USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 MET CE :methyl 172:sc= -1.57 (180deg=-1.83) USER MOD Set 1.2: A 49 MET CE :methyl 139:sc= -7.41! (180deg=-8.91!) USER MOD Single : A 14 ASN : amide:sc= -0.0728 K(o=-0.073,f=-1) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 19 TYR OH : rot 38:sc= 1.23 USER MOD Single : A 26 SER OG : rot -177:sc= -1.45 USER MOD Single : A 28 ASN : amide:sc= -0.824 K(o=-0.82,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -135:sc= -0.167 (180deg=-2.05!) USER MOD Single : A 39 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.26) USER MOD Single : A 44 SER OG : rot -74:sc= 0.146 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.0567) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 0.877 (180deg=0.519) USER MOD Single : A 55 MET CE :methyl -117:sc= -0.243 (180deg=-2.45!) USER MOD Single : A 56 ASN : amide:sc= 0.415 K(o=0.42,f=-4.6!) USER MOD Single : A 58 SER OG : rot -79:sc= 0.212 USER MOD Single : A 62 THR OG1 : rot 60:sc= 1.11 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0.134 (180deg=0.00143) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 1.26 (180deg=1.2) USER MOD Single : A 80 THR OG1 : rot -150:sc= 0 USER MOD Single : A 85 SER OG : rot -84:sc= 1 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.813 -0.949 0.735 1.00 0.88 N ATOM 50 CA ASN A 14 10.651 -0.589 1.542 1.00 0.81 C ATOM 51 C ASN A 14 9.392 -0.420 0.698 1.00 0.64 C ATOM 52 O ASN A 14 8.327 -0.893 1.089 1.00 0.66 O ATOM 53 CB ASN A 14 10.913 0.695 2.333 1.00 0.96 C ATOM 54 CG ASN A 14 11.605 1.772 1.515 1.00 1.62 C ATOM 55 OD1 ASN A 14 10.978 2.452 0.695 1.00 2.24 O ATOM 56 ND2 ASN A 14 12.902 1.930 1.726 1.00 2.24 N ATOM 0 HA ASN A 14 10.485 -1.414 2.234 1.00 0.81 H new ATOM 0 HB2 ASN A 14 9.965 1.084 2.706 1.00 0.96 H new ATOM 0 HB3 ASN A 14 11.525 0.459 3.203 1.00 0.96 H new ATOM 0 HD21 ASN A 14 13.422 2.634 1.202 1.00 2.24 H new ATOM 0 HD22 ASN A 14 13.382 1.348 2.412 1.00 2.24 H new ATOM 63 N LEU A 15 9.508 0.266 -0.440 1.00 0.56 N ATOM 64 CA LEU A 15 8.350 0.502 -1.302 1.00 0.48 C ATOM 65 C LEU A 15 7.760 -0.810 -1.804 1.00 0.37 C ATOM 66 O LEU A 15 6.536 -0.972 -1.848 1.00 0.33 O ATOM 67 CB LEU A 15 8.716 1.394 -2.492 1.00 0.58 C ATOM 68 CG LEU A 15 7.653 2.439 -2.848 1.00 0.65 C ATOM 69 CD1 LEU A 15 8.312 3.762 -3.214 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.772 1.937 -3.985 1.00 0.60 C ATOM 0 H LEU A 15 10.382 0.664 -0.783 1.00 0.56 H new ATOM 0 HA LEU A 15 7.600 1.015 -0.699 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.653 1.906 -2.272 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.894 0.763 -3.363 1.00 0.58 H new ATOM 0 HG LEU A 15 7.020 2.604 -1.976 1.00 0.65 H new ATOM 0 HD11 LEU A 15 7.544 4.494 -3.464 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.896 4.124 -2.368 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.968 3.617 -4.072 1.00 0.91 H new ATOM 0 HD21 LEU A 15 6.023 2.691 -4.225 1.00 0.60 H new ATOM 0 HD22 LEU A 15 7.387 1.744 -4.864 1.00 0.60 H new ATOM 0 HD23 LEU A 15 6.275 1.016 -3.681 1.00 0.60 H new ATOM 82 N ARG A 16 8.618 -1.759 -2.157 1.00 0.36 N ATOM 83 CA ARG A 16 8.150 -3.049 -2.623 1.00 0.33 C ATOM 84 C ARG A 16 7.464 -3.788 -1.478 1.00 0.27 C ATOM 85 O ARG A 16 6.428 -4.425 -1.673 1.00 0.28 O ATOM 86 CB ARG A 16 9.295 -3.888 -3.185 1.00 0.40 C ATOM 87 CG ARG A 16 8.902 -4.666 -4.422 1.00 0.65 C ATOM 88 CD ARG A 16 9.675 -5.970 -4.548 1.00 1.29 C ATOM 89 NE ARG A 16 8.789 -7.130 -4.597 1.00 2.05 N ATOM 90 CZ ARG A 16 8.302 -7.653 -5.720 1.00 2.78 C ATOM 91 NH1 ARG A 16 8.597 -7.109 -6.901 1.00 3.11 N ATOM 92 NH2 ARG A 16 7.509 -8.719 -5.656 1.00 3.67 N ATOM 0 H ARG A 16 9.633 -1.657 -2.128 1.00 0.36 H new ATOM 0 HA ARG A 16 7.436 -2.884 -3.430 1.00 0.33 H new ATOM 0 HB2 ARG A 16 10.134 -3.235 -3.424 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.640 -4.583 -2.419 1.00 0.40 H new ATOM 0 HG2 ARG A 16 7.834 -4.880 -4.391 1.00 0.65 H new ATOM 0 HG3 ARG A 16 9.079 -4.054 -5.306 1.00 0.65 H new ATOM 0 HD2 ARG A 16 10.287 -5.943 -5.450 1.00 1.29 H new ATOM 0 HD3 ARG A 16 10.357 -6.070 -3.703 1.00 1.29 H new ATOM 0 HE ARG A 16 8.526 -7.568 -3.714 1.00 2.05 H new ATOM 0 HH11 ARG A 16 9.199 -6.287 -6.948 1.00 3.11 H new ATOM 0 HH12 ARG A 16 8.220 -7.515 -7.758 1.00 3.11 H new ATOM 0 HH21 ARG A 16 7.278 -9.129 -4.751 1.00 3.67 H new ATOM 0 HH22 ARG A 16 7.132 -9.126 -6.512 1.00 3.67 H new ATOM 106 N MET A 17 8.033 -3.663 -0.282 1.00 0.28 N ATOM 107 CA MET A 17 7.473 -4.284 0.911 1.00 0.32 C ATOM 108 C MET A 17 6.112 -3.670 1.233 1.00 0.25 C ATOM 109 O MET A 17 5.207 -4.350 1.721 1.00 0.27 O ATOM 110 CB MET A 17 8.423 -4.111 2.100 1.00 0.45 C ATOM 111 CG MET A 17 8.749 -5.404 2.817 1.00 0.81 C ATOM 112 SD MET A 17 7.700 -5.669 4.258 1.00 1.96 S ATOM 113 CE MET A 17 8.231 -7.307 4.746 1.00 2.93 C ATOM 0 H MET A 17 8.888 -3.133 -0.115 1.00 0.28 H new ATOM 0 HA MET A 17 7.344 -5.350 0.721 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.350 -3.658 1.749 1.00 0.45 H new ATOM 0 HB3 MET A 17 7.977 -3.415 2.811 1.00 0.45 H new ATOM 0 HG2 MET A 17 8.632 -6.239 2.127 1.00 0.81 H new ATOM 0 HG3 MET A 17 9.794 -5.391 3.128 1.00 0.81 H new ATOM 0 HE1 MET A 17 7.675 -7.622 5.629 1.00 2.93 H new ATOM 0 HE2 MET A 17 8.045 -8.007 3.932 1.00 2.93 H new ATOM 0 HE3 MET A 17 9.297 -7.291 4.975 1.00 2.93 H new ATOM 123 N THR A 18 5.980 -2.384 0.934 1.00 0.21 N ATOM 124 CA THR A 18 4.739 -1.663 1.157 1.00 0.20 C ATOM 125 C THR A 18 3.620 -2.260 0.292 1.00 0.19 C ATOM 126 O THR A 18 2.560 -2.631 0.803 1.00 0.23 O ATOM 127 CB THR A 18 4.900 -0.157 0.839 1.00 0.27 C ATOM 128 OG1 THR A 18 6.058 0.382 1.502 1.00 0.38 O ATOM 129 CG2 THR A 18 3.666 0.621 1.268 1.00 0.30 C ATOM 0 H THR A 18 6.727 -1.817 0.533 1.00 0.21 H new ATOM 0 HA THR A 18 4.477 -1.763 2.210 1.00 0.20 H new ATOM 0 HB THR A 18 5.026 -0.058 -0.239 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.869 0.010 1.097 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.802 1.677 1.035 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.793 0.241 0.736 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.516 0.503 2.341 1.00 0.30 H new ATOM 137 N TYR A 19 3.873 -2.364 -1.014 1.00 0.21 N ATOM 138 CA TYR A 19 2.896 -2.926 -1.955 1.00 0.28 C ATOM 139 C TYR A 19 2.614 -4.391 -1.624 1.00 0.31 C ATOM 140 O TYR A 19 1.471 -4.842 -1.672 1.00 0.36 O ATOM 141 CB TYR A 19 3.408 -2.792 -3.402 1.00 0.35 C ATOM 142 CG TYR A 19 2.600 -3.569 -4.432 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.498 -3.001 -5.063 1.00 0.32 C ATOM 144 CD2 TYR A 19 2.935 -4.881 -4.771 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.756 -3.710 -5.992 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.199 -5.594 -5.697 1.00 0.59 C ATOM 147 CZ TYR A 19 1.111 -5.006 -6.305 1.00 0.52 C ATOM 148 OH TYR A 19 0.378 -5.722 -7.230 1.00 0.61 O ATOM 0 H TYR A 19 4.747 -2.066 -1.447 1.00 0.21 H new ATOM 0 HA TYR A 19 1.965 -2.366 -1.862 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.407 -1.738 -3.678 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.443 -3.131 -3.440 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.216 -1.986 -4.823 1.00 0.32 H new ATOM 0 HD2 TYR A 19 3.787 -5.348 -4.300 1.00 0.52 H new ATOM 0 HE1 TYR A 19 -0.097 -3.251 -6.470 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.475 -6.609 -5.944 1.00 0.59 H new ATOM 0 HH TYR A 19 0.096 -5.127 -7.956 1.00 0.61 H new ATOM 158 N GLU A 20 3.662 -5.129 -1.294 1.00 0.32 N ATOM 159 CA GLU A 20 3.529 -6.539 -0.968 1.00 0.40 C ATOM 160 C GLU A 20 2.699 -6.742 0.292 1.00 0.35 C ATOM 161 O GLU A 20 1.892 -7.670 0.365 1.00 0.35 O ATOM 162 CB GLU A 20 4.908 -7.165 -0.806 1.00 0.51 C ATOM 163 CG GLU A 20 5.462 -7.718 -2.108 1.00 1.21 C ATOM 164 CD GLU A 20 6.624 -8.667 -1.894 1.00 1.65 C ATOM 165 OE1 GLU A 20 6.667 -9.342 -0.840 1.00 2.35 O ATOM 166 OE2 GLU A 20 7.494 -8.744 -2.782 1.00 1.93 O ATOM 0 H GLU A 20 4.617 -4.773 -1.245 1.00 0.32 H new ATOM 0 HA GLU A 20 3.007 -7.031 -1.788 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.597 -6.418 -0.412 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.853 -7.967 -0.070 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.668 -8.238 -2.644 1.00 1.21 H new ATOM 0 HG3 GLU A 20 5.785 -6.891 -2.741 1.00 1.21 H new ATOM 173 N ARG A 21 2.890 -5.878 1.284 1.00 0.33 N ATOM 174 CA ARG A 21 2.147 -5.977 2.539 1.00 0.32 C ATOM 175 C ARG A 21 0.679 -5.632 2.324 1.00 0.26 C ATOM 176 O ARG A 21 -0.206 -6.218 2.949 1.00 0.29 O ATOM 177 CB ARG A 21 2.754 -5.039 3.583 1.00 0.34 C ATOM 178 CG ARG A 21 2.562 -5.498 5.019 1.00 0.48 C ATOM 179 CD ARG A 21 3.567 -6.568 5.418 1.00 0.87 C ATOM 180 NE ARG A 21 2.915 -7.726 6.031 1.00 1.73 N ATOM 181 CZ ARG A 21 3.003 -8.973 5.562 1.00 2.60 C ATOM 182 NH1 ARG A 21 3.745 -9.229 4.491 1.00 2.99 N ATOM 183 NH2 ARG A 21 2.357 -9.963 6.172 1.00 3.57 N ATOM 0 H ARG A 21 3.551 -5.102 1.245 1.00 0.33 H new ATOM 0 HA ARG A 21 2.213 -7.004 2.898 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.821 -4.936 3.386 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.311 -4.050 3.467 1.00 0.34 H new ATOM 0 HG2 ARG A 21 2.659 -4.643 5.688 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.551 -5.887 5.143 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.125 -6.889 4.538 1.00 0.87 H new ATOM 0 HD3 ARG A 21 4.289 -6.146 6.117 1.00 0.87 H new ATOM 0 HE ARG A 21 2.357 -7.570 6.871 1.00 1.73 H new ATOM 0 HH11 ARG A 21 4.248 -8.473 4.026 1.00 2.99 H new ATOM 0 HH12 ARG A 21 3.812 -10.182 4.133 1.00 2.99 H new ATOM 0 HH21 ARG A 21 1.793 -9.770 7.000 1.00 3.57 H