USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 611 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 64 LYS NZ :NH3+ 144:sc= 0.495 (180deg=-0.2) USER MOD Set 1.2: A 65 ASN : amide:sc= 1.3 K(o=1.8,f=-4.9) USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.197 K(o=0.33,f=-1.6) USER MOD Set 2.2: A 67 TYR OH : rot 23:sc= 0.135 USER MOD Single : A 21 TYR OH : rot -141:sc= 0.928 USER MOD Single : A 22 GLN : amide:sc= 1.02 K(o=1,f=-5.1!) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.397 F(o=-1.2,f=-0.4) USER MOD Single : A 30 GLN : amide:sc= 0.975 K(o=0.98,f=-5.1!) USER MOD Single : A 33 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.039) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.3 K(o=-0.3,f=-4.5!) USER MOD Single : A 38 GLN : amide:sc= 0.0623 X(o=0.062,f=-0.095) USER MOD Single : A 40 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.3) USER MOD Single : A 43 SER OG : rot -150:sc= -1.08 USER MOD Single : A 44 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.9!) USER MOD Single : A 47 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.09) USER MOD Single : A 56 MET CE :methyl 152:sc= -0.596 (180deg=-2.8!) USER MOD Single : A 60 HIS : no HE2:sc= 0.0527 K(o=0.053,f=-1.9) USER MOD Single : A 70 THR OG1 : rot 110:sc= 1.3 USER MOD Single : A 75 TYR OH : rot 15:sc= -1.23 USER MOD Single : A 79 THR OG1 : rot 144:sc= 0.694 USER MOD Single : A 84 ASN : amide:sc= -1.48! C(o=-1.5!,f=-2.7!) USER MOD Single : A 85 GLN : amide:sc= -0.595 X(o=-0.59,f=-0.75) USER MOD Single : A 87 MET CE :methyl -111:sc= -3.57! (180deg=-5.92!) USER MOD Single : A 89 SER OG : rot -28:sc= 0.266 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -4.317 -5.635 -1.119 1.00 53.03 N ATOM 52 CA HIS A 17 -4.636 -6.500 0.034 1.00 11.32 C ATOM 53 C HIS A 17 -3.650 -7.576 0.279 1.00 21.35 C ATOM 54 O HIS A 17 -3.552 -8.112 1.366 1.00 62.55 O ATOM 55 CB HIS A 17 -6.053 -7.042 -0.089 1.00 55.20 C ATOM 56 CG HIS A 17 -7.101 -6.013 0.177 1.00 32.13 C ATOM 57 ND1 HIS A 17 -7.527 -5.689 1.437 1.00 3.41 N ATOM 58 CD2 HIS A 17 -7.802 -5.224 -0.672 1.00 41.44 C ATOM 59 CE1 HIS A 17 -8.456 -4.740 1.331 1.00 53.12 C ATOM 60 NE2 HIS A 17 -8.662 -4.418 0.064 1.00 74.51 N ATOM 0 HA HIS A 17 -4.574 -5.868 0.920 1.00 11.32 H new ATOM 0 HB2 HIS A 17 -6.195 -7.445 -1.092 1.00 55.20 H new ATOM 0 HB3 HIS A 17 -6.180 -7.870 0.609 1.00 55.20 H new ATOM 0 HD1 HIS A 17 -7.191 -6.103 2.307 1.00 3.41 H new ATOM 0 HD2 HIS A 17 -7.708 -5.222 -1.748 1.00 41.44 H new ATOM 0 HE1 HIS A 17 -8.972 -4.293 2.168 1.00 53.12 H new ATOM 68 N ALA A 18 -2.920 -7.887 -0.688 1.00 50.11 N ATOM 69 CA ALA A 18 -1.968 -8.898 -0.551 1.00 1.51 C ATOM 70 C ALA A 18 -0.786 -8.390 0.295 1.00 15.13 C ATOM 71 O ALA A 18 -0.002 -9.154 0.765 1.00 4.21 O ATOM 72 CB ALA A 18 -1.628 -9.467 -1.890 1.00 14.51 C ATOM 0 H ALA A 18 -2.958 -7.450 -1.609 1.00 50.11 H new ATOM 0 HA ALA A 18 -2.362 -9.746 0.009 1.00 1.51 H new ATOM 0 HB1 ALA A 18 -0.884 -10.255 -1.772 1.00 14.51 H new ATOM 0 HB2 ALA A 18 -2.526 -9.881 -2.348 1.00 14.51 H new ATOM 0 HB3 ALA A 18 -1.225 -8.680 -2.528 1.00 14.51 H new ATOM 78 N ALA A 19 -0.688 -7.066 0.467 1.00 54.30 N ATOM 79 CA ALA A 19 0.314 -6.435 1.335 1.00 62.21 C ATOM 80 C ALA A 19 0.310 -7.022 2.764 1.00 73.52 C ATOM 81 O ALA A 19 1.374 -7.101 3.405 1.00 75.24 O ATOM 82 CB ALA A 19 0.109 -4.929 1.387 1.00 75.45 C ATOM 0 H ALA A 19 -1.305 -6.398 0.005 1.00 54.30 H new ATOM 0 HA ALA A 19 1.289 -6.650 0.897 1.00 62.21 H new ATOM 0 HB1 ALA A 19 0.862 -4.481 2.036 1.00 75.45 H new ATOM 0 HB2 ALA A 19 0.202 -4.514 0.383 1.00 75.45 H new ATOM 0 HB3 ALA A 19 -0.884 -4.710 1.779 1.00 75.45 H new ATOM 88 N ASP A 20 -0.872 -7.450 3.264 1.00 2.10 N ATOM 89 CA ASP A 20 -0.959 -8.116 4.590 1.00 33.35 C ATOM 90 C ASP A 20 -0.096 -9.368 4.583 1.00 12.25 C ATOM 91 O ASP A 20 0.535 -9.718 5.592 1.00 43.04 O ATOM 92 CB ASP A 20 -2.404 -8.535 4.975 1.00 73.40 C ATOM 93 CG ASP A 20 -3.347 -7.420 5.354 1.00 73.55 C ATOM 94 OD1 ASP A 20 -4.003 -6.872 4.447 1.00 1.00 O ATOM 95 OD2 ASP A 20 -3.487 -7.134 6.571 1.00 71.34 O ATOM 0 H ASP A 20 -1.765 -7.350 2.782 1.00 2.10 H new ATOM 0 HA ASP A 20 -0.615 -7.387 5.323 1.00 33.35 H new ATOM 0 HB2 ASP A 20 -2.837 -9.078 4.135 1.00 73.40 H new ATOM 0 HB3 ASP A 20 -2.346 -9.233 5.811 1.00 73.40 H new ATOM 100 N TYR A 21 -0.014 -10.010 3.410 1.00 22.13 N ATOM 101 CA TYR A 21 0.770 -11.264 3.237 1.00 44.30 C ATOM 102 C TYR A 21 2.234 -11.057 3.577 1.00 44.02 C ATOM 103 O TYR A 21 2.910 -11.982 4.027 1.00 75.44 O ATOM 104 CB TYR A 21 0.596 -11.870 1.813 1.00 4.30 C ATOM 105 CG TYR A 21 1.856 -11.983 0.923 1.00 