ATOM 1651 CB ILE A 104 2.307 -4.582 -13.471 1.00 63.11 C ATOM 1652 CG1 ILE A 104 1.613 -4.641 -12.108 1.00 43.14 C ATOM 1653 CG2 ILE A 104 2.126 -3.211 -14.105 1.00 14.34 C ATOM 1654 CD1 ILE A 104 2.282 -3.789 -11.053 1.00 21.23 C ATOM 0 H ILE A 104 2.795 -7.095 -13.255 1.00 72.40 H new ATOM 0 HA ILE A 104 0.680 -5.545 -14.511 1.00 1.02 H new ATOM 0 HB ILE A 104 3.373 -4.754 -13.322 1.00 63.11 H new ATOM 0 HG12 ILE A 104 0.578 -4.318 -12.222 1.00 43.14 H new ATOM 0 HG13 ILE A 104 1.588 -5.676 -11.766 1.00 43.14 H new ATOM 0 HG21 ILE A 104 2.520 -2.446 -13.436 1.00 14.34 H new ATOM 0 HG22 ILE A 104 2.662 -3.175 -15.053 1.00 14.34 H new ATOM 0 HG23 ILE A 104 1.066 -3.028 -14.280 1.00 14.34 H new ATOM 0 HD11 ILE A 104 1.737 -3.879 -10.113 1.00 21.23 H new ATOM 0 HD12 ILE A 104 3.309 -4.126 -10.911 1.00 21.23 H new ATOM 0 HD13 ILE A 104 2.283 -2.747 -11.373 1.00 21.23 H new ATOM 1666 N GLU A 105 3.468 -6.343 -15.984 1.00 72.41 N ATOM 1667 CA GLU A 105 4.192 -6.321 -17.250 1.00 51.33 C ATOM 1668 C GLU A 105 3.453 -7.128 -18.313 1.00 50.24 C ATOM 1669 O GLU A 105 3.423 -6.750 -19.484 1.00 14.23 O ATOM 1670 CB GLU A 105 5.605 -6.875 -17.065 1.00 3.01 C ATOM 1671 CG GLU A 105 6.448 -6.831 -18.329 1.00 55.10 C ATOM 1672 CD GLU A 105 7.936 -6.805 -18.039 1.00 53.31 C ATOM 1673 OE1 GLU A 105 8.357 -7.427 -17.043 1.00 24.25 O ATOM 1674 OE2 GLU A 105 8.678 -6.160 -18.810 1.00 35.25 O ATOM 0 H GLU A 105 3.834 -7.006 -15.300 1.00 72.41 H new ATOM 0 HA GLU A 105 4.257 -5.285 -17.584 1.00 51.33 H new ATOM 0 HB2 GLU A 105 6.109 -6.307 -16.283 1.00 3.01 H new ATOM 0 HB3 GLU A 105 5.539 -7.906 -16.718 1.00 3.01 H new ATOM 0 HG2 GLU A 105 6.217 -7.700 -18.945 1.00 55.10 H new ATOM 0 HG3 GLU A 105 6.180 -5.948 -18.909 1.00 55.10 H new ATOM 1681 N GLU A 106 2.858 -8.241 -17.896 1.00 24.30 N ATOM 1682 CA GLU A 106 2.120 -9.103 -18.813 1.00 4.40 C ATOM 1683 C GLU A 106 0.940 -8.357 -19.430 1.00 21.44 C ATOM 1684 O GLU A 106 0.682 -8.465 -20.627 1.00 32.50 O ATOM 1685 CB GLU A 106 1.624 -10.354 -18.085 1.00 43.31 C ATOM 1686 CG GLU A 106 1.048 -11.409 -19.014 1.00 75.02 C ATOM 1687 CD GLU A 106 2.044 -12.503 -19.344 1.00 73.42 C ATOM 1688 OE1 GLU A 106 3.260 -12.256 -19.218 1.00 4.35 O ATOM 1689 OE2 GLU A 106 1.604 -13.607 -19.731 1.00 24.24 O ATOM 0 H GLU A 106 2.872 -8.567 -16.930 1.00 24.30 H new ATOM 0 HA GLU A 106 2.796 -9.403 -19.614 1.00 4.40 H new ATOM 0 HB2 GLU A 106 2.450 -10.789 -17.523 1.00 43.31 H new ATOM 0 HB3 GLU A 106 0.863 -10.065 -17.360 1.00 43.31 H new ATOM 0 HG2 GLU A 106 0.167 -11.853 -18.551 1.00 75.02 H new ATOM 0 HG3 GLU A 106 0.718 -10.933 -19.937 1.00 75.02 H new ATOM 1696 N GLU A 107 0.228 -7.601 -18.599 1.00 43.44 N ATOM 1697 CA GLU A 107 -0.926 -6.839 -19.063 1.00 2.54 C ATOM 1698 C GLU A 107 -0.534 -5.892 -20.194 1.00 52.40 C ATOM 1699 O GLU A 107 -1.353 -5.560 -21.050 1.00 1.33 O ATOM 1700 CB GLU A 107 -1.537 -6.045 -17.907 1.00 13.33 C ATOM 1701 CG GLU A 107 -2.844 -6.625 -17.394 1.00 31.24 C ATOM 1702 CD GLU A 107 -2.759 -7.066 -15.945 1.00 5.34 C ATOM 1703 OE1 GLU A 107 -2.535 -6.198 -15.074 1.00 41.11 O ATOM 1704 OE2 GLU A 107 -2.914 -8.276 -15.682 1.00 25.24 O ATOM 0 H GLU A 107 0.429 -7.500 -17.604 1.00 43.44 H new ATOM 0 HA GLU A 107 -1.666 -7.543 -19.443 1.00 2.54 H new ATOM 0 HB2 GLU A 107 -0.821 -6.004 -17.087 1.00 13.33 H new ATOM 0 HB3 GLU A 107 -1.708 -5.019 -18.232 1.00 13.33 H new ATOM 0 HG2 GLU A 107 -3.633 -5.880 -17.497 1.00 31.24 H new ATOM 0 HG3 GLU A 107 -3.127 -7.477 -18.013 1.00 31.24 