new ATOM 0 HH22 ARG A 21 2.426 -10.915 5.812 1.00 3.57 H new ATOM 197 N LEU A 22 0.433 -4.697 1.417 1.00 0.22 N ATOM 198 CA LEU A 22 -0.921 -4.280 1.088 1.00 0.20 C ATOM 199 C LEU A 22 -1.614 -5.378 0.298 1.00 0.23 C ATOM 200 O LEU A 22 -2.812 -5.600 0.435 1.00 0.24 O ATOM 201 CB LEU A 22 -0.893 -2.993 0.266 1.00 0.22 C ATOM 202 CG LEU A 22 -0.740 -1.708 1.068 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.019 -0.654 0.249 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.100 -1.207 1.493 1.00 0.33 C ATOM 0 H LEU A 22 1.160 -4.210 0.893 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.469 -4.095 2.012 1.00 0.20 H new ATOM 0 HB2 LEU A 22 -0.071 -3.056 -0.448 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.814 -2.932 -0.313 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.145 -1.915 1.957 1.00 0.24 H new ATOM 0 HD11 LEU A 22 0.082 0.258 0.837 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.970 -1.020 -0.025 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.590 -0.441 -0.655 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -1.986 -0.287 2.067 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.708 -1.011 0.610 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.589 -1.961 2.110 1.00 0.33 H new ATOM 216 N ARG A 23 -0.843 -6.072 -0.520 1.00 0.27 N ATOM 217 CA ARG A 23 -1.381 -7.153 -1.319 1.00 0.32 C ATOM 218 C ARG A 23 -1.687 -8.354 -0.432 1.00 0.31 C ATOM 219 O ARG A 23 -2.685 -9.046 -0.632 1.00 0.34 O ATOM 220 CB ARG A 23 -0.388 -7.538 -2.408 1.00 0.39 C ATOM 221 CG ARG A 23 -1.011 -8.321 -3.547 1.00 0.82 C ATOM 222 CD ARG A 23 0.020 -9.196 -4.238 1.00 1.40 C ATOM 223 NE ARG A 23 -0.237 -9.293 -5.668 1.00 1.98 N ATOM 224 CZ ARG A 23 0.644 -9.726 -6.564 1.00 2.61 C ATOM 225 NH1 ARG A 23 1.853 -10.132 -6.187 1.00 3.01 N ATOM 226 NH2 ARG A 23 0.301 -9.763 -7.841 1.00 3.33 N ATOM 0 H ARG A 23 0.155 -5.905 -0.647 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.306 -6.822 -1.790 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.069 -6.633 -2.808 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.412 -8.131 -1.965 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -1.822 -8.942 -3.165 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.450 -7.632 -4.269 1.00 0.82 H new ATOM 0 HD2 ARG A 23 1.016 -8.786 -4.073 1.00 1.40 H new ATOM 0 HD3 ARG A 23 0.008 -10.192 -3.796 1.00 1.40 H new ATOM 0 HE ARG A 23 -1.157 -9.009 -6.005 1.00 1.98 H new ATOM 0 HH11 ARG A 23 2.113 -10.113 -5.201 1.00 3.01 H new ATOM 0 HH12 ARG A 23 2.520 -10.462 -6.884 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -0.630 -9.461 -8.128 1.00 3.33 H new ATOM 0 HH22 ARG A 23 0.968 -10.093 -8.539 1.00 3.33 H new ATOM 240 N GLU A 24 -0.840 -8.575 0.568 1.00 0.31 N ATOM 241 CA GLU A 24 -1.031 -9.670 1.500 1.00 0.33 C ATOM 242 C GLU A 24 -2.250 -9.381 2.361 1.00 0.28 C ATOM 243 O GLU A 24 -3.039 -10.272 2.674 1.00 0.30 O ATOM 244 CB GLU A 24 0.217 -9.841 2.381 1.00 0.38 C ATOM 245 CG GLU A 24 0.684 -11.279 2.531 1.00 0.61 C ATOM 246 CD GLU A 24 0.359 -12.131 1.323 1.00 1.63 C ATOM 247 OE1 GLU A 24 0.951 -11.890 0.252 1.00 2.24 O ATOM 248 OE2 GLU A 24 -0.501 -13.032 1.436 1.00 2.36 O ATOM 0 H GLU A 24 -0.013 -8.006 0.750 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.188 -10.596 0.948 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.029 -9.250 1.959 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.008 -9.434 3.370 1.00 0.38 H new ATOM 0 HG2 GLU A 24 1.761 -11.291 2.699 1.00 0.61 H new ATOM 0 HG3 GLU A 24 0.219 -11.717 3.414 1.00 0.61 H new ATOM 255 N LEU A 25 -2.410 -8.111 2.713 1.00 0.24 N ATOM 256 CA LEU A 25 -3.539 -7.678 3.512 1.00 0.22 C ATOM 257 C LEU A 25 -4.812 -7.790 2.681 1.00 0.18 C ATOM 258 O LEU A 25 -5.869 -8.166 3.184 1.00 0.20 O ATOM 259 CB LEU A 25 -3.330 -6.231 3.981 1.00 0.22 C ATOM 260 CG LEU A 25 -3.700 -5.946 5.442 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.269 -4.557 5.594 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.692 -6.952 5.988 1.00 0.28 C ATOM 0 H LEU A 25 -1.766 -7.363 2.454 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.628 -8.313 4.393 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.283 -5.968 3.833 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.918 -5.573 3.341 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.777 -6.029 6.016 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.523 -4.380 6.639 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.530 -3.824 5.271 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.166 -4.462 4.982 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.923 -6.709 7.025 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.606 -6.920 5.395 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -4.261 -7.952 5.937 1.00 0.28 H new ATOM 274 N SER A 26 -4.687 -7.468 1.394 1.00 0.17 N ATOM 275 CA SER A 26 -5.793 -7.524 0.454 1.00 0.16 C ATOM 276 C SER A 26 -6.289 -8.961 0.260 1.00 0.19 C ATOM 277 O SER A 26 -7.489 -9.201 0.126 1.00 0.22 O ATOM 278 CB SER A 26 -5.348 -6.906 -0.883 1.00 0.19 C ATOM 279 OG SER A 26 -5.852 -5.592 -1.038 1.00 0.86 O ATOM 0 H SER A 26 -3.808 -7.160 0.977 1.00 0.17 H new ATOM 0 HA SER A 26 -6.629 -6.952 0.855 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.259 -6.888 -0.933 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.694 -7.530 -1.707 1.00 0.19 H new ATOM 0 HG SER A 26 -5.592 -5.243 -1.916 1.00 0.86 H new ATOM 285 N LEU A 27 -5.379 -9.920 0.271 1.00 0.23 N ATOM 286 CA LEU A 27 -5.768 -11.311 0.112 1.00 0.28 C ATOM 287 C LEU A 27 -6.420 -11.822 1.384 1.00 0.29 C ATOM 288 O LEU A 27 -7.291 -12.690 1.349 1.00 0.34 O ATOM 289 CB LEU A 27 -4.554 -12.161 -0.242 1.00 0.33 C ATOM 290 CG LEU A 27 -4.487 -12.608 -1.705 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.114 -11.436 -2.601 1.00 0.54 C ATOM 292 CD2 LEU A 27 -3.495 -13.743 -1.870 1.00 0.60 C ATOM 0 H LEU A 27 -4.378 -9.765 0.387 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.490 -11.382 -0.701 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.652 -11.596 -0.008 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.550 -13.046 0.394 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.472 -12.969 -2.002 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.070 -11.770 -3.638 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -4.864 -10.651 -2.504 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.140 -11.047 -2.304 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -3.461 -14.047 -2.916 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -2.506 -13.410 -1.557 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -3.804 -14.589 -1.256 1.00 0.60 H new ATOM 304 N ASN A 28 -5.997 -11.271 2.513 1.00 0.28 N ATOM 305 CA ASN A 28 -6.543 -11.675 3.798 1.00 0.35 C ATOM 306 C ASN A 28 -7.919 -11.048 4.041 1.00 0.35 C ATOM 307 O ASN A 28 -8.904 -11.762 4.215 1.00 0.42 O ATOM 308 CB ASN A 28 -5.561 -11.310 4.923 1.00 0.41 C ATOM 309 CG ASN A 28 -6.233 -11.117 6.265 1.00 0.84 C ATOM 310 OD1 ASN A 28 -6.772 -12.054 6.852 1.00 1.14 O ATOM 311 ND2 ASN A 28 -6.212 -9.900 6.759 1.00 1.31 N ATOM 0 H ASN A 28 -5.281 -10.547 2.564 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.679 -12.756 3.791 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.811 -12.096 5.010 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.034 -10.395 4.653 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -6.652 -9.707 7.659 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -5.755 -9.148 6.243 1.00 1.31 H new ATOM 318 N LEU A 29 -7.991 -9.720 4.049 1.00 0.33 N ATOM 319 CA LEU A 29 -9.256 -9.029 4.279 1.00 0.38 C ATOM 320 C LEU A 29 -10.260 -9.351 3.187 1.00 0.40 C ATOM 321 O LEU A 29 -11.465 -9.402 3.429 1.00 0.49 O ATOM 322 CB LEU A 29 -9.055 -7.513 4.329 1.00 0.40 C ATOM 323 CG LEU A 29 -8.233 -6.996 5.508 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.766 -5.576 5.245 1.00 0.36 C ATOM 325 CD2 LEU A 29 -9.038 -7.055 6.793 1.00 0.39 C ATOM 0 H LEU A 29 -7.192 -9.103 3.900 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.639 -9.376 5.239 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.570 -7.198 3.405 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -10.034 -7.035 4.354 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.359 -7.637 5.621 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.182 -5.222 6.094 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -7.149 -5.556 4.347 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.632 -4.928 5.105 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.433 -6.682 7.619 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.932 -6.439 6.691 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -9.329 -8.086 6.993 1.00 0.39 H new ATOM 337 N GLY A 30 -9.756 -9.545 1.980 1.00 0.35 N ATOM 338 CA GLY A 30 -10.618 -9.827 0.851 1.00 0.43 C ATOM 339 C GLY A 30 -11.398 -11.126 0.982 1.00 0.53 C ATOM 340 O GLY A 30 -12.590 -11.161 0.673 1.00 0.65 O ATOM 0 H GLY A 30 -8.761 -9.512 1.760 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.321 -9.003 0.728 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.013 -9.867 -0.055 1.00 0.43 H new ATOM 344 N ASN A 31 -10.730 -12.190 1.418 1.00 0.53 N ATOM 345 CA ASN A 31 -11.378 -13.499 1.569 1.00 0.66 C ATOM 346 C ASN A 31 -12.109 -13.595 2.900 1.00 0.71 C ATOM 347 O ASN A 31 -12.915 -14.502 3.123 1.00 0.84 O ATOM 348 CB ASN A 31 -10.341 -14.623 1.481 1.00 0.70 C ATOM 349 CG ASN A 31 -10.937 -15.933 0.990 1.00 1.17 C ATOM 350 OD1 ASN A 31 -11.293 -16.060 -0.183 1.00 1.94 O ATOM 351 ND2 ASN A 31 -11.048 -16.923 1.873 1.00 1.52 N ATOM 0 H ASN A 31 -9.743 -12.177 1.674 1.00 0.53 H new ATOM 0 HA ASN A 31 -12.100 -13.606 0.760 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.538 -14.319 0.809 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.894 -14.777 2.463 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -11.438 -17.821 1.586 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.743 -16.784 2.836 1.00 1.52 H new ATOM 358 N ARG A 32 -11.825 -12.650 3.790 1.00 0.66 N ATOM 359 CA ARG A 32 -12.450 -12.629 5.101 1.00 0.77 C ATOM 360 C ARG A 32 -13.736 -11.811 5.073 1.00 0.86 C ATOM 361 O ARG A 32 -14.492 -11.771 6.048 1.00 1.01 O ATOM 362 CB ARG A 32 -11.482 -12.042 6.123 1.00 0.76 C ATOM 363 CG ARG A 32 -11.633 -12.644 7.504 1.00 0.91 C ATOM 364 CD ARG A 32 -11.400 -11.601 8.579 1.00 1.14 C ATOM 365 NE ARG A 32 -12.374 -10.512 8.496 1.00 2.09 N ATOM 366 CZ ARG A 32 -12.363 -9.432 9.273 1.00 2.75 C ATOM 367 NH1 ARG A 32 -11.413 -9.270 10.188 1.00 2.70 N ATOM 368 NH2 ARG A 32 -13.299 -8.507 9.117 1.00 3.82 N ATOM 0 H ARG A 32 -11.165 -11.890 3.624 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.700 -13.652 5.384 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.460 -12.197 5.776 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.638 -10.965 6.184 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.632 -13.067 7.613 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -10.924 -13.463 7.627 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -11.461 -12.070 9.561 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -10.393 -11.197 8.482 1.00 1.14 H new ATOM 0 HE ARG A 32 -13.111 -10.586 7.795 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -10.685 -9.976 10.298 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -11.411 -8.439 10.780 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -14.020 -8.626 8.406 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -13.298 -7.676 9.708 1.00 3.82 H new ATOM 382 N MET A 33 -13.984 -11.174 3.932 1.00 0.83 N ATOM 383 CA MET A 33 -15.178 -10.363 3.730 1.00 0.96 C ATOM 384 C MET A 33 -16.231 -11.193 3.016 1.00 1.17 C ATOM 385 O MET A 33 -15.896 -12.122 2.283 1.00 1.55 O ATOM 386 CB MET A 33 -14.849 -9.105 2.912 1.00 0.80 C ATOM 387 CG MET A 33 -15.219 -7.806 3.612 1.00 0.95 C ATOM 388 SD MET A 33 -14.363 -6.377 2.919 1.00 1.18 S ATOM 389 CE MET A 33 -12.914 -6.292 3.969 1.00 1.84 C ATOM 0 H MET A 33 -13.363 -11.206 3.123 1.00 0.83 H new ATOM 0 HA MET A 33 -15.560 -10.044 4.700 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.782 -9.096 2.689 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.374 -9.155 1.958 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.295 -7.651 3.538 1.00 0.95 H new ATOM 0 HG3 MET A 33 -14.981 -7.888 4.673 1.00 0.95 H new ATOM 0 HE1 MET A 33 -12.743 -5.259 4.271 1.00 1.84 H new ATOM 0 HE2 MET A 33 -13.070 -6.907 4.855 1.00 1.84 H new ATOM 0 HE3 MET A 33 -12.046 -6.658 3.421 1.00 1.84 H new ATOM 399 N VAL A 34 -17.499 -10.875 3.230 1.00 1.22 N ATOM 400 CA VAL A 34 -18.582 -11.612 2.596 1.00 1.41 C ATOM 401 C VAL A 34 -19.586 -10.650 1.978 1.00 1.54 C ATOM 402 O VAL A 34 -20.163 -9.822 2.683 1.00 1.66 O ATOM 403 CB VAL A 34 -19.321 -12.525 3.599 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.116 -13.583 2.865 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.346 -13.172 4.570 1.00 1.64 C ATOM 0 H VAL A 34 -17.803 -10.113 3.836 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.133 -12.236 1.823 1.00 1.41 H new ATOM 0 HB VAL A 34 -20.010 -11.906 4.174 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.630 -14.218 3.587 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.849 -13.103 2.217 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.442 -14.192 2.262 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.893 -13.809 5.265 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.626 -13.774 4.016 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.819 -12.397 5.127 1.00 1.64 H new ATOM 415 N PRO A 35 -19.817 -10.729 0.658 1.00 1.58 N ATOM 416 CA PRO A 35 -19.154 -11.691 -0.231 1.00 1.51 C ATOM 417 C PRO A 35 -17.674 -11.365 -0.401 1.00 1.32 C ATOM 418 O PRO A 35 -17.291 -10.192 -0.374 1.00 1.30 O ATOM 419 CB PRO A 35 -19.893 -11.528 -1.565 1.00 1.71 C ATOM 420 CG PRO A 35 -21.121 -10.725 -1.253 1.00 1.86 C ATOM 421 CD PRO A 35 -20.759 -9.873 -0.072 1.00 1.75 C ATOM 0 HA PRO A 35 -19.193 -12.707 0.161 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -19.268 -11.019 -2.299 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.156 -12.498 -1.988 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -21.414 -10.110 -2.104 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.966 -11.374 -1.023 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.301 -8.932 -0.376 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.632 -9.623 0.531 1.00 1.75 H new ATOM 429 N PRO A 36 -16.828 -12.395 -0.570 1.00 1.22 N ATOM 430 CA PRO A 36 -15.389 -12.205 -0.736 1.00 1.08 C ATOM 431 C PRO A 36 -15.046 -11.275 -1.894 1.00 1.17 C ATOM 432 O PRO A 36 -15.542 -11.426 -3.013 1.00 1.42 O ATOM 433 CB PRO A 36 -14.866 -13.616 -1.010 1.00 1.12 C ATOM 434 CG PRO A 36 -15.886 -14.519 -0.398 1.00 1.14 C ATOM 435 CD PRO A 36 -17.209 -13.821 -0.605 1.00 1.27 C ATOM 0 HA PRO A 36 -14.945 -11.735 0.141 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -14.763 -13.800 -2.079 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.883 -13.768 -0.565 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.880 -15.500 -0.874 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.686 -14.678 0.662 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.668 -14.095 -1.555 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.925 -14.069 0.178 1.00 1.27 H new ATOM 443 N VAL A 37 -14.201 -10.305 -1.609 1.00 0.99 N ATOM 444 CA VAL A 37 -13.783 -9.333 -2.603 1.00 1.08 C ATOM 445 C VAL A 37 -12.775 -9.952 -3.561 1.00 1.24 C ATOM 446 O VAL A 37 -12.568 -9.458 -4.672 1.00 2.02 O ATOM 447 CB VAL A 37 -13.137 -8.092 -1.952 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.394 -6.853 -2.792 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.632 -7.893 -0.520 1.00 0.81 C ATOM 0 H VAL A 37 -13.786 -10.167 -0.688 1.00 0.99 H new ATOM 0 HA VAL A 37 -14.679 -9.026 -3.142 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.061 -8.259 -1.907 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -12.931 -5.989 -2.316 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -12.968 -6.992 -3.786 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.468 -6.688 -2.878 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.158 -7.011 -0.090 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.714 -7.758 -0.524 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.378 -8.769 0.078 1.00 0.81 H new ATOM 459 N GLY A 38 -12.139 -11.029 -3.109 1.00 1.18 N ATOM 460 CA GLY A 38 -11.122 -11.701 -3.902 1.00 1.27 C ATOM 461 C GLY A 38 -9.846 -10.898 -3.867 1.00 1.09 C ATOM 462 O GLY A 38 -8.902 -11.222 -3.148 1.00 1.23 O ATOM 0 H GLY A 38 -12.312 -11.453 -2.197 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -10.945 -12.703 -3.512 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -11.464 -11.815 -4.931 1.00 1.27 H new ATOM 466 N ASN A 39 -9.857 -9.799 -4.594 1.00 0.92 N ATOM 467 CA ASN A 39 -8.741 -8.882 -4.617 1.00 0.82 C ATOM 468 C ASN A 39 -9.178 -7.590 -3.940 1.00 0.64 C ATOM 469 O ASN A 39 -9.440 -6.598 -4.608 1.00 0.74 O ATOM 470 CB ASN A 39 -8.247 -8.612 -6.055 1.00 0.99 C ATOM 471 CG ASN A 39 -9.373 -8.355 -7.041 1.00 1.44 C ATOM 472 OD1 ASN A 39 -9.744 -7.210 -7.290 1.00 2.12 O ATOM 473 ND2 ASN A 39 -9.911 -9.409 -7.628 1.00 2.13 N ATOM 0 H ASN A 39 -10.640 -9.519 -5.184 1.00 0.92 H new ATOM 0 HA ASN A 39 -7.900 -9.324 -4.082 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -7.578 -7.751 -6.046 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -7.662 -9.466 -6.397 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -10.658 -9.286 -8.311 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -9.579 -10.346 -7.398 1.00 2.13 H new ATOM 480 N PHE A 40 -9.256 -7.652 -2.597 1.00 0.46 N ATOM 481 CA PHE A 40 -9.657 -6.527 -1.723 1.00 0.32 C ATOM 482 C PHE A 40 -9.446 -5.184 -2.411 1.00 0.28 C ATOM 483 O PHE A 40 -10.401 -4.543 -2.847 1.00 0.52 O ATOM 484 CB PHE A 40 -8.843 -6.620 -0.436 1.00 0.24 C ATOM 485 CG PHE A 40 -9.179 -5.631 0.644 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.487 -5.311 0.957 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.156 -5.040 1.362 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.767 -4.413 1.968 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.421 -4.142 2.371 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.732 -3.823 2.677 1.00 0.33 C ATOM 0 H PHE A 40 -9.038 -8.502 -2.076 1.00 0.46 H new ATOM 0 HA PHE A 40 -10.722 -6.595 -1.499 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -8.963 -7.624 -0.028 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -7.789 -6.503 -0.690 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.296 -5.767 0.406 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.131 -5.287 1.127 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.792 -4.170 2.206 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.610 -3.689 2.921 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.948 -3.117 3.465 1.00 0.33 H new ATOM 500 N MET A 41 -8.197 -4.785 -2.548 1.00 0.22 N ATOM 501 CA MET A 41 -7.870 -3.555 -3.228 1.00 0.18 C ATOM 502 C MET A 41 -7.217 -3.881 -4.567 1.00 0.20 