42.43 C ATOM 106 CD1 TYR A 21 2.275 -10.918 0.130 1.00 40.22 C ATOM 107 CD2 TYR A 21 2.572 -13.172 0.834 1.00 2.02 C ATOM 108 CE1 TYR A 21 3.361 -11.032 -0.706 1.00 74.24 C ATOM 109 CE2 TYR A 21 3.647 -13.299 -0.005 1.00 61.13 C ATOM 110 CZ TYR A 21 4.043 -12.220 -0.778 1.00 24.20 C ATOM 111 OH TYR A 21 5.114 -12.336 -1.638 1.00 3.04 O ATOM 0 H TYR A 21 -0.478 -9.690 2.560 1.00 22.13 H new ATOM 0 HA TYR A 21 0.368 -11.990 3.944 1.00 44.30 H new ATOM 0 HB2 TYR A 21 0.172 -12.868 1.922 1.00 4.30 H new ATOM 0 HB3 TYR A 21 -0.139 -11.268 1.279 1.00 4.30 H new ATOM 0 HD1 TYR A 21 1.736 -9.983 0.172 1.00 40.22 H new ATOM 0 HD2 TYR A 21 2.273 -14.014 1.440 1.00 2.02 H new ATOM 0 HE1 TYR A 21 3.676 -10.189 -1.304 1.00 74.24 H new ATOM 0 HE2 TYR A 21 4.183 -14.235 -0.064 1.00 61.13 H new ATOM 0 HH TYR A 21 5.107 -13.224 -2.052 1.00 3.04 H new ATOM 121 N GLN A 22 2.706 -9.835 3.400 1.00 1.34 N ATOM 122 CA GLN A 22 4.072 -9.492 3.708 1.00 15.21 C ATOM 123 C GLN A 22 4.318 -9.700 5.204 1.00 4.14 C ATOM 124 O GLN A 22 5.228 -10.431 5.596 1.00 43.33 O ATOM 125 CB GLN A 22 4.346 -8.044 3.337 1.00 44.42 C ATOM 126 CG GLN A 22 5.767 -7.623 3.585 1.00 51.44 C ATOM 127 CD GLN A 22 6.745 -8.245 2.607 1.00 35.11 C ATOM 128 OE1 GLN A 22 7.267 -9.336 2.817 1.00 43.42 O ATOM 129 NE2 GLN A 22 7.014 -7.545 1.534 1.00 1.22 N ATOM 0 H GLN A 22 2.150 -9.059 3.040 1.00 1.34 H new ATOM 0 HA GLN A 22 4.742 -10.132 3.134 1.00 15.21 H new ATOM 0 HB2 GLN A 22 4.110 -7.896 2.283 1.00 44.42 H new ATOM 0 HB3 GLN A 22 3.679 -7.398 3.907 1.00 44.42 H new ATOM 0 HG2 GLN A 22 5.836 -6.537 3.519 1.00 51.44 H new ATOM 0 HG3 GLN A 22 6.051 -7.899 4.600 1.00 51.44 H new ATOM 0 HE21 GLN A 22 6.564 -6.642 1.388 1.00 1.22 H new ATOM 0 HE22 GLN A 22 7.674 -7.903 0.844 1.00 1.22 H new ATOM 138 N GLN A 23 3.448 -9.103 6.021 1.00 72.33 N ATOM 139 CA GLN A 23 3.543 -9.219 7.474 1.00 0.33 C ATOM 140 C GLN A 23 3.312 -10.642 7.926 1.00 33.24 C ATOM 141 O GLN A 23 3.928 -11.109 8.889 1.00 13.35 O ATOM 142 CB GLN A 23 2.565 -8.285 8.185 1.00 63.43 C ATOM 143 CG GLN A 23 3.080 -6.876 8.401 1.00 34.31 C ATOM 144 CD GLN A 23 4.308 -6.869 9.299 1.00 13.23 C ATOM 145 OE1 GLN A 23 5.472 -6.921 8.711 1.00 62.14 O flip ATOM 146 NE2 GLN A 23 4.190 -6.807 10.520 1.00 60.54 N flip ATOM 0 H GLN A 23 2.667 -8.532 5.697 1.00 