H new ATOM 1711 N GLN A 108 0.723 -5.461 -20.188 1.00 1.04 N ATOM 1712 CA GLN A 108 1.223 -4.551 -21.212 1.00 73.44 C ATOM 1713 C GLN A 108 1.856 -5.324 -22.364 1.00 75.42 C ATOM 1714 O GLN A 108 1.810 -4.891 -23.514 1.00 41.42 O ATOM 1715 CB GLN A 108 2.243 -3.582 -20.611 1.00 21.52 C ATOM 1716 CG GLN A 108 2.096 -2.156 -21.112 1.00 44.12 C ATOM 1717 CD GLN A 108 3.404 -1.390 -21.085 1.00 2.52 C ATOM 1718 OE1 GLN A 108 4.157 -1.459 -20.112 1.00 2.31 O ATOM 1719 NE2 GLN A 108 3.683 -0.655 -22.154 1.00 43.32 N ATOM 0 H GLN A 108 1.414 -5.727 -19.486 1.00 1.04 H new ATOM 0 HA GLN A 108 0.378 -3.982 -21.600 1.00 73.44 H new ATOM 0 HB2 GLN A 108 2.142 -3.589 -19.526 1.00 21.52 H new ATOM 0 HB3 GLN A 108 3.248 -3.937 -20.840 1.00 21.52 H new ATOM 0 HG2 GLN A 108 1.709 -2.171 -22.131 1.00 44.12 H new ATOM 0 HG3 GLN A 108 1.361 -1.634 -20.500 1.00 44.12 H new ATOM 0 HE21 GLN A 108 3.031 -0.627 -22.938 1.00 43.32 H new ATOM 0 HE22 GLN A 108 4.550 -0.118 -22.192 1.00 43.32 H new ATOM 1728 N ASN A 109 2.447 -6.471 -22.047 1.00 5.14 N ATOM 1729 CA ASN A 109 3.090 -7.304 -23.056 1.00 44.11 C ATOM 1730 C ASN A 109 2.060 -7.894 -24.013 1.00 74.41 C ATOM 1731 O ASN A 109 2.291 -7.979 -25.219 1.00 42.30 O ATOM 1732 CB ASN A 109 3.886 -8.428 -22.388 1.00 51.20 C ATOM 1733 CG ASN A 109 4.266 -9.526 -23.363 1.00 44.21 C ATOM 1734 OD1 ASN A 109 5.130 -9.338 -24.220 1.00 52.21 O ATOM 1735 ND2 ASN A 109 3.620 -10.679 -23.237 1.00 41.25 N ATOM 0 H ASN A 109 2.494 -6.845 -21.099 1.00 5.14 H new ATOM 0 HA ASN A 109 3.772 -6.675 -23.629 1.00 44.11 H new ATOM 0 HB2 ASN A 109 4.790 -8.014 -21.941 1.00 51.20 H new ATOM 0 HB3 ASN A 109 3.296 -8.854 -21.577 1.00 51.20 H new ATOM 0 HD21 ASN A 109 3.832 -11.454 -23.865 1.00 41.25 H new ATOM 0 HD22 ASN A 109 2.911 -10.790 -22.512 1.00 41.25 H new ATOM 1742 N LYS A 110 0.919 -8.302 -23.466 1.00 50.12 N ATOM 1743 CA LYS A 110 -0.150 -8.883 -24.269 1.00 55.02 C ATOM 1744 C LYS A 110 -0.517 -7.967 -25.432 1.00 43.44 C ATOM 1745 O LYS A 110 -0.871 -8.433 -26.515 1.00 43.02 O ATOM 1746 CB LYS A 110 -1.384 -9.143 -23.402 1.00 60.24 C ATOM 1747 CG LYS A 110 -2.513 -9.839 -24.142 1.00 64.21 C ATOM 1748 CD LYS A 110 -2.766 -11.232 -23.591 1.00 41.12 C ATOM 1749 CE LYS A 110 -1.649 -12.192 -23.968 1.00 65.44 C ATOM 1750 NZ LYS A 110 -1.878 -13.556 -23.416 1.00 33.13 N ATOM 0 H LYS A 110 0.711 -8.241 -22.469 1.00 50.12 H new ATOM 0 HA LYS A 110 0.208 -9.830 -24.674 1.00 55.02 H new ATOM 0 HB2 LYS A 110 -1.094 -9.751 -22.545 1.00 60.24 H new ATOM 0 HB3 LYS A 110 -1.749 -8.193 -23.010 1.00 60.24 H new ATOM 0 HG2 LYS A 110 -3.423 -9.244 -24.062 1.00 64.21 H new ATOM 0 HG3 LYS A 110 -2.268 -9.905 -25.202 1.00 64.21 H new ATOM 0 HD2 LYS A 110 -2.855 -11.184 -22.506 1.00 41.12 H new ATOM 0 HD3 LYS A 110 -3.715 -11.609 -23.973 1.00 41.12 H new ATOM 0 HE2 LYS A 110 -1.570 -12.248 -25.054 1.00 65.44 H new ATOM 0 HE3 LYS A 110 -0.699 -11.806 -23.599 1.00 65.44 H new ATOM 0 HZ1 LYS A 110 -1.094 -14.180 -23.696 1.00 33.13 H new ATOM 0 HZ2 LYS A 110 -1.928 -13.507 -22.378 1.00 33.13 H new ATOM 0 HZ3 LYS A 110 -2.772 -13.935 -23.788 1.00 33.13 H new ATOM 1764 N SER A 111 -0.429 -6.660 -25.201 1.00 22.43 N ATOM 1765 CA SER A 111 -0.753 -5.679 -26.229 1.00 13.31 C ATOM 1766 C SER A 111 0.167 -5.831 -27.436 1.00 71.15 C ATOM 1767 O SER A 111 -0.292 -5.915 -28.575 1.00 51.21 O ATOM 1768 CB SER A 111 -0.641 -4.261 -25.664 1.00 3.25 C ATOM 1769 OG SER A 111 -1.093 -3.301 -26.601 1.00 55.14 O ATOM 0 H SER A 111 -0.136 -6.257 -24.311 1.00 22.43 H new ATOM 0 HA SER A 111 -1.779 -5.855 -26.552 1.00 13.31 H new ATOM 0 HB2 SER A 111 -1.227 -4.184 -24.748 1.00 3.25 H new ATOM 0 HB3 SER A 111 0.395 -4.053 -25.397 1.00 3.25 H new ATOM 0 HG SER A 111 -1.012 -2.404 -26.215 1.00 55.14 H new ATOM 1775 N LYS A 112 1.470 -5.867 -27.178 1.00 21.41 N ATOM 1776 CA LYS A 112 2.458 -6.011 -28.241 1.00 75.21 C ATOM 1777 C LYS A 112 2.258 -7.322 -28.995 1.00 63.43 C ATOM 1778 O LYS A 112 2.412 -7.379 -30.215 1.00 55.24 O ATOM 1779 CB LYS A 112 3.872 -5.953 -27.662 1.00 64.20 C ATOM 1780 CG LYS A 112 4.557 -4.611 -27.860 1.00 74.55 C ATOM 1781 CD LYS A 112 5.327 -4.567 -29.169 1.00 41.32 C ATOM 1782 CE LYS A 112 4.557 -3.815 -30.244 1.00 45.21 C ATOM 1783 NZ LYS A 112 4.789 -4.390 -31.598 1.00 65.01 N ATOM 0 H LYS A 112 1.867 -5.798 -26.241 1.00 21.41 H new ATOM 0 HA LYS A 112 2.325 -5.186 -28.941 1.00 75.21 H new ATOM 0 HB2 LYS A 112 3.828 -6.175 -26.596 1.00 64.20 H new ATOM 0 HB3 LYS A 112 4.477 -6.732 -28.125 1.00 64.20 H new ATOM 0 HG2 LYS A 112 3.812 -3.816 -27.848 1.00 74.55 H new ATOM 0 HG3 LYS A 112 5.238 -4.423 -27.030 1.00 74.55 H new ATOM 0 HD2 LYS A 112 6.292 -4.087 -29.008 1.00 41.32 H new ATOM 0 HD3 LYS A 112 5.529 -5.583 -29.508 1.00 41.32 H new ATOM 0 HE2 LYS A 112 3.492 -3.844 -30.015 1.00 45.21 H new ATOM 0 HE3 LYS A 112 4.856 -2.767 -30.239 1.00 45.21 H new ATOM 0 HZ1 LYS A 112 4.247 -3.850 -32.302 1.00 65.01 H new ATOM 0 HZ2 LYS A 112 5.802 -4.339 -31.828 1.00 65.01 H new ATOM 0 HZ3 LYS A 112 4.480 -5.383 -31.611 1.00 65.01 H new ATOM 1797 N LYS A 113 1.915 -8.375 -28.260 1.00 71.54 N ATOM 1798 CA LYS A 113 1.691 -9.686 -28.859 1.00 53.53 C ATOM 1799 C LYS A 113 0.591 -9.623 -29.913 1.00 51.44 C ATOM 1800 O LYS A 113 0.561 -10.427 -30.845 1.00 64.21 O ATOM 1801 CB LYS A 113 1.320 -10.705 -27.780 1.00 15.13 C ATOM 1802 CG LYS A 113 2.519 -11.414 -27.174 1.00 60.14 C ATOM 1803 CD LYS A 113 2.951 -12.600 -28.020 1.00 31.44 C ATOM 1804 CE LYS A 113 1.975 -13.761 -27.892 1.00 50.23 C ATOM 1805 NZ LYS A 113 2.487 -14.818 -26.977 1.00 61.33 N ATOM 0 H LYS A 113 1.786 -8.346 -27.249 1.00 71.54 H new ATOM 0 HA LYS A 113 2.616 -9.999 -29.344 1.00 53.53 H new ATOM 0 HB2 LYS A 113 0.770 -10.198 -26.987 1.00 15.13 H new ATOM 0 HB3 LYS A 113 0.648 -11.448 -28.210 1.00 15.13 H new ATOM 0 HG2 LYS A 113 3.348 -10.713 -27.079 1.00 60.14 H new ATOM 0 HG3 LYS A 113 2.272 -11.754 -26.168 1.00 60.14 H new ATOM 0 HD2 LYS A 113 3.022 -12.297 -29.064 1.00 31.44 H new ATOM 0 HD3 LYS A 113 3.946 -12.924 -27.714 1.00 31.44 H new ATOM 0 HE2 LYS A 113 1.019 -13.392 -27.521 1.00 50.23 H new ATOM 0 HE3 LYS A 113 1.791 -14.191 -28.877 1.00 50.23 H new ATOM 0 HZ1 LYS A 113 1.794 -15.591 -26.917 1.00 61.33 H new ATOM 0 HZ2 LYS A 113 3.387 -15.188 -27.344 1.00 61.33 H new ATOM 0 HZ3 LYS A 113 2.638 -14.414 -26.031 1.00 61.33 H new ATOM 1819 N LYS A 114 -0.313 -8.659 -29.763 1.00 30.34 N ATOM 1820 CA LYS A 114 -1.414 -8.489 -30.703 1.00 3.45 C ATOM 1821 C LYS A 114 -1.085 -7.415 -31.735 1.00 72.24 C ATOM 1822 O LYS A 114 -1.980 -6.770 -32.280 1.00 15.11 O ATOM 1823 CB LYS A 114 -2.696 -8.116 -29.956 1.00 20.43 C ATOM 1824 CG LYS A 114 -3.889 -8.981 -30.326 1.00 24.44 C ATOM 1825 CD LYS A 114 -4.606 -9.500 -29.091 1.00 22.14 C ATOM 1826 CE LYS A 114 -5.759 -10.420 -29.461 1.00 20.54 C ATOM 1827 NZ LYS A 114 -5.768 -11.659 -28.633 1.00 53.12 N ATOM 0 H LYS A 114 -0.304 -7.984 -28.999 1.00 30.34 H new ATOM 0 HA LYS A 114 -1.565 -9.435 -31.223 1.00 3.45 H new ATOM 0 HB2 LYS A 114 -2.518 -8.196 -28.884 1.00 20.43 H new ATOM 0 HB3 LYS A 114 -2.936 -7.073 -30.162 1.00 20.43 H new ATOM 0 HG2 LYS A 114 -4.584 -8.403 -30.935 1.00 24.44 H new ATOM 0 HG3 LYS A 114 -3.555 -9.822 -30.934 1.00 24.44 H new ATOM 0 HD2 LYS A 114 -3.900 -10.037 -28.458 1.00 22.14 H new ATOM 0 HD3 LYS A 114 -4.982 -8.660 -28.508 1.00 22.14 H new ATOM 0 HE2 LYS A 114 -6.703 -9.890 -29.332 1.00 20.54 H new ATOM 0 HE3 LYS A 114 -5.686 -10.688 -30.515 1.00 20.54 H new ATOM 0 HZ1 LYS A 114 -6.569 -12.260 -28.916 1.00 53.12 H new ATOM 0 HZ2 LYS A 114 -4.878 -12.178 -28.776 1.00 53.12 H new ATOM 0 HZ3 LYS A 114 -5.863 -11.405 -27.629 1.00 53.12 H new ATOM 1841 N ALA A 115 0.204 -7.230 -32.001 1.00 20.13 N ATOM 1842 CA ALA A 115 0.650 -6.238 -32.971 1.00 13.00 C ATOM 1843 C ALA A 115 1.619 -6.850 -33.977 1.00 25.03 C ATOM 1844 O ALA A 115 2.503 -6.168 -34.494 1.00 11.23 O ATOM 1845 CB ALA A 115 1.297 -5.059 -32.261 1.00 22.25 C ATOM 0 H ALA A 115 0.958 -7.755 -31.558 1.00 20.13 H new ATOM 0 HA ALA A 115 -0.223 -5.883 -33.518 1.00 13.00 H new ATOM 0 HB1 ALA A 115 1.625 -4.326 -32.998 1.00 22.25 H new ATOM 0 HB2 ALA A 115 0.574 -4.598 -31.588 1.00 22.25 H new ATOM 0 HB3 ALA A 115 2.156 -5.407 -31.687 1.00 22.25 H new ATOM 1851 N GLN A 116 1.447 -8.140 -34.248 1.00 2.54 N ATOM 1852 CA GLN A 116 2.309 -8.843 -35.191 1.00 13.14 C ATOM 1853 C GLN A 116 1.712 -10.195 -35.571 1.00 1.50 C ATOM 1854 O GLN A 116 2.431 -11.181 -35.719 1.00 24.13 O ATOM 1855 CB GLN A 116 3.703 -9.039 -34.592 1.00 4.31 C ATOM 1856 CG GLN A 116 4.813 -9.067 -35.630 1.00 60.32 C ATOM 1857 CD GLN A 116 6.188 -9.216 -35.011 1.00 31.33 C ATOM 1858 OE1 GLN A 116 6.506 -8.570 -34.012 1.00 13.31 O ATOM 1859 NE2 GLN A 116 7.014 -10.073 -35.601 1.00 41.04 N ATOM 0 H GLN A 116 0.719 -8.719 -33.828 1.00 2.54 H new ATOM 0 HA GLN A 116 2.390 -8.235 -36.092 1.00 13.14 H new ATOM 0 HB2 GLN A 116 3.901 -8.235 -33.882 1.00 4.31 H new ATOM 0 HB3 GLN A 116 3.720 -9.972 -34.029 1.00 4.31 H new ATOM 0 HG2 GLN A 116 4.638 -9.892 -36.321 1.00 60.32 H new ATOM 0 HG3 GLN A 116 4.780 -8.148 -36.216 1.00 60.32 H new ATOM 0 HE21 GLN A 116 6.710 -10.588 -36.427 1.00 41.04 H new ATOM 0 HE22 GLN A 116 7.952 -10.216 -35.228 1.00 41.04 H new ATOM 1868 N GLN A 117 0.393 -10.229 -35.727 1.00 75.02 N ATOM 1869 CA GLN A 117 -0.301 -11.460 -36.089 1.00 65.15 C ATOM 1870 C GLN A 117 -0.085 -11.793 -37.562 1.00 71.44 C ATOM 1871 O GLN A 117 -0.098 -12.960 -37.953 1.00 22.21 O ATOM 1872 CB GLN A 117 -1.797 -11.332 -35.797 1.00 15.32 C ATOM 1873 CG GLN A 117 -2.516 -12.668 -35.712 1.00 32.35 C ATOM 1874 CD GLN A 117 -4.006 -12.515 -35.476 1.00 32.24 C ATOM 1875 OE1 GLN A 117 -4.820 -12.822 -36.348 1.00 4.11 O ATOM 1876 NE2 GLN A 117 -4.373 -12.039 -34.292 1.00 24.03 N ATOM 0 H GLN A 117 -0.216 -9.420 -35.609 1.00 75.02 H new ATOM 0 HA GLN A 117 0.111 -12.270 -35.488 1.00 65.15 H new ATOM 0 HB2 GLN A 117 -1.931 -10.796 -34.857 1.00 15.32 H new ATOM 0 HB3 GLN A 117 -2.261 -10.728 -36.577 1.00 15.32 H new ATOM 0 HG2 GLN A 117 -2.353 -13.223 -36.636 1.00 32.35 H new ATOM 0 HG3 GLN A 117 -2.083 -13.259 -34.905 1.00 32.35 H new ATOM 0 HE21 GLN A 117 -3.666 -11.797 -33.598 1.00 24.03 H new ATOM 0 HE22 GLN A 117 -5.362 -11.915 -34.076 1.00 24.03 H new ATOM 1885 N ALA A 118 0.112 -10.761 -38.375 1.00 13.40 N ATOM 1886 CA ALA A 118 0.331 -10.943 -39.804 1.00 32.45 C ATOM 1887 C ALA A 118 1.808 -10.799 -40.155 1.00 64.03 C ATOM 1888 O ALA A 118 2.156 -10.420 -41.273 1.00 33.12 O ATOM 1889 CB ALA A 118 -0.503 -9.949 -40.598 1.00 65.13 C ATOM 0 H ALA A 118 0.124 -9.789 -38.068 1.00 13.40 H new ATOM 0 HA ALA A 118 0.018 -11.953 -40.069 1.00 32.45 H new ATOM 0 HB1 ALA A 118 -0.329 -10.097 -41.664 1.00 65.13 H new ATOM 0 HB2 ALA A 118 -1.559 -10.103 -40.378 1.00 65.13 H new ATOM 0 HB3 ALA A 118 -0.219 -8.933 -40.322 1.00 65.13 H new ATOM 1895 N ALA A 119 2.673 -11.104 -39.193 1.00 53.42 N ATOM 1896 CA ALA A 119 4.113 -11.008 -39.402 1.00 75.21 C ATOM 1897 C ALA A 119 4.870 -11.891 -38.415 1.00 52.53 C ATOM 1898 O ALA A 119 5.892 -11.485 -37.864 1.00 65.30 O ATOM 1899 CB ALA A 119 4.569 -9.562 -39.277 1.00 64.31 C ATOM 0 H ALA A 119 2.402 -11.420 -38.262 1.00 53.42 H new ATOM 0 HA ALA A 119 4.334 -11.361 -40.409 1.00 75.21 H new ATOM 0 HB1 ALA A 119 5.646 -9.505 -39.435 1.00 64.31 H new ATOM 0 HB2 ALA A 119 4.060 -8.954 -40.025 1.00 64.31 H new ATOM 0 HB3 ALA A 119 4.328 -9.189 -38.281 1.00 64.31 H new ATOM 1905 N ALA A 120 4.360 -13.098 -38.197 1.00 72.31 N ATOM 1906 CA ALA A 120 4.989 -14.039 -37.277 1.00 42.43 C ATOM 1907 C ALA A 120 4.438 -15.447 -37.472 1.00 23.00 C ATOM 1908 O ALA A 120 3.813 -16.009 -36.572 1.00 61.30 O ATOM 1909 CB ALA A 120 4.788 -13.585 -35.840 1.00 22.13 C ATOM 0 H ALA A 120 3.513 -13.448 -38.645 1.00 72.31 H new ATOM 0 HA ALA A 120 6.057 -14.062 -37.492 1.00 42.43 H new ATOM 0 HB1 ALA A 120 5.262 -14.296 -35.164 1.00 22.13 H new ATOM 0 HB2 ALA A 120 5.236 -12.601 -35.703 1.00 22.13 H new ATOM 0 HB3 ALA A 120 3.722 -13.532 -35.621 1.00 22.13 H new ATOM 1915 N ASP A 121 4.674 -16.013 -38.650 1.00 44.12 N ATOM 1916 CA ASP A 121 4.202 -17.357 -38.962 1.00 23.34 C ATOM 1917 C ASP A 121 5.137 -18.044 -39.952 1.00 62.43 C ATOM 1918 O ASP A 121 5.515 -19.202 -39.766 1.00 13.20 O ATOM 1919 CB ASP A 121 2.784 -17.303 -39.532 1.00 62.30 C ATOM 1920 CG ASP A 121 2.095 -18.653 -39.496 1.00 14.01 C ATOM 1921 OD1 ASP A 121 2.704 -19.617 -38.990 1.00 3.14 O ATOM 1922 OD2 ASP A 121 0.944 -18.745 -39.974 1.00 41.43 O ATOM 0 H ASP A 121 5.190 -15.562 -39.405 1.00 44.12 H new ATOM 0 HA ASP A 121 4.191 -17.936 -38.039 1.00 23.34 H new ATOM 0 HB2 ASP A 121 2.195 -16.582 -38.965 1.00 62.30 H new ATOM 0 HB3 ASP A 121 2.822 -16.945 -40.561 1.00 62.30 H new ATOM 1927 N THR A 122 5.505 -17.326 -41.008 1.00 4.41 N ATOM 1928 CA THR A 122 6.393 -17.866 -42.029 1.00 62.32 C ATOM 1929 C THR A 122 7.664 -18.435 -41.409 1.00 3.43 C ATOM 1930 O THR A 122 8.457 -17.705 -40.814 1.00 52.44 O ATOM 1931 CB THR A 122 6.777 -16.794 -43.066 1.00 12.22 C ATOM 1932 OG1 THR A 122 7.374 -15.670 -42.409 1.00 44.34 O ATOM 1933 CG2 THR A 122 5.556 -16.338 -43.851 1.00 13.24 C ATOM 0 H THR A 122 5.201 -16.367 -41.178 1.00 4.41 H new ATOM 0 HA THR A 122 5.847 -18.666 -42.530 1.00 62.32 H new ATOM 0 HB THR A 122 7.493 -17.232 -43.761 1.00 12.22 H new ATOM 0 HG1 THR A 122 7.927 -15.983 -41.663 1.00 44.34 H new ATOM 0 HG21 THR A 122 5.852 -15.581 -44.577 1.00 13.24 H new ATOM 0 HG22 THR A 122 5.120 -17.190 -44.372 1.00 13.24 H new ATOM 0 HG23 THR A 122 4.820 -15.916 -43.167 1.00 13.24 H new ATOM 1941 N GLY A 123 7.853 -19.743 -41.551 1.00 34.00 N ATOM 1942 CA GLY A 123 9.030 -20.387 -40.999 1.00 25.32 C ATOM 1943 C GLY A 123 10.089 -20.658 -42.049 1.00 21.51 C ATOM 1944 O GLY A 123 9.951 -20.247 -43.200 1.00 54.33 O ATOM 0 H GLY A 123 7.212 -20.368 -42.039 1.00 34.00 H new ATOM 0 HA2 GLY A 123 9.452 -19.757 -40.216 1.00 25.32 H new ATOM 0 HA3 GLY A 123 8.740 -21.327 -40.529 1.00 25.32 H new ATOM 1948 N ASN A 124 11.151 -21.351 -41.651 1.00 43.31 N ATOM 