C ATOM 503 O MET A 41 -6.347 -4.749 -4.638 1.00 0.24 O ATOM 504 CB MET A 41 -6.927 -2.731 -2.364 1.00 0.17 C ATOM 505 CG MET A 41 -6.874 -1.274 -2.748 1.00 0.21 C ATOM 506 SD MET A 41 -8.510 -0.524 -2.826 1.00 0.28 S ATOM 507 CE MET A 41 -8.504 0.423 -1.314 1.00 0.25 C ATOM 0 H MET A 41 -7.391 -5.300 -2.194 1.00 0.22 H new ATOM 0 HA MET A 41 -8.776 -2.976 -3.406 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.238 -2.812 -1.322 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.924 -3.153 -2.432 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.263 -0.733 -2.025 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.385 -1.174 -3.717 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.388 1.059 -1.280 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.511 -0.255 -0.460 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.609 1.044 -1.277 1.00 0.25 H new ATOM 517 N PRO A 42 -7.643 -3.219 -5.658 1.00 0.20 N ATOM 518 CA PRO A 42 -7.089 -3.473 -6.992 1.00 0.24 C ATOM 519 C PRO A 42 -5.582 -3.231 -7.046 1.00 0.21 C ATOM 520 O PRO A 42 -5.064 -2.349 -6.359 1.00 0.20 O ATOM 521 CB PRO A 42 -7.817 -2.473 -7.894 1.00 0.29 C ATOM 522 CG PRO A 42 -9.053 -2.106 -7.145 1.00 0.27 C ATOM 523 CD PRO A 42 -8.704 -2.198 -5.686 1.00 0.23 C ATOM 0 HA PRO A 42 -7.230 -4.511 -7.292 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.200 -1.596 -8.090 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.058 -2.916 -8.860 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.380 -1.099 -7.404 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.872 -2.781 -7.392 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.354 -1.243 -5.295 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.563 -2.494 -5.084 1.00 0.23 H new ATOM 531 N ASP A 43 -4.893 -4.023 -7.869 1.00 0.23 N ATOM 532 CA ASP A 43 -3.440 -3.924 -8.032 1.00 0.23 C ATOM 533 C ASP A 43 -3.000 -2.487 -8.330 1.00 0.22 C ATOM 534 O ASP A 43 -1.967 -2.021 -7.834 1.00 0.23 O ATOM 535 CB ASP A 43 -2.995 -4.855 -9.167 1.00 0.29 C ATOM 536 CG ASP A 43 -1.782 -4.344 -9.925 1.00 0.78 C ATOM 537 OD1 ASP A 43 -0.639 -4.540 -9.444 1.00 1.51 O ATOM 538 OD2 ASP A 43 -1.960 -3.733 -10.994 1.00 1.08 O ATOM 0 H ASP A 43 -5.324 -4.750 -8.440 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.969 -4.224 -7.096 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -2.768 -5.838 -8.753 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.822 -4.986 -9.865 1.00 0.29 H new ATOM 543 N SER A 44 -3.790 -1.798 -9.145 1.00 0.23 N ATOM 544 CA SER A 44 -3.504 -0.422 -9.530 1.00 0.25 C ATOM 545 C SER A 44 -3.536 0.510 -8.324 1.00 0.23 C ATOM 546 O SER A 44 -2.627 1.325 -8.137 1.00 0.26 O ATOM 547 CB SER A 44 -4.524 0.029 -10.570 1.00 0.32 C ATOM 548 OG SER A 44 -5.468 -1.004 -10.810 1.00 0.57 O ATOM 0 H SER A 44 -4.644 -2.176 -9.556 1.00 0.23 H new ATOM 0 HA SER A 44 -2.500 -0.380 -9.953 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.036 0.926 -10.223 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.016 0.291 -11.498 1.00 0.32 H new ATOM 0 HG SER A 44 -5.050 -1.711 -11.344 1.00 0.57 H new ATOM 554 N ILE A 45 -4.578 0.381 -7.505 1.00 0.21 N ATOM 555 CA ILE A 45 -4.719 1.214 -6.316 1.00 0.21 C ATOM 556 C ILE A 45 -3.637 0.893 -5.287 1.00 0.17 C ATOM 557 O ILE A 45 -3.101 1.795 -4.645 1.00 0.18 O ATOM 558 CB ILE A 45 -6.106 1.053 -5.654 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.227 1.246 -6.689 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.255 2.029 -4.495 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.856 2.626 -6.686 1.00 0.34 C ATOM 0 H ILE A 45 -5.334 -0.290 -7.643 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.611 2.246 -6.650 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.188 0.041 -5.259 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.825 1.046 -7.682 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.005 0.506 -6.505 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.237 1.904 -4.038 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.482 1.833 -3.752 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.153 3.050 -4.864 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.636 2.672 -7.446 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -8.292 2.825 -5.707 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -7.093 3.374 -6.903 1.00 0.34 H new ATOM 573 N LEU A 46 -3.308 -0.392 -5.148 1.00 0.16 N ATOM 574 CA LEU A 46 -2.281 -0.819 -4.199 1.00 0.16 C ATOM 575 C LEU A 46 -0.929 -0.193 -4.534 1.00 0.16 C ATOM 576 O LEU A 46 -0.165 0.164 -3.644 1.00 0.19 O ATOM 577 CB LEU A 46 -2.138 -2.351 -4.191 1.00 0.18 C ATOM 578 CG LEU A 46 -3.356 -3.151 -3.705 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.204 -4.617 -4.087 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.529 -2.998 -2.201 1.00 0.19 C ATOM 0 H LEU A 46 -3.736 -1.151 -5.678 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.597 -0.483 -3.211 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.898 -2.676 -5.203 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.286 -2.611 -3.562 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.251 -2.759 -4.189 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.072 -5.176 -3.738 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.128 -4.705 -5.171 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.303 -5.022 -3.626 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.397 -3.571 -1.874 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.638 -3.367 -1.693 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.677 -1.946 -1.957 1.00 0.19 H new ATOM 592 N LYS A 47 -0.632 -0.069 -5.822 1.00 0.17 N ATOM 593 CA LYS A 47 0.640 0.502 -6.256 1.00 0.19 C ATOM 594 C LYS A 47 0.739 1.996 -5.962 1.00 0.18 C ATOM 595 O LYS A 47 1.759 2.463 -5.452 1.00 0.20 O ATOM 596 CB LYS A 47 0.846 0.267 -7.747 1.00 0.24 C ATOM 597 CG LYS A 47 1.570 -1.028 -8.053 1.00 0.31 C ATOM 598 CD LYS A 47 1.718 -1.234 -9.543 1.00 0.44 C ATOM 599 CE LYS A 47 0.363 -1.336 -10.210 1.00 0.88 C ATOM 600 NZ LYS A 47 0.337 -2.380 -11.268 1.00 0.97 N ATOM 0 H LYS A 47 -1.250 -0.354 -6.582 1.00 0.17 H new ATOM 0 HA LYS A 47 1.421 -0.003 -5.687 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.124 0.260 -8.244 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.412 1.100 -8.165 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.555 -1.016 -7.586 1.00 0.31 H new ATOM 0 HG3 LYS A 47 1.022 -1.865 -7.620 1.00 0.31 H new ATOM 0 HD2 LYS A 47 2.279 -0.405 -9.975 1.00 0.44 H new ATOM 0 HD3 LYS A 47 2.291 -2.141 -9.734 1.00 0.44 H new ATOM 0 HE2 LYS A 47 -0.394 -1.563 -9.459 1.00 0.88 H new ATOM 0 HE3 LYS A 47 0.101 -0.372 -10.646 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 -0.641 -2.704 -11.412 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.704 -1.983 -12.156 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.929 -3.184 -10.977 1.00 0.97 H new ATOM 614 N LYS A 48 -0.310 2.749 -6.284 1.00 0.17 N ATOM 615 CA LYS A 48 -0.300 4.190 -6.045 1.00 0.18 C ATOM 616 C LYS A 48 -0.351 4.486 -4.556 1.00 0.18 C ATOM 617 O LYS A 48 0.331 5.387 -4.062 1.00 0.20 O ATOM 618 CB LYS A 48 -1.469 4.886 -6.752 1.00 0.20 C ATOM 619 CG LYS A 48 -2.765 4.094 -6.743 1.00 0.31 C ATOM 620 CD LYS A 48 -3.920 4.906 -7.288 1.00 0.32 C ATOM 621 CE LYS A 48 -4.084 4.707 -8.780 1.00 0.45 C ATOM 622 NZ LYS A 48 -5.253 5.455 -9.306 1.00 0.77 N ATOM 0 H LYS A 48 -1.167 2.392 -6.706 1.00 0.17 H new ATOM 0 HA LYS A 48 0.630 4.581 -6.457 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.643 5.851 -6.277 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.186 5.086 -7.785 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.643 3.189 -7.339 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.991 3.777 -5.725 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.840 4.619 -6.779 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.755 5.963 -7.077 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -3.180 5.036 -9.293 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.204 3.645 -8.995 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -5.126 5.626 -10.324 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -6.118 4.899 -9.154 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.335 6.365 -8.809 1.00 0.77 H new ATOM 636 N MET A 49 -1.159 3.713 -3.841 1.00 0.17 N ATOM 637 CA MET A 49 -1.319 3.865 -2.402 1.00 0.17 C ATOM 638 C MET A 49 -0.019 3.529 -1.676 1.00 0.17 C ATOM 639 O MET A 49 0.281 4.109 -0.639 1.00 0.19 O ATOM 640 CB MET A 49 -2.499 3.012 -1.917 1.00 0.17 C ATOM 641 CG MET A 49 -2.120 1.855 -1.019 1.00 0.19 C ATOM 642 SD MET A 49 -3.114 0.384 -1.340 1.00 1.07 S ATOM 643 CE MET A 49 -4.598 0.747 -0.410 1.00 0.22 C ATOM 0 H MET A 49 -1.721 2.963 -4.243 1.00 0.17 H new ATOM 0 HA MET A 49 -1.547 4.905 -2.169 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.198 3.655 -1.382 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.027 2.621 -2.786 1.00 0.17 H new ATOM 0 HG2 MET A 49 -1.066 1.617 -1.162 1.00 0.19 H new ATOM 0 HG3 MET A 49 -2.241 2.152 0.023 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.472 0.442 -0.986 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.578 0.203 0.534 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.650 1.817 -0.211 1.00 0.22 H new ATOM 653 N ALA A 50 0.755 2.606 -2.233 1.00 0.16 N ATOM 654 CA ALA A 50 2.026 2.215 -1.632 1.00 0.17 C ATOM 655 C ALA A 50 3.130 3.214 -1.967 1.00 0.18 C ATOM 656 O ALA A 50 4.041 3.436 -1.166 1.00 0.22 O ATOM 657 CB ALA A 50 2.425 0.826 -2.104 1.00 0.19 C ATOM 0 H ALA A 50 