72.33 H new ATOM 0 HA GLN A 23 4.556 -8.922 7.746 1.00 0.33 H new ATOM 0 HB2 GLN A 23 1.644 -8.236 7.605 1.00 63.43 H new ATOM 0 HB3 GLN A 23 2.310 -8.717 9.153 1.00 63.43 H new ATOM 0 HG2 GLN A 23 3.327 -6.425 7.440 1.00 34.31 H new ATOM 0 HG3 GLN A 23 2.296 -6.264 8.848 1.00 34.31 H new ATOM 0 HE21 GLN A 23 3.262 -6.768 10.941 1.00 60.54 H new ATOM 0 HE22 GLN A 23 5.020 -6.795 11.113 1.00 60.54 H new ATOM 155 N LEU A 24 2.412 -11.316 7.239 1.00 64.15 N ATOM 156 CA LEU A 24 2.129 -12.712 7.492 1.00 74.21 C ATOM 157 C LEU A 24 3.383 -13.540 7.341 1.00 14.33 C ATOM 158 O LEU A 24 3.792 -14.237 8.264 1.00 41.31 O ATOM 159 CB LEU A 24 1.077 -13.213 6.523 1.00 24.03 C ATOM 160 CG LEU A 24 0.781 -14.695 6.603 1.00 15.32 C ATOM 161 CD1 LEU A 24 0.151 -15.063 7.920 1.00 63.33 C ATOM 162 CD2 LEU A 24 -0.080 -15.125 5.471 1.00 31.42 C ATOM 0 H LEU A 24 1.855 -10.909 6.488 1.00 64.15 H new ATOM 0 HA LEU A 24 1.759 -12.808 8.513 1.00 74.21 H new ATOM 0 HB2 LEU A 24 0.152 -12.664 6.700 1.00 24.03 H new ATOM 0 HB3 LEU A 24 1.399 -12.977 5.509 1.00 24.03 H new ATOM 0 HG LEU A 24 1.732 -15.223 6.532 1.00 15.32 H new ATOM 0 HD11 LEU A 24 -0.047 -16.135 7.942 1.00 63.33 H new ATOM 0 HD12 LEU A 24 0.829 -14.803 8.733 1.00 63.33 H new ATOM 0 HD13 LEU A 24 -0.785 -14.518 8.040 1.00 63.33 H new ATOM 0 HD21 LEU A 24 -0.279 -16.194 5.551 1.00 31.42 H new ATOM 0 HD22 LEU A 24 -1.022 -14.577 5.502 1.00 31.42 H new ATOM 0 HD23 LEU A 24 0.428 -14.920 4.529 1.00 31.42 H new ATOM 174 N ARG A 25 4.001 -13.417 6.190 1.00 3.13 N ATOM 175 CA ARG A 25 5.178 -14.140 5.843 1.00 4.44 C ATOM 176 C ARG A 25 6.298 -13.847 6.821 1.00 34.35 C ATOM 177 O ARG A 25 6.957 -14.762 7.303 1.00 43.25 O ATOM 178 CB ARG A 25 5.558 -13.754 4.434 1.00 70.52 C ATOM 179 CG ARG A 25 6.709 -14.512 3.867 1.00 10.41 C ATOM 180 CD ARG A 25 6.824 -14.242 2.391 1.00 24.52 C ATOM 181 NE ARG A 25 7.165 -12.838 2.117 1.00 51.15 N ATOM 182 CZ ARG A 25 7.332 -12.347 0.892 1.00 52.33 C ATOM 183 NH1 ARG A 25 7.308 -13.147 -0.148 1.00 61.45 N ATOM 184 NH2 ARG A 25 7.541 -11.049 0.717 1.00 63.13 N ATOM 0 H ARG A 25 3.680 -12.788 5.454 1.00 3.13 H new ATOM 0 HA ARG A 25 4.994 -15.213 5.893 1.00 4.44 H new ATOM 0 HB2 ARG A 25 4.693 -13.898 3.787 1.00 70.52 H new ATOM 0 HB3 ARG A 25 5.797 -12.691 4.416 1.00 70.52 H new ATOM 0 