1949 CA ASN A 124 12.239 -21.675 -42.567 1.00 43.24 C ATOM 1950 C ASN A 124 12.968 -22.939 -42.120 1.00 43.43 C ATOM 1951 O ASN A 124 12.624 -23.539 -41.104 1.00 25.12 O ATOM 1952 CB ASN A 124 13.225 -20.508 -42.653 1.00 40.44 C ATOM 1953 CG ASN A 124 12.654 -19.324 -43.411 1.00 2.24 C ATOM 1954 OD1 ASN A 124 12.308 -18.301 -42.819 1.00 30.43 O ATOM 1955 ND2 ASN A 124 12.554 -19.458 -44.728 1.00 2.01 N ATOM 0 H ASN A 124 11.281 -21.699 -40.701 1.00 43.31 H new ATOM 0 HA ASN A 124 11.810 -21.853 -43.553 1.00 43.24 H new ATOM 0 HB2 ASN A 124 13.500 -20.193 -41.646 1.00 40.44 H new ATOM 0 HB3 ASN A 124 14.139 -20.843 -43.143 1.00 40.44 H new ATOM 0 HD21 ASN A 124 12.178 -18.695 -45.291 1.00 2.01 H new ATOM 0 HD22 ASN A 124 12.853 -20.324 -45.177 1.00 2.01 H new ATOM 1962 N ASN A 125 13.978 -23.335 -42.889 1.00 31.33 N ATOM 1963 CA ASN A 125 14.756 -24.528 -42.573 1.00 20.05 C ATOM 1964 C ASN A 125 16.243 -24.287 -42.814 1.00 51.50 C ATOM 1965 O ASN A 125 16.656 -23.176 -43.147 1.00 11.01 O ATOM 1966 CB ASN A 125 14.276 -25.712 -43.414 1.00 65.32 C ATOM 1967 CG ASN A 125 14.396 -25.450 -44.903 1.00 3.15 C ATOM 1968 OD1 ASN A 125 15.498 -25.415 -45.451 1.00 41.33 O ATOM 1969 ND2 ASN A 125 13.260 -25.265 -45.564 1.00 51.22 N ATOM 0 H ASN A 125 14.276 -22.848 -43.734 1.00 31.33 H new ATOM 0 HA ASN A 125 14.610 -24.758 -41.518 1.00 20.05 H new ATOM 0 HB2 ASN A 125 14.857 -26.597 -43.156 1.00 65.32 H new ATOM 0 HB3 ASN A 125 13.237 -25.931 -43.169 1.00 65.32 H new ATOM 0 HD21 ASN A 125 13.278 -25.085 -46.568 1.00 51.22 H new ATOM 0 HD22 ASN A 125 12.369 -25.303 -45.068 1.00 51.22 H new ATOM 1976 N SER A 126 17.042 -25.335 -42.644 1.00 64.01 N ATOM 1977 CA SER A 126 18.484 -25.237 -42.840 1.00 75.23 C ATOM 1978 C SER A 126 19.156 -26.588 -42.611 1.00 3.42 C ATOM 1979 O SER A 126 18.638 -27.434 -41.885 1.00 11.23 O ATOM 1980 CB SER A 126 19.078 -24.191 -41.895 1.00 63.23 C ATOM 1981 OG SER A 126 18.277 -24.037 -40.736 1.00 63.12 O ATOM 0 H SER A 126 16.716 -26.262 -42.371 1.00 64.01 H new ATOM 0 HA SER A 126 18.667 -24.930 -43.870 1.00 75.23 H new ATOM 0 HB2 SER A 126 20.087 -24.488 -41.607 1.00 63.23 H new ATOM 0 HB3 SER A 126 19.162 -23.235 -42.412 1.00 63.23 H new ATOM 0 HG SER A 126 18.679 -23.364 -40.148 1.00 63.12 H new ATOM 1987 N GLN A 127 20.313 -26.779 -43.237 1.00 13.21 N ATOM 1988 CA GLN A 127 21.056 -28.026 -43.103 1.00 13.43 C ATOM 1989 C GLN A 127 22.482 -27.761 -42.631 1.00 63.35 C ATOM 1990 O GLN A 127 22.862 -26.617 -42.380 1.00 22.34 O ATOM 1991 CB GLN A 127 21.077 -28.778 -44.434 1.00 35.52 C ATOM 1992 CG GLN A 127 21.836 -28.051 -45.532 1.00 34.12 C ATOM 1993 CD GLN A 127 21.134 -28.125 -46.873 1.00 53.45 C ATOM 1994 OE1 GLN A 127 20.389 -29.066 -47.147 1.00 23.01 O ATOM 1995 NE2 GLN A 127 21.367 -27.128 -47.720 1.00 12.12 N ATOM 0 H GLN A 127 20.756 -26.087 -43.841 1.00 13.21 H new ATOM 0 HA GLN A 127 20.554 -28.641 -42.356 1.00 13.43 H new ATOM 0 HB2 GLN A 127 21.527 -29.759 -44.281 1.00 35.52 H new ATOM 0 HB3 GLN A 127 20.052 -28.946 -44.763 1.00 35.52 H new ATOM 0 HG2 GLN A 127 21.963 -27.006 -45.250 1.00 34.12 H new ATOM 0 HG3 GLN A 127 22.834 -28.480 -45.624 1.00 34.12 H new ATOM 0 HE21 GLN A 127 21.992 -26.367 -47.453 1.00 12.12 H new ATOM 0 HE22 GLN A 127 20.921 -27.123 -48.637 1.00 12.12 H new ATOM 2004 N VAL A 128 23.270 -28.826 -42.516 1.00 35.45 N ATOM 2005 CA VAL A 128 24.655 -28.709 -42.076 1.00 42.32 C ATOM 2006 C VAL A 128 25.597 -29.435 -43.030 1.00 63.24 C ATOM 2007 O VAL A 128 25.256 -30.482 -43.578 1.00 22.42 O ATOM 2008 CB VAL A 128 24.843 -29.275 -40.656 1.00 75.23 C ATOM 2009 CG1 VAL A 128 24.444 -30.742 -40.609 1.00 32.01 C ATOM 2010 CG2 VAL A 128 26.281 -29.090 -40.195 1.00 62.05 C ATOM 0 H VAL A 128 22.972 -29.780 -42.722 1.00 35.45 H new ATOM 0 HA VAL A 128 24.897 -27.646 -42.070 1.00 42.32 H new ATOM 0 HB VAL A 128 24.194 -28.725 -39.975 1.00 75.23 H new ATOM 0 HG11 VAL A 128 24.584 -31.125 -39.598 1.00 32.01 H new ATOM 0 HG12 VAL A 128 23.397 -30.844 -40.894 1.00 32.01 H new ATOM 0 HG13 VAL A 128 25.065 -31.310 -41.301 1.00 32.01 H new ATOM 0 HG21 VAL A 128 26.396 -29.496 -39.190 1.00 62.05 H new ATOM 0 HG22 VAL A 128 26.952 -29.614 -40.876 1.00 62.05 H new ATOM 0 HG23 VAL A 128 26.527 -28.028 -40.188 1.00 62.05 H new ATOM 2020 N SER A 129 26.784 -28.870 -43.224 1.00 24.34 N ATOM 2021 CA SER A 129 27.777 -29.462 -44.113 1.00 60.33 C ATOM 2022 C SER A 129 29.048 -29.819 -43.350 1.00 50.03 C ATOM 2023 O SER A 129 29.696 -28.952 -42.765 1.00 0.54 O ATOM 2024 CB SER A 129 28.107 -28.499 -45.256 1.00 4.23 C ATOM 2025 OG SER A 129 27.191 -28.644 -46.327 1.00 41.03 O ATOM 0 H SER A 129 27.082 -28.003 -42.777 1.00 24.34 H new ATOM 0 HA SER A 129 27.356 -30.378 -44.528 1.00 60.33 H new ATOM 0 HB2 SER A 129 28.083 -27.473 -44.889 1.00 4.23 H new ATOM 0 HB3 SER A 129 29.120 -28.686 -45.612 1.00 4.23 H new ATOM 0 HG SER A 129 27.423 -28.017 -47.043 1.00 41.03 H new ATOM 2031 N GLN A 130 29.398 -31.101 -43.362 1.00 12.41 N ATOM 2032 CA GLN A 130 30.592 -31.573 -42.670 1.00 54.43 C ATOM 2033 C GLN A 130 31.509 -32.332 -43.622 1.00 53.44 C ATOM 2034 O GLN A 130 32.153 -33.306 -43.236 1.00 30.31 O ATOM 2035 CB GLN A 130 30.203 -32.470 -41.494 1.00 20.35 C ATOM 2036 CG GLN A 130 29.340 -33.657 -41.893 1.00 31.15 C ATOM 2037 CD GLN A 130 29.519 -34.846 -40.968 1.00 41.33 C ATOM 2038 OE1 GLN A 130 28.655 -35.138 -40.140 1.00 64.34 O ATOM 2039 NE2 GLN A 130 30.644 -35.538 -41.105 1.00 52.22 N ATOM 0 H GLN A 130 28.872 -31.831 -43.843 1.00 12.41 H new ATOM 0 HA GLN A 130 31.131 -30.704 -42.293 1.00 54.43 H new ATOM 0 HB2 GLN A 130 31.109 -32.836 -41.012 1.00 20.35 H new ATOM 0 HB3 GLN A 130 29.667 -31.874 -40.755 1.00 20.35 H new ATOM 0 HG2 GLN A 130 28.292 -33.356 -41.893 1.00 31.15 H new ATOM 0 HG3 GLN A 130 29.586 -33.954 -42.912 1.00 31.15 H new ATOM 0 HE21 GLN A 130 31.332 -35.260 -41.805 1.00 52.22 H new ATOM 0 HE22 GLN A 130 30.820 -36.348 -40.511 1.00 52.22 H new ATOM 2048 N ASN A 131 31.563 -31.879 -44.872 1.00 14.24 N ATOM 2049 CA ASN A 131 32.400 -32.517 -45.880 1.00 43.34 C ATOM 2050 C ASN A 131 33.254 -31.483 -46.610 1.00 72.53 C ATOM 2051 O ASN A 131 33.029 -30.279 -46.489 1.00 61.00 O ATOM 2052 CB ASN A 131 31.534 -33.280 -46.884 1.00 44.15 C ATOM 2053 CG ASN A 131 30.389 -32.440 -47.417 1.00 2.34 C ATOM 2054 OD1 ASN A 131 30.572 -31.619 -48.315 1.00 24.40 O ATOM 2055 ND2 ASN A 131 29.200 -32.642 -46.861 1.00 50.02 N ATOM 0 H ASN A 131 31.037 -31.073 -45.209 1.00 14.24 H new ATOM 0 HA ASN A 131 33.063 -33.220 -45.375 1.00 43.34 H new ATOM 0 HB2 ASN A 131 32.155 -33.613 -47.716 1.00 44.15 H new ATOM 0 HB3 ASN A 131 31.133 -34.175 -46.408 1.00 44.15 H new ATOM 0 HD21 ASN A 131 28.392 -32.105 -47.176 1.00 50.02 H new ATOM 0 HD22 ASN A 131 29.095 -33.334 -46.119 1.00 50.02 H new ATOM 2062 N TYR A 132 34.234 -31.963 -47.367 1.00 61.34 N ATOM 2063 CA TYR A 132 35.123 -31.082 -48.116 1.00 30.43 C ATOM 2064 C TYR A 132 34.891 -31.221 -49.617 1.00 74.51 C ATOM 2065 O TYR A 132 33.754 -31.186 -50.085 