0.527 2.115 -3.097 1.00 0.16 H new ATOM 0 HA ALA A 50 1.894 2.205 -0.550 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.375 0.546 -1.649 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.658 0.109 -1.813 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.529 0.826 -3.189 1.00 0.19 H new ATOM 663 N ALA A 51 3.062 3.802 -3.154 1.00 0.18 N ATOM 664 CA ALA A 51 4.077 4.759 -3.579 1.00 0.22 C ATOM 665 C ALA A 51 3.865 6.123 -2.931 1.00 0.24 C ATOM 666 O ALA A 51 4.815 6.753 -2.474 1.00 0.30 O ATOM 667 CB ALA A 51 4.083 4.889 -5.098 1.00 0.25 C ATOM 0 H ALA A 51 2.321 3.636 -3.835 1.00 0.18 H new ATOM 0 HA ALA A 51 5.046 4.382 -3.253 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.846 5.607 -5.399 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.301 3.919 -5.545 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.106 5.234 -5.438 1.00 0.25 H new ATOM 673 N ILE A 52 2.621 6.571 -2.895 1.00 0.24 N ATOM 674 CA ILE A 52 2.292 7.864 -2.308 1.00 0.28 C ATOM 675 C ILE A 52 2.115 7.736 -0.802 1.00 0.26 C ATOM 676 O ILE A 52 2.468 8.646 -0.052 1.00 0.31 O ATOM 677 CB ILE A 52 0.998 8.444 -2.952 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.338 9.146 -4.276 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.274 9.409 -2.014 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.606 8.203 -5.434 1.00 0.37 C ATOM 0 H ILE A 52 1.820 6.059 -3.265 1.00 0.24 H new ATOM 0 HA ILE A 52 3.117 8.549 -2.506 1.00 0.28 H new ATOM 0 HB ILE A 52 0.324 7.610 -3.145 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.514 9.807 -4.545 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.215 9.775 -4.125 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.622 9.789 -2.504 1.00 0.35 H new ATOM 0 HG22 ILE A 52 -0.006 8.886 -1.100 1.00 0.35 H new ATOM 0 HG23 ILE A 52 0.934 10.241 -1.768 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.838 8.782 -6.328 1.00 0.37 H new ATOM 0 HD12 ILE A 52 2.450 7.558 -5.190 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.723 7.591 -5.617 1.00 0.37 H new ATOM 692 N LEU A 53 1.582 6.597 -0.379 1.00 0.21 N ATOM 693 CA LEU A 53 1.345 6.317 1.033 1.00 0.21 C ATOM 694 C LEU A 53 0.540 7.430 1.694 1.00 0.23 C ATOM 695 O LEU A 53 1.071 8.215 2.483 1.00 0.27 O ATOM 696 CB LEU A 53 2.667 6.104 1.771 1.00 0.24 C ATOM 697 CG LEU A 53 3.246 4.697 1.651 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.524 4.566 2.463 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.223 3.670 2.105 1.00 0.35 C ATOM 0 H LEU A 53 1.302 5.841 -1.004 1.00 0.21 H new ATOM 0 HA LEU A 53 0.760 5.399 1.093 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.399 6.817 1.390 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.519 6.332 2.826 1.00 0.24 H new ATOM 0 HG LEU A 53 3.489 4.514 0.604 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.917 3.555 2.362 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.262 5.281 2.098 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.311 4.769 3.513 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.647 2.670 2.015 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.955 3.858 3.145 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.332 3.744 1.482 1.00 0.35 H new ATOM 711 N PRO A 54 -0.756 7.513 1.367 1.00 0.24 N ATOM 712 CA PRO A 54 -1.653 8.531 1.912 1.00 0.30 C ATOM 713 C PRO A 54 -2.004 8.271 3.374 1.00 0.40 C ATOM 714 O PRO A 54 -2.775 7.364 3.694 1.00 0.48 O ATOM 715 CB PRO A 54 -2.909 8.425 1.034 1.00 0.36 C ATOM 716 CG PRO A 54 -2.545 7.514 -0.091 1.00 0.25 C ATOM 717 CD PRO A 54 -1.456 6.629 0.434 1.00 0.23 C ATOM 0 HA PRO A 54 -1.194 9.520 1.897 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.750 8.028 1.602 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -3.210 9.404 0.662 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.405 6.927 -0.412 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.204 8.080 -0.958 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.855 5.746 0.933 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.800 6.276 -0.362 1.00 0.23 H new ATOM 725 N MET A 55 -1.431 9.074 4.251 1.00 0.49 N ATOM 726 CA MET A 55 -1.665 8.955 5.681 1.00 0.64 C ATOM 727 C MET A 55 -2.951 9.663 6.080 1.00 0.72 C ATOM 728 O MET A 55 -3.614 9.282 7.045 1.00 1.02 O ATOM 729 CB MET A 55 -0.490 9.558 6.445 1.00 0.80 C ATOM 730 CG MET A 55 0.443 8.526 7.038 1.00 1.07 C ATOM 731 SD MET A 55 1.088 9.021 8.651 1.00 1.66 S ATOM 732 CE MET A 55 -0.300 8.614 9.710 1.00 1.52 C ATOM 0 H MET A 55 -0.791 9.826 3.995 1.00 0.49 H new ATOM 0 HA MET A 55 -1.761 7.898 5.928 1.00 0.64 H new ATOM 0 HB2 MET A 55 0.076 10.203 5.773 1.00 0.80 H new ATOM 0 HB3 MET A 55 -0.874 10.190 7.246 1.00 0.80 H new ATOM 0 HG2 MET A 55 -0.085 7.578 7.137 1.00 1.07 H new ATOM 0 HG3 MET A 55 1.275 8.357 6.354 1.00 1.07 H new ATOM 0 HE1 MET A 55 -0.683 9.523 10.174 1.00 1.52 H new ATOM 0 HE2 MET A 55 -1.088 8.151 9.116 1.00 1.52 H new ATOM 0 HE3 MET A 55 0.025 7.920 10.485 1.00 1.52 H new ATOM 742 N ASN A 56 -3.301 10.697 5.333 1.00 0.66 N ATOM 743 CA ASN A 56 -4.511 11.455 5.612 1.00 0.84 C ATOM 744 C ASN A 56 -5.454 11.430 4.423 1.00 0.69 C ATOM 745 O ASN A 56 -5.081 10.997 3.331 1.00 0.59 O ATOM 746 CB ASN A 56 -4.169 12.900 5.973 1.00 1.13 C ATOM 747 CG ASN A 56 -5.053 13.447 7.080 1.00 1.94 C ATOM 748 OD1 ASN A 56 -6.200 13.027 7.238 1.00 2.68 O ATOM 749 ND2 ASN A 56 -4.531 14.390 7.847 1.00 2.34 N ATOM 0 H ASN A 56 -2.767 11.031 4.531 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.010 10.986 6.460 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -3.126 12.956 6.284 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -4.272 13.527 5.087 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -5.083 14.797 8.602 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -3.577 14.710 7.683 1.00 2.34 H new ATOM 756 N ASP A 57 -6.674 11.900 4.638 1.00 0.76 N ATOM 757 CA ASP A 57 -7.681 11.935 3.581 1.00 0.76 C ATOM 758 C ASP A 57 -7.287 12.929 2.495 1.00 0.73 C ATOM 759 O ASP A 57 -7.624 12.754 1.324 1.00 1.11 O ATOM 760 CB ASP A 57 -9.046 12.302 4.149 1.00 0.96 C ATOM 761 CG ASP A 57 -9.950 11.098 4.342 1.00 1.69 C ATOM 762 OD1 ASP A 57 -9.454 10.036 4.774 1.00 2.68 O ATOM 763 OD2 ASP A 57 -11.164 11.208 4.065 1.00 1.77 O ATOM 0 H ASP A 57 -6.994 12.264 5.536 1.00 0.76 H new ATOM 0 HA ASP A 57 -7.741 10.940 3.141 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -8.912 12.806 5.106 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.533 13.012 3.480 1.00 0.96 H new ATOM 768 N SER A 58 -6.541 13.957 2.893 1.00 0.67 N ATOM 769 CA SER A 58 -6.062 14.969 1.964 1.00 0.72 C ATOM 770 C SER A 58 -5.025 14.350 1.028 1.00 0.66 C ATOM 771 O SER A 58 -4.951 14.678 -0.152 1.00 0.77 O ATOM 772 CB SER A 58 -5.450 16.137 2.742 1.00 0.87 C ATOM 773 OG SER A 58 -5.333 15.817 4.125 1.00 1.02 O ATOM 0 H SER A 58 -6.255 14.109 3.860 1.00 0.67 H new ATOM 0 HA SER A 58 -6.895 15.345 1.370 1.00 0.72 H new ATOM 0 HB2 SER A 58 -4.467 16.376 2.335 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.070 17.025 2.621 1.00 0.87 H new ATOM 0 HG SER A 58 -6.205 15.922 4.560 1.00 1.02 H new ATOM 779 N ALA A 59 -4.238 13.432 1.574 1.00 0.58 N ATOM 780 CA ALA A 59 -3.208 12.741 0.813 1.00 0.59 C ATOM 781 C ALA A 59 -3.834 11.753 -0.166 1.00 0.51 C ATOM 782 O ALA A 59 -3.259 11.419 -1.199 1.00 0.59 O ATOM 783 CB ALA A 59 -2.251 12.039 1.757 1.00 0.62 C ATOM 0 H ALA A 59 -4.296 13.147 2.552 1.00 0.58 H new ATOM 0 HA ALA A 59 -2.647 13.473 0.233 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.483 11.524 1.180 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -1.782 12.773 2.412 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -2.800 11.314 2.359 1.00 0.62 H new ATOM 789 N PHE A 60 -5.025 11.282 0.176 1.00 0.40 N ATOM 790 CA PHE A 60 -5.754 10.327 -0.654 1.00 0.37 C ATOM 791 C PHE A 60 -6.129 10.938 -2.003 1.00 0.42 C ATOM 792 O PHE A 60 -6.317 10.220 -2.985 1.00 0.46 O ATOM 793 CB PHE A 60 -7.004 9.813 0.072 1.00 0.33 C ATOM 794 CG PHE A 60 -6.778 8.486 0.730 1.00 0.26 C ATOM 795 CD1 PHE A 60 -6.027 7.517 0.094 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.290 8.211 1.989 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.792 6.299 0.687 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.056 6.987 2.590 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.303 6.031 1.935 1.00 0.24 C ATOM 0 H PHE A 60 -5.513 11.548 1.031 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.093 9.480 -0.841 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.309 10.541 0.824 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.825 9.727 -0.640 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.618 7.719 -0.885 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -7.876 8.958 2.504 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -5.206 5.552 0.172 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.461 6.779 3.569 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.116 5.075 2.402 1.00 0.24 H new ATOM 809 N ALA A 61 -6.234 12.262 -2.044 1.00 0.47 N ATOM 810 CA ALA A 61 -6.581 12.965 -3.273 1.00 0.56 C ATOM 811 C ALA A 61 -5.509 12.777 -4.349 1.00 0.58 C ATOM 812 O ALA A 61 -5.800 12.855 -5.542 1.00 0.64 O ATOM 813 CB ALA A 61 -6.784 14.442 -2.989 1.00 0.67 C ATOM 0 H ALA A 61 -6.083 12.870 -1.239 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.511 12.540 -3.651 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.043 14.958 -3.914 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.590 14.566 -2.266 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -5.865 