HG2 ARG A 25 7.631 -14.222 4.371 1.00 10.41 H new ATOM 0 HG3 ARG A 25 6.573 -15.580 4.041 1.00 10.41 H new ATOM 0 HD2 ARG A 25 7.586 -14.892 1.961 1.00 24.52 H new ATOM 0 HD3 ARG A 25 5.882 -14.489 1.902 1.00 24.52 H new ATOM 0 HE ARG A 25 7.280 -12.206 2.909 1.00 51.15 H new ATOM 0 HH11 ARG A 25 7.161 -14.148 -0.018 1.00 61.45 H new ATOM 0 HH12 ARG A 25 7.436 -12.768 -1.086 1.00 61.45 H new ATOM 0 HH21 ARG A 25 7.574 -10.425 1.523 1.00 63.13 H new ATOM 0 HH22 ARG A 25 7.669 -10.675 -0.223 1.00 63.13 H new ATOM 198 N GLU A 26 6.449 -12.580 7.147 1.00 31.23 N ATOM 199 CA GLU A 26 7.460 -12.109 8.073 1.00 21.23 C ATOM 200 C GLU A 26 7.274 -12.775 9.455 1.00 73.03 C ATOM 201 O GLU A 26 8.242 -13.213 10.087 1.00 21.11 O ATOM 202 CB GLU A 26 7.334 -10.593 8.192 1.00 34.02 C ATOM 203 CG GLU A 26 8.448 -9.906 8.950 1.00 50.42 C ATOM 204 CD GLU A 26 8.154 -8.441 9.148 1.00 2.01 C ATOM 205 OE1 GLU A 26 8.292 -7.671 8.206 1.00 54.53 O ATOM 206 OE2 GLU A 26 7.708 -8.068 10.266 1.00 1.23 O ATOM 0 H GLU A 26 5.863 -11.835 6.770 1.00 31.23 H new ATOM 0 HA GLU A 26 8.452 -12.371 7.705 1.00 21.23 H new ATOM 0 HB2 GLU A 26 7.286 -10.170 7.189 1.00 34.02 H new ATOM 0 HB3 GLU A 26 6.388 -10.362 8.682 1.00 34.02 H new ATOM 0 HG2 GLU A 26 8.581 -10.386 9.919 1.00 50.42 H new ATOM 0 HG3 GLU A 26 9.385 -10.021 8.406 1.00 50.42 H new ATOM 213 N ARG A 27 6.020 -12.899 9.891 1.00 3.41 N ATOM 214 CA ARG A 27 5.714 -13.467 11.165 1.00 12.21 C ATOM 215 C ARG A 27 5.889 -14.974 11.135 1.00 44.25 C ATOM 216 O ARG A 27 6.357 -15.564 12.095 1.00 41.15 O ATOM 217 CB ARG A 27 4.296 -13.141 11.541 1.00 72.41 C ATOM 218 CG ARG A 27 4.145 -12.806 13.006 1.00 52.14 C ATOM 219 CD ARG A 27 4.566 -11.359 13.325 1.00 23.53 C ATOM 220 NE ARG A 27 5.987 -11.088 13.074 1.00 2.10 N ATOM 221 CZ ARG A 27 6.464 -10.071 12.326 1.00 1.34 C ATOM 222 NH1 ARG A 27 5.654 -9.206 11.725 1.00 23.24 N ATOM 223 NH2 ARG A 27 7.753 -9.926 12.180 1.00 62.12 N ATOM 0 H ARG A 27 5.203 -12.603 9.357 1.00 3.41 H new ATOM 0 HA ARG A 27 6.398 -13.046 11.902 1.00 12.21 H new ATOM 0 HB2 ARG A 27 3.950 -12.299 10.942 1.00 72.41 H new ATOM 0 HB3 ARG A 27 3.656 -13.989 11.298 1.00 72.41 H new ATOM 0 HG2 ARG A 27 3.107 -12.953 13.304 1.00 52.14 H new ATOM 0 HG3 ARG A 27 4.748 -13.495 13.597 1.00 52.14 H new ATOM 0 HD2 ARG A 27 