1.00 30.11 O ATOM 2066 CB TYR A 132 36.583 -31.394 -47.783 1.00 22.15 C ATOM 2067 CG TYR A 132 37.085 -30.691 -46.542 1.00 34.50 C ATOM 2068 CD1 TYR A 132 36.927 -31.261 -45.285 1.00 22.43 C ATOM 2069 CD2 TYR A 132 37.716 -29.456 -46.626 1.00 63.02 C ATOM 2070 CE1 TYR A 132 37.384 -30.623 -44.148 1.00 14.11 C ATOM 2071 CE2 TYR A 132 38.177 -28.810 -45.495 1.00 62.33 C ATOM 2072 CZ TYR A 132 38.008 -29.398 -44.258 1.00 64.13 C ATOM 2073 OH TYR A 132 38.465 -28.759 -43.129 1.00 52.12 O ATOM 0 H TYR A 132 34.433 -32.957 -47.478 1.00 61.34 H new ATOM 0 HA TYR A 132 34.903 -30.054 -47.827 1.00 30.43 H new ATOM 0 HB2 TYR A 132 36.695 -32.470 -47.651 1.00 22.15 H new ATOM 0 HB3 TYR A 132 37.209 -31.110 -48.629 1.00 22.15 H new ATOM 0 HD1 TYR A 132 36.438 -32.220 -45.195 1.00 22.43 H new ATOM 0 HD2 TYR A 132 37.848 -28.993 -47.593 1.00 63.02 H new ATOM 0 HE1 TYR A 132 37.253 -31.081 -43.179 1.00 14.11 H new ATOM 0 HE2 TYR A 132 38.667 -27.851 -45.578 1.00 62.33 H new ATOM 0 HH TYR A 132 38.881 -27.908 -43.380 1.00 52.12 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 -3.420 12.639 5.577 1.00 22.03 C HETATM 2085 O1 MYR A 1 -4.347 13.432 5.734 1.00 34.35 O HETATM 2086 C2 MYR A 1 -3.213 12.026 4.192 1.00 61.42 C HETATM 2087 C3 MYR A 1 -4.505 11.886 3.352 1.00 24.14 C HETATM 2088 C4 MYR A 1 -4.875 10.414 3.099 1.00 35.44 C HETATM 2089 C5 MYR A 1 -3.966 9.758 2.043 1.00 42.20 C HETATM 2090 C6 MYR A 1 -4.534 8.419 1.536 1.00 41.11 C HETATM 2091 C7 MYR A 1 -4.038 7.224 2.371 1.00 20.35 C HETATM 2092 C8 MYR A 1 -3.081 6.314 1.577 1.00 41.12 C HETATM 2093 C9 MYR A 1 -3.750 4.992 1.155 1.00 2.33 C HETATM 2094 C10 MYR A 1 -2.922 3.759 1.572 1.00 52.14 C HETATM 2095 C11 MYR A 1 -3.035 2.561 0.606 1.00 22.00 C HETATM 2096 C12 MYR A 1 -2.440 1.246 1.151 1.00 54.21 C HETATM 2097 C13 MYR A 1 -1.264 0.741 0.297 1.00 33.10 C HETATM 2098 C14 MYR A 1 -1.220 -0.792 0.237 1.00 14.12 C HETATM 0 H143 MYR A 1 -1.108 -1.192 1.245 1.00 14.12 H new HETATM 0 H142 MYR A 1 -2.146 -1.166 -0.201 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.376 -1.108 -0.375 1.00 14.12 H new HETATM 0 H132 MYR A 1 -1.350 1.142 -0.713 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.328 1.116 0.710 1.00 33.10 H new HETATM 0 H122 MYR A 1 -2.103 1.399 2.176 1.00 54.21 H new HETATM 0 H121 MYR A 1 -3.218 0.483 1.182 1.00 54.21 H new HETATM 0 H112 MYR A 1 -4.086 2.399 0.368 1.00 22.00 H new HETATM 0 H111 MYR A 1 -2.532 2.814 -0.328 1.00 22.00 H new HETATM 0 H102 MYR A 1 -1.874 4.049 1.651 1.00 52.14 H new HETATM 0 H101 MYR A 1 -3.240 3.441 2.565 1.00 52.14 H new HETATM 0 H92 MYR A 1 -4.742 4.930 1.603 1.00 2.33 H new HETATM 0 H91 MYR A 1 -3.888 4.986 0.074 1.00 2.33 H new HETATM 0 H82 MYR A 1 -2.733 6.842 0.689 1.00 41.12 H new HETATM 0 H81 MYR A 1 -2.202 6.097 2.184 1.00 41.12 H new HETATM 0 H72 MYR A 1 -3.530 7.592 3.262 1.00 20.35 H new HETATM 0 H71 MYR A 1 -4.894 6.640 2.710 1.00 20.35 H new HETATM 0 H62 MYR A 1 -5.623 8.454 1.565 1.00 41.11 H new HETATM 0 H61 MYR A 1 -4.248 8.276 0.494 1.00 41.11 H new HETATM 0 H52 MYR A 1 -3.840 10.439 1.201 1.00 42.20 H new HETATM 0 H51 MYR A 1 -2.977 9.593 2.470 1.00 42.20 H new HETATM 0 H42 MYR A 1 -4.803 9.858 4.034 1.00 35.44 H new HETATM 0 H41 MYR A 1 -5.913 10.353 2.771 1.00 35.44 H new HETATM 0 H32 MYR A 1 -5.327 12.382 3.867 1.00 24.14 H new HETATM 0 H31 MYR A 1 -4.373 12.395 2.397 1.00 24.14 H new HETATM 0 H22 MYR A 1 -2.501 12.639 3.640 1.00 61.42 H new HETATM 0 H21 MYR A 1 -2.762 11.041 4.309 1.00 61.42 H new