14.864 -2.583 1.00 0.67 H new ATOM 819 N THR A 62 -4.270 12.519 -3.934 1.00 0.57 N ATOM 820 CA THR A 62 -3.190 12.322 -4.891 1.00 0.64 C ATOM 821 C THR A 62 -3.205 10.909 -5.478 1.00 0.53 C ATOM 822 O THR A 62 -2.372 10.572 -6.323 1.00 0.57 O ATOM 823 CB THR A 62 -1.817 12.617 -4.286 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.898 12.687 -2.862 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.260 13.924 -4.813 1.00 1.13 C ATOM 0 H THR A 62 -3.994 12.443 -2.955 1.00 0.57 H new ATOM 0 HA THR A 62 -3.366 13.037 -5.695 1.00 0.64 H new ATOM 0 HB THR A 62 -1.152 11.803 -4.574 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.222 11.832 -2.510 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.283 14.109 -4.367 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.159 13.866 -5.897 1.00 1.13 H new ATOM 0 HG23 THR A 62 -1.937 14.738 -4.555 1.00 1.13 H new ATOM 833 N LEU A 63 -4.175 10.097 -5.051 1.00 0.44 N ATOM 834 CA LEU A 63 -4.322 8.737 -5.555 1.00 0.40 C ATOM 835 C LEU A 63 -5.094 8.767 -6.863 1.00 0.48 C ATOM 836 O LEU A 63 -5.069 7.820 -7.644 1.00 0.68 O ATOM 837 CB LEU A 63 -5.094 7.861 -4.561 1.00 0.34 C ATOM 838 CG LEU A 63 -4.282 7.235 -3.425 1.00 0.27 C ATOM 839 CD1 LEU A 63 -5.023 6.043 -2.857 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.894 6.805 -3.877 1.00 0.27 C ATOM 0 H LEU A 63 -4.871 10.363 -4.354 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.326 8.320 -5.700 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.888 8.464 -4.120 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.576 7.058 -5.118 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.157 7.999 -2.657 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.439 5.603 -2.049 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.990 6.366 -2.471 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -5.174 5.301 -3.641 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.357 6.367 -3.036 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.983 6.067 -4.674 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.346 7.672 -4.245 1.00 0.27 H new ATOM 852 N GLY A 64 -5.790 9.863 -7.080 1.00 0.63 N ATOM 853 CA GLY A 64 -6.580 10.009 -8.275 1.00 0.76 C ATOM 854 C GLY A 64 -8.042 10.187 -7.940 1.00 0.91 C ATOM 855 O GLY A 64 -8.454 11.268 -7.522 1.00 1.61 O ATOM 0 H GLY A 64 -5.822 10.661 -6.445 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.227 10.868 -8.846 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.453 9.131 -8.909 1.00 0.76 H new ATOM 859 N THR A 65 -8.822 9.126 -8.098 1.00 1.22 N ATOM 860 CA THR A 65 -10.243 9.180 -7.793 1.00 1.52 C ATOM 861 C THR A 65 -10.729 7.870 -7.188 1.00 1.28 C ATOM 862 O THR A 65 -10.878 6.876 -7.891 1.00 1.56 O ATOM 863 CB THR A 65 -11.073 9.489 -9.055 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.411 8.968 -10.220 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.281 10.987 -9.207 1.00 2.55 C ATOM 0 H THR A 65 -8.495 8.220 -8.435 1.00 1.22 H new ATOM 0 HA THR A 65 -10.380 9.982 -7.067 1.00 1.52 H new ATOM 0 HB THR A 65 -12.047 9.011 -8.951 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.946 9.167 -11.017 1.00 2.14 H new ATOM 0 HG21 THR A 65 -11.869 11.184 -10.104 1.00 2.55 H new ATOM 0 HG22 THR A 65 -11.810 11.371 -8.335 1.00 2.55 H new ATOM 0 HG23 THR A 65 -10.314 11.482 -9.292 1.00 2.55 H new ATOM 873 N VAL A 66 -10.993 7.874 -5.889 1.00 0.89 N ATOM 874 CA VAL A 66 -11.490 6.678 -5.231 1.00 0.69 C ATOM 875 C VAL A 66 -12.948 6.879 -4.830 1.00 0.68 C ATOM 876 O VAL A 66 -13.282 7.824 -4.112 1.00 0.72 O ATOM 877 CB VAL A 66 -10.649 6.274 -3.991 1.00 0.50 C ATOM 878 CG1 VAL A 66 -9.276 5.784 -4.414 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.523 7.423 -2.995 1.00 0.58 C ATOM 0 H VAL A 66 -10.873 8.682 -5.278 1.00 0.89 H new ATOM 0 HA VAL A 66 -11.406 5.861 -5.947 1.00 0.69 H new ATOM 0 HB VAL A 66 -11.174 5.460 -3.490 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.701 5.505 -3.531 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.384 4.917 -5.065 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.756 6.578 -4.950 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.927 7.101 -2.141 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -10.037 8.271 -3.477 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.515 7.720 -2.654 1.00 0.58 H new ATOM 889 N GLU A 67 -13.817 5.999 -5.318 1.00 0.72 N ATOM 890 CA GLU A 67 -15.242 6.081 -5.032 1.00 0.79 C ATOM 891 C GLU A 67 -15.518 5.781 -3.566 1.00 0.63 C ATOM 892 O GLU A 67 -14.640 5.301 -2.841 1.00 0.49 O ATOM 893 CB GLU A 67 -16.011 5.106 -5.917 1.00 0.94 C ATOM 894 CG GLU A 67 -16.515 5.722 -7.212 1.00 1.19 C ATOM 895 CD GLU A 67 -15.467 5.733 -8.308 1.00 1.70 C ATOM 896 OE1 GLU A 67 -14.572 4.864 -8.290 1.00 2.42 O ATOM 897 OE2 GLU A 67 -15.527 6.618 -9.188 1.00 2.16 O ATOM 0 H GLU A 67 -13.555 5.216 -5.917 1.00 0.72 H new ATOM 0 HA GLU A 67 -15.576 7.097 -5.244 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -15.367 4.259 -6.155 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -16.860 4.713 -5.357 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -17.388 5.167 -7.557 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -16.842 6.744 -7.019 1.00 1.19 H new ATOM 904 N ASP A 68 -16.741 6.063 -3.141 1.00 0.71 N ATOM 905 CA ASP A 68 -17.155 5.830 -1.759 1.00 0.67 C ATOM 906 C ASP A 68 -16.902 4.382 -1.346 1.00 0.54 C ATOM 907 O ASP A 68 -16.488 4.116 -0.219 1.00 0.55 O ATOM 908 CB ASP A 68 -18.642 6.173 -1.579 1.00 0.85 C ATOM 909 CG ASP A 68 -19.233 5.600 -0.300 1.00 1.26 C ATOM 910 OD1 ASP A 68 -19.097 6.250 0.758 1.00 1.72 O ATOM 911 OD2 ASP A 68 -19.818 4.494 -0.346 1.00 1.61 O ATOM 0 H ASP A 68 -17.471 6.456 -3.736 1.00 0.71 H new ATOM 0 HA ASP A 68 -16.559 6.480 -1.118 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.761 7.256 -1.574 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -19.203 5.794 -2.433 1.00 0.85 H new ATOM 916 N LYS A 69 -17.137 3.443 -2.267 1.00 0.55 N ATOM 917 CA LYS A 69 -16.926 2.022 -1.991 1.00 0.58 C ATOM 918 C LYS A 69 -15.451 1.731 -1.710 1.00 0.51 C ATOM 919 O LYS A 69 -15.118 0.794 -0.979 1.00 0.60 O ATOM 920 CB LYS A 69 -17.427 1.165 -3.161 1.00 0.71 C ATOM 921 CG LYS A 69 -16.697 1.410 -4.471 1.00 0.82 C ATOM 922 CD LYS A 69 -17.524 0.949 -5.656 1.00 1.15 C ATOM 923 CE LYS A 69 -17.167 1.721 -6.918 1.00 1.53 C ATOM 924 NZ LYS A 69 -16.469 0.872 -7.917 1.00 1.97 N ATOM 0 H LYS A 69 -17.473 3.643 -3.209 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.499 1.764 -1.100 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.328 0.113 -2.894 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.490 1.358 -3.309 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -16.473 2.472 -4.572 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -15.743 0.882 -4.463 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -17.362 -0.116 -5.822 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -18.583 1.080 -5.435 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -18.075 2.129 -7.362 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -16.532 2.568 -6.657 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -16.530 1.318 -8.855 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -15.470 0.768 -7.647 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -16.918 -0.066 -7.950 1.00 1.97 H new ATOM 938 N TYR A 70 -14.570 2.550 -2.282 1.00 0.43 N ATOM 939 CA TYR A 70 -13.137 2.388 -2.080 1.00 0.39 C ATOM 940 C TYR A 70 -12.720 3.010 -0.761 1.00 0.33 C ATOM 941 O TYR A 70 -11.879 2.472 -0.051 1.00 0.34 O ATOM 942 CB TYR A 70 -12.346 3.040 -3.214 1.00 0.47 C ATOM 943 CG TYR A 70 -12.407 2.281 -4.521 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.548 1.217 -4.762 1.00 1.05 C ATOM 945 CD2 TYR A 70 -13.326 2.618 -5.509 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.599 0.511 -5.948 1.00 1.16 C ATOM 947 CE2 TYR A 70 -13.384 1.911 -6.701 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.525 0.910 -6.942 1.00 0.94 C ATOM 949 OH TYR A 70 -12.568 0.143 -8.088 1.00 1.11 O ATOM 0 H TYR A 70 -14.826 3.330 -2.887 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.921 1.320 -2.068 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.725 4.050 -3.374 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.304 3.135 -2.909 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -10.827 0.936 -4.008 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -14.004 3.442 -5.346 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -10.944 -0.331 -6.114 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -14.127 2.169 -7.441 1.00 1.29 H new ATOM 0 HH TYR A 70 -13.240 0.508 -8.701 1.00 1.11 H new ATOM 959 N ARG A 71 -13.336 4.138 -0.428 1.00 0.37 N ATOM 960 CA ARG A 71 -13.047 4.827 0.823 1.00 0.46 C ATOM 961 C ARG A 71 -13.573 4.010 1.997 1.00 0.52 C ATOM 962 O ARG A 71 -12.979 3.986 3.077 1.00 0.59 O ATOM 963 CB ARG A 71 -13.676 6.224 0.831 1.00 0.60 C ATOM 964 CG ARG A 71 -13.055 7.177 -0.175 1.00 0.81 C ATOM 965 CD ARG A 71 -12.865 8.559 0.425 1.00 0.97 C ATOM 966 NE ARG A 71 -12.599 9.569 -0.596 1.00 1.39 N ATOM 967 CZ ARG A 71 -13.460 10.521 -0.944 1.00 1.96 C ATOM 968 NH1 ARG A 71 -14.639 10.604 -0.348 1.00 2.55 N ATOM 969 NH2 ARG A 71 -13.134 11.392 -1.891 1.00 2.53 N ATOM 0 H ARG A 71 -14.040 4.595 -1.008 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.967 4.937 0.917 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.742 6.134 0.623 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.581 6.650 1.830 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.093 