3.964 -10.675 12.727 1.00 23.53 H new ATOM 0 HD3 ARG A 27 4.344 -11.148 14.371 1.00 23.53 H new ATOM 0 HE ARG A 27 6.667 -11.718 13.499 1.00 2.10 H new ATOM 0 HH11 ARG A 27 4.643 -9.301 11.823 1.00 23.24 H new ATOM 0 HH12 ARG A 27 6.043 -8.447 11.166 1.00 23.24 H new ATOM 0 HH21 ARG A 27 8.394 -10.579 12.630 1.00 62.12 H new ATOM 0 HH22 ARG A 27 8.119 -9.159 11.616 1.00 62.12 H new ATOM 237 N LEU A 28 5.547 -15.577 10.005 1.00 34.21 N ATOM 238 CA LEU A 28 5.630 -17.022 9.820 1.00 24.54 C ATOM 239 C LEU A 28 7.060 -17.469 9.859 1.00 75.30 C ATOM 240 O LEU A 28 7.395 -18.408 10.553 1.00 74.44 O ATOM 241 CB LEU A 28 4.993 -17.441 8.495 1.00 14.45 C ATOM 242 CG LEU A 28 3.478 -17.337 8.404 1.00 53.34 C ATOM 243 CD1 LEU A 28 3.029 -17.521 6.978 1.00 32.03 C ATOM 244 CD2 LEU A 28 2.831 -18.387 9.267 1.00 52.24 C ATOM 0 H LEU A 28 5.202 -15.077 9.186 1.00 34.21 H new ATOM 0 HA LEU A 28 5.083 -17.498 10.633 1.00 24.54 H new ATOM 0 HB2 LEU A 28 5.425 -16.831 7.702 1.00 14.45 H new ATOM 0 HB3 LEU A 28 5.276 -18.474 8.292 1.00 14.45 H new ATOM 0 HG LEU A 28 3.180 -16.348 8.753 1.00 53.34 H new ATOM 0 HD11 LEU A 28 1.943 -17.444 6.926 1.00 32.03 H new ATOM 0 HD12 LEU A 28 3.478 -16.749 6.353 1.00 32.03 H new ATOM 0 HD13 LEU A 28 3.341 -18.503 6.622 1.00 32.03 H new ATOM 0 HD21 LEU A 28 1.747 -18.302 9.193 1.00 52.24 H new ATOM 0 HD22 LEU A 28 3.141 -19.376 8.930 1.00 52.24 H new ATOM 0 HD23 LEU A 28 3.136 -18.245 10.304 1.00 52.24 H new ATOM 256 N ILE A 29 7.893 -16.771 9.117 1.00 45.12 N ATOM 257 CA ILE A 29 9.325 -17.019 9.075 1.00 25.04 C ATOM 258 C ILE A 29 9.892 -17.084 10.498 1.00 14.10 C ATOM 259 O ILE A 29 10.583 -18.025 10.861 1.00 51.21 O ATOM 260 CB ILE A 29 10.011 -15.890 8.244 1.00 51.42 C ATOM 261 CG1 ILE A 29 9.721 -16.071 6.742 1.00 24.44 C ATOM 262 CG2 ILE A 29 11.492 -15.792 8.517 1.00 71.15 C ATOM 263 CD1 ILE A 29 10.247 -14.954 5.862 1.00 15.42 C ATOM 0 H ILE A 29 7.594 -16.003 8.516 1.00 45.12 H new ATOM 0 HA ILE A 29 9.523 -17.978 8.597 1.00 25.04 H new ATOM 0 HB ILE A 29 9.579 -14.942 8.564 1.00 51.42 H new ATOM 0 HG12 ILE A 29 10.158 -17.013 6.411 1.00 24.44 H new ATOM 0 HG13 ILE A 29 8.643 -16.152 6.600 1.00 24.44 H new ATOM 0 HG21 ILE A 29 11.921 -14.992 7.914 1.00 71.15 H new ATOM 0 HG22 ILE A 29 11.654 -15.577 9.573 1.00 71.15 H new ATOM 