6.785 -0.505 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -13.692 7.245 -1.057 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -13.758 8.837 0.985 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -12.038 8.535 1.135 1.00 0.97 H new ATOM 0 HE ARG A 71 -11.697 9.543 -1.072 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -14.890 9.936 0.381 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -15.296 11.336 -0.618 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -12.225 11.330 -2.350 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -13.792 12.123 -2.160 1.00 2.53 H new ATOM 983 N ARG A 72 -14.699 3.349 1.772 1.00 0.57 N ATOM 984 CA ARG A 72 -15.338 2.536 2.782 1.00 0.72 C ATOM 985 C ARG A 72 -14.459 1.345 3.193 1.00 0.68 C ATOM 986 O ARG A 72 -14.455 0.945 4.350 1.00 0.82 O ATOM 987 CB ARG A 72 -16.693 2.068 2.271 1.00 0.87 C ATOM 988 CG ARG A 72 -17.068 0.699 2.771 1.00 1.22 C ATOM 989 CD ARG A 72 -17.645 -0.156 1.664 1.00 1.78 C ATOM 990 NE ARG A 72 -18.034 -1.473 2.148 1.00 2.63 N ATOM 991 CZ ARG A 72 -17.449 -2.612 1.782 1.00 3.47 C ATOM 992 NH1 ARG A 72 -16.475 -2.599 0.879 1.00 3.77 N ATOM 993 NH2 ARG A 72 -17.841 -3.762 2.306 1.00 4.38 N ATOM 0 H ARG A 72 -15.192 3.365 0.879 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.482 3.143 3.676 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -17.457 2.783 2.577 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.681 2.060 1.181 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -16.188 0.210 3.189 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.795 0.792 3.578 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -18.512 0.344 1.232 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -16.910 -0.264 0.867 1.00 1.78 H new ATOM 0 HE ARG A 72 -18.806 -1.527 2.812 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -16.175 -1.716 0.465 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -16.027 -3.472 0.599 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -18.594 -3.779 2.993 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -17.390 -4.632 2.022 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.700 0.786 2.255 1.00 0.63 N ATOM 1008 CA ARG A 73 -12.829 -0.342 2.575 1.00 0.70 C ATOM 1009 C ARG A 73 -11.392 0.146 2.789 1.00 0.53 C ATOM 1010 O ARG A 73 -10.502 -0.613 3.167 1.00 0.59 O ATOM 1011 CB ARG A 73 -12.916 -1.427 1.483 1.00 0.88 C ATOM 1012 CG ARG A 73 -11.729 -1.480 0.535 1.00 0.59 C ATOM 1013 CD ARG A 73 -11.950 -0.573 -0.659 1.00 0.71 C ATOM 1014 NE ARG A 73 -13.029 -1.040 -1.523 1.00 1.08 N ATOM 1015 CZ ARG A 73 -12.838 -1.736 -2.644 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -11.601 -1.980 -3.077 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -13.881 -2.145 -3.349 1.00 1.44 N ATOM 0 H ARG A 73 -13.669 1.089 1.282 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.166 -0.799 3.506 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.021 -2.399 1.965 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -13.821 -1.262 0.899 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -10.824 -1.180 1.062 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.575 -2.504 0.195 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -12.179 0.434 -0.309 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.028 -0.508 -1.237 1.00 0.71 H new ATOM 0 HE ARG A 73 -13.988 -0.821 -1.253 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -10.799 -1.634 -2.550 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -11.457 -2.513 -3.935 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -14.826 -1.927 -3.034 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -13.739 -2.678 -4.207 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.192 1.436 2.567 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.884 2.056 2.746 1.00 0.26 C ATOM 1033 C PHE A 74 -9.500 2.082 4.216 1.00 0.22 C ATOM 1034 O PHE A 74 -8.331 1.951 4.564 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.883 3.477 2.184 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.923 3.666 1.045 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.718 2.995 1.031 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.229 4.515 -0.014 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.829 3.157 -0.012 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.339 4.681 -1.060 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.138 3.999 -1.058 1.00 0.30 C ATOM 0 H PHE A 74 -11.922 2.079 2.261 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.150 1.461 2.202 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.889 3.727 1.847 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.631 4.175 2.982 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.467 2.334 1.847 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.168 5.048 -0.019 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.890 2.623 -0.008 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.583 5.343 -1.877 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.443 4.125 -1.875 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.496 2.264 5.073 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.274 2.312 6.516 1.00 0.30 C ATOM 1053 C LYS A 75 -9.646 1.012 7.026 1.00 0.28 C ATOM 1054 O LYS A 75 -8.944 1.004 8.043 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.592 2.575 7.243 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.737 1.683 6.791 1.00 0.37 C ATOM 1057 CD LYS A 75 -14.085 2.317 7.099 1.00 0.82 C ATOM 1058 CE LYS A 75 -15.179 1.274 7.300 1.00 1.28 C ATOM 1059 NZ LYS A 75 -15.674 1.246 8.703 1.00 1.72 N ATOM 0 H LYS A 75 -11.470 2.381 4.794 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.580 3.127 6.722 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.438 2.437 8.313 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.876 3.617 7.093 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.656 1.498 5.720 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.665 0.716 7.288 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.000 2.930 7.997 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.366 2.984 6.284 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -16.010 1.486 6.627 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -14.795 0.290 7.032 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -16.416 0.523 8.795 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -14.888 1.018 9.344 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -16.065 2.177 8.952 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.884 -0.086 6.306 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.334 -1.393 6.665 1.00 0.22 C ATOM 1075 C TYR A 76 -7.858 -1.469 6.280 1.00 0.20 C ATOM 1076 O TYR A 76 -7.157 -2.422 6.619 1.00 0.23 O ATOM 1077 CB TYR A 76 -10.129 -2.512 5.973 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.585 -2.568 6.393 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.938 -2.549 7.739 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.601 -2.645 5.450 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.260 -2.602 8.130 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.928 -2.699 5.835 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.251 -2.677 7.176 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.572 -2.732 7.558 1.00 0.99 O ATOM 0 H TYR A 76 -10.459 -0.094 5.464 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.417 -1.525 7.744 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -10.076 -2.371 4.894 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.659 -3.470 6.193 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.164 -2.492 8.490 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.351 -2.663 4.399 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -13.517 -2.585 9.179 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.707 -2.758 5.090 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.141 -2.781 6.762 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.403 -0.443 5.568 1.00 0.18 N ATOM 1095 CA PHE A 77 -6.014 -0.357 5.134 1.00 0.21 C ATOM 1096 C PHE A 77 -5.285 0.774 5.851 1.00 0.24 C ATOM 1097 O PHE A 77 -4.055 0.815 5.857 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.963 -0.057 3.638 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.738 -1.250 2.754 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.897 -2.289 3.129 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.369 -1.317 1.528 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.694 -3.370 2.287 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.165 -2.387 0.688 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.331 -3.415 1.063 1.00 0.24 C ATOM 0 H PHE A 77 -7.981 0.346 5.278 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.536 -1.309 5.364 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.899 0.419 3.347 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -5.168 0.666 3.455 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.397 -2.254 4.086 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.031 -0.519 1.225 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -4.040 -4.175 2.587 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.662 -2.420 -0.270 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.175 -4.255 0.402 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.048 1.705 6.421 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.489 2.881 7.097 1.00 0.34 C ATOM 1116 C LYS A 78 -4.534 2.527 8.236 1.00 0.37 C ATOM 1117 O LYS A 78 -3.585 3.268 8.497 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.621 3.761 7.639 1.00 0.43 C ATOM 1119 CG LYS A 78 -7.254 4.657 6.581 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.526 6.049 7.125 1.00 0.82 C ATOM 1121 CE LYS A 78 -7.701 7.070 6.009 1.00 0.98 C ATOM 1122 NZ LYS A 78 -9.064 7.667 6.006 1.00 1.37 N ATOM 0 H LYS A 78 -7.067 1.669 6.429 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.909 3.420 6.348 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.391 3.123 8.071 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.233 4.383 8.445 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.593 4.725 5.717 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -8.187 4.211 6.235 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -8.424 6.028 7.742 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -6.702 6.354 7.770 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -6.959 7.861 6.122 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -7.513 6.592 5.048 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -9.020 8.631 5.619 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -9.696 7.087 5.418 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -9.430 7.701 6.979 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.779 1.418 8.910 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.923 1.015 10.023 1.00 0.46 C ATOM 1138 C ALA A 79 -2.566 0.518 9.538 1.00 0.41 C ATOM 1139 O ALA A 79 -1.557 0.668 10.229 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.608 -0.042 10.872 1.00 0.56 C ATOM 0 H ALA A 79 -5.553 0.783 8.713 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.749 1.897 10.639 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.953 -0.328 11.695 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.539 0.360 11.272 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.824 -0.917 10.259 1.00 0.56 H new ATOM 1146 N THR A 80 -2.556 -0.072 8.354 1.00 0.31 N ATOM 1147 CA THR A 80 -1.329 -0.591 7.769 1.00 0.30 C ATOM 1148 C THR A 80 -0.629 0.468 6.908 1.00 0.24 C ATOM 1149 O THR A 80 0.591 0.582 6.949 1.00 0.27 O ATOM 1150 CB THR A 80 -1.600 -1.857 6.931 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.548 -2.697 7.611 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.310 -2.630 6.681 1.00 0.46 C ATOM 0 H THR A 80 -3.387 -0.204 7.777 1.00 0.31 H new ATOM 0 HA THR A 80 -0.668 -0.857 8.594 1.00 0.30 H new ATOM 0 HB THR A 80 -2.009 -1.551 5.968 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.378 -3.634 7.382 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.527 -3.518 6.088 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.395 -1.997 6.142 1.00 0.46 H new ATOM 0 HG23 THR A 80 0.126 -2.928 7.634 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.397 1.251 6.144 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.822 2.297 5.295 1.00 0.24 C ATOM 1162 C ILE A 81 -0.043 3.305 6.145 1.00 0.28 C ATOM 1163 O ILE A 81 1.068 3.707 5.788 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.918 3.032 4.478 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.582 2.078 3.481 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.348 4.234 3.738 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.621 2.741 2.594 1.00 0.55 C ATOM 0 H ILE A 81 -2.413 1.180 6.096 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.141 1.815 4.593 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.667 3.387 5.185 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -1.812 1.632 2.851 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -3.054 1.264 4.031 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.142 4.726 3.176 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.924 4.936 4.456 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.569 3.903 3.051 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.046 2.001 1.916 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.413 3.162 3.213 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.151 3.536 2.015 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.627 3.696 7.278 1.00 0.31 N ATOM 1180 CA ALA A 82 0.010 4.645 8.189 1.00 0.39 C ATOM 1181 C ALA A 82 1.271 4.059 8.812 1.00 0.41 C ATOM 1182 O ALA A 82 2.245 4.771 9.060 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.964 5.059 9.280 1.00 0.46 C ATOM 0 H ALA A 82 -1.542 3.369 7.587 1.00 0.31 H new ATOM 0 HA ALA A 82 0.297 5.522 7.609 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.478 5.766 9.952 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.838 5.529 8.829 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.276 4.179 9.842 1.00 0.46 H new ATOM 1189 N ASP A 83 1.255 2.758 9.058 1.00 0.37 N ATOM 1190 CA ASP A 83 2.403 2.081 9.644 1.00 0.42 C ATOM 1191 C ASP A 83 3.544 2.007 8.644 1.00 0.39 C ATOM 1192 O ASP A 83 4.703 2.201 9.001 1.00 0.46 O ATOM 1193 CB ASP A 83 2.019 0.673 10.100 1.00 0.47 C ATOM 1194 CG ASP A 83 2.773 0.238 11.342 1.00 0.80 C ATOM 1195 OD1 ASP A 83 2.962 1.074 12.250 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.189 -0.941 11.418 1.00 1.40 O ATOM 0 H ASP A 83 0.460 2.150 8.861 1.00 0.37 H new ATOM 0 HA ASP A 83 2.731 2.655 10.511 1.00 0.42 H new ATOM 0 HB2 ASP A 83 0.948 0.639 10.299 1.00 0.47 H new ATOM 0 HB3 ASP A 83 2.216 -0.033 9.293 1.00 0.47 H new ATOM 1201 N LEU A 84 3.207 1.731 7.392 1.00 0.32 N ATOM 1202 CA LEU A 84 4.211 1.618 6.340 1.00 0.31 C ATOM 1203 C LEU A 84 4.834 2.964 5.984 1.00 0.35 C ATOM 1204 O LEU A 84 5.996 3.025 5.599 1.00 0.42 O ATOM 1205 CB LEU A 84 3.597 0.997 5.089 1.00 0.29 C ATOM 1206 CG LEU A 84 3.045 -0.419 5.265 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.951 -0.693 4.245 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.164 -1.446 5.149 1.00 0.48 C ATOM 0 H LEU A 84 2.248 1.581 7.079 1.00 0.32 H new ATOM 0 HA LEU A 84 5.003 0.976 6.726 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.791 1.643 4.741 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.353 0.980 4.304 1.00 0.29 H new ATOM 0 HG LEU A 84 2.610 -0.501 6.261 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.569 -1.704 4.384 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.140 0.023 4.380 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.359 -0.594 3.239 1.00 0.40 H new ATOM 0 HD21 LEU A 84 3.753 -2.448 5.277 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.630 -1.367 4.167 1.00 0.48 H new ATOM 0 HD23 LEU A 84 4.911 -1.259 5.921 1.00 0.48 H new ATOM 1220 N SER A 85 4.063 4.045 6.106 1.00 0.37 N ATOM 1221 CA SER A 85 4.564 5.370 5.771 1.00 0.50 C ATOM 1222 C SER A 85 5.545 5.872 6.819 1.00 0.61 C ATOM 1223 O SER A 85 6.524 6.546 6.495 1.00 0.73 O ATOM 1224 CB SER A 85 3.409 6.349 5.634 1.00 0.57 C ATOM 1225 OG SER A 85 2.292 5.926 6.396 1.00 1.37 O ATOM 0 H SER A 85 3.097 4.026 6.432 1.00 0.37 H new ATOM 0 HA SER A 85 5.091 5.297 4.819 1.00 0.50 H new ATOM 0 HB2 SER A 85 3.725 7.339 5.964 1.00 0.57 H new ATOM 0 HB3 SER A 85 3.126 6.438 4.585 1.00 0.57 H new ATOM 0 HG SER A 85 1.765 5.285 5.875 1.00 1.37 H new ATOM 1231 N LYS A 86 5.295 5.525 8.071 1.00 0.60 N ATOM 1232 CA LYS A 86 6.174 5.937 9.152 1.00 0.74 C ATOM 1233 C LYS A 86 7.488 5.172 9.077 1.00 0.78 C ATOM 1234 O LYS A 86 8.557 5.729 9.319 1.00 0.98 O ATOM 1235 CB LYS A 86 5.498 5.717 10.508 1.00 0.75 C ATOM 1236 CG LYS A 86 4.487 6.795 10.859 1.00 1.29 C ATOM 1237 CD LYS A 86 3.596 6.356 12.004 1.00 1.79 C ATOM 1238 CE LYS A 86 2.165 6.821 11.800 1.00 2.34 C ATOM 1239 NZ LYS A 86 1.467 7.066 13.090 1.00 3.07 N ATOM 0 H LYS A 86 4.496 4.962 8.362 1.00 0.60 H new ATOM 0 HA LYS A 86 6.384 7.001 9.046 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.999 4.748 10.504 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.262 5.679 11.285 1.00 0.75 H new ATOM 0 HG2 LYS A 86 5.009 7.712 11.131 1.00 1.29 H new ATOM 0 HG3 LYS A 86 3.876 7.023 9.986 1.00 1.29 H new ATOM 0 HD2 LYS A 86 3.619 5.270 12.089 1.00 1.79 H new ATOM 0 HD3 LYS A 86 3.981 6.757 12.941 1.00 1.79 H new ATOM 0 HE2 LYS A 86 2.163 7.736 11.208 1.00 2.34 H new ATOM 0 HE3 LYS A 86 1.618 6.070 11.229 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 0.494 7.382 12.904 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 1.446 6.187 13.646 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 1.973 7.801 13.624 1.00 3.07 H new ATOM 1253 N LYS A 87 7.401 3.898 8.723 1.00 0.75 N ATOM 1254 CA LYS A 87 8.580 3.050 8.601 1.00 0.86 C ATOM 1255 C LYS A 87 9.379 3.412 7.348 1.00 0.93 C ATOM 1256 O LYS A 87 10.594 3.215 7.295 1.00 1.11 O ATOM 1257 CB LYS A 87 8.172 1.578 8.557 1.00 0.91 C ATOM 1258 CG LYS A 87 7.437 1.100 9.802 1.00 1.01 C ATOM 1259 CD LYS A 87 8.370 0.372 10.753 1.00 1.35 C ATOM 1260 CE LYS A 87 8.537 1.133 12.055 1.00 2.18 C ATOM 1261 NZ LYS A 87 9.951 1.538 12.287 1.00 2.78 N ATOM 0 H LYS A 87 6.521 3.426 8.514 1.00 0.75 H new ATOM 0 HA LYS A 87 9.212 3.215 9.474 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.536 1.414 7.687 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.065 0.968 8.419 1.00 0.91 H new ATOM 0 HG2 LYS A 87 6.989 1.953 10.312 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.621 0.438 9.513 1.00 1.01 H new ATOM 0 HD2 LYS A 87 7.977 -0.624 10.959 1.00 1.35 H new ATOM 0 HD3 LYS A 87 9.343 0.239 10.280 1.00 1.35 H new ATOM 0 HE2 LYS A 87 7.904 2.020 12.040 1.00 2.18 H new ATOM 0 HE3 LYS A 87 8.197 0.512 12.884 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 10.021 2.055 13.187 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 10.553 0.691 12.327 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 10.268 2.152 11.510 1.00 2.78 H new