0 HG23 ILE A 29 11.972 -16.736 8.261 1.00 71.15 H new ATOM 0 HD11 ILE A 29 9.999 -15.163 4.821 1.00 15.42 H new ATOM 0 HD12 ILE A 29 9.792 -14.010 6.161 1.00 15.42 H new ATOM 0 HD13 ILE A 29 11.329 -14.885 5.970 1.00 15.42 H new ATOM 275 N GLN A 30 9.497 -16.136 11.307 1.00 3.35 N ATOM 276 CA GLN A 30 9.968 -16.053 12.664 1.00 25.41 C ATOM 277 C GLN A 30 9.327 -17.118 13.579 1.00 32.33 C ATOM 278 O GLN A 30 10.018 -17.740 14.371 1.00 33.40 O ATOM 279 CB GLN A 30 9.730 -14.651 13.200 1.00 15.13 C ATOM 280 CG GLN A 30 10.496 -13.571 12.452 1.00 32.51 C ATOM 281 CD GLN A 30 10.215 -12.180 12.978 1.00 12.31 C ATOM 282 OE1 GLN A 30 9.131 -11.893 13.486 1.00 55.33 O ATOM 283 NE2 GLN A 30 11.172 -11.297 12.844 1.00 21.53 N ATOM 0 H GLN A 30 8.841 -15.401 11.044 1.00 3.35 H new ATOM 0 HA GLN A 30 11.038 -16.261 12.661 1.00 25.41 H new ATOM 0 HB2 GLN A 30 8.664 -14.429 13.150 1.00 15.13 H new ATOM 0 HB3 GLN A 30 10.012 -14.621 14.252 1.00 15.13 H new ATOM 0 HG2 GLN A 30 11.565 -13.773 12.526 1.00 32.51 H new ATOM 0 HG3 GLN A 30 10.236 -13.614 11.394 1.00 32.51 H new ATOM 0 HE21 GLN A 30 12.059 -11.567 12.419 1.00 21.53 H new ATOM 0 HE22 GLN A 30 11.031 -10.339 13.165 1.00 21.53 H new ATOM 292 N GLU A 31 8.018 -17.344 13.438 1.00 53.44 N ATOM 293 CA GLU A 31 7.300 -18.297 14.303 1.00 52.44 C ATOM 294 C GLU A 31 7.716 -19.745 14.007 1.00 44.30 C ATOM 295 O GLU A 31 7.820 -20.575 14.905 1.00 21.42 O ATOM 296 CB GLU A 31 5.782 -18.162 14.138 1.00 4.52 C ATOM 297 CG GLU A 31 5.002 -18.948 15.187 1.00 3.23 C ATOM 298 CD GLU A 31 3.522 -18.941 14.963 1.00 4.54 C ATOM 299 OE1 GLU A 31 3.026 -19.806 14.215 1.00 30.22 O ATOM 300 OE2 GLU A 31 2.810 -18.103 15.548 1.00 22.31 O ATOM 0 H GLU A 31 7.433 -16.886 12.739 1.00 53.44 H new ATOM 0 HA GLU A 31 7.569 -18.056 15.331 1.00 52.44 H new ATOM 0 HB2 GLU A 31 5.506 -17.109 14.200 1.00 4.52 H new ATOM 0 HB3 GLU A 31 5.497 -18.508 13.145 1.00 4.52 H new ATOM 0 HG2 GLU A 31 5.355 -19.979 15.193 1.00 3.23 H new ATOM 0 HG3 GLU A 31 5.214 -18.532 16.172 1.00 3.23 H new ATOM 307 N LEU A 32 7.947 -20.033 12.742 1.00 62.10 N ATOM 308 CA LEU A 32 8.359 -21.361 12.312 1.00 4.04 C ATOM 309 C LEU A 32 9.850 -21.593 12.554 1.00 3.45 C ATOM 310 O LEU A 32 10.350 -22.687 12.301 1.00 73.33 O ATOM 311 CB LEU A 32 8.041 -21.595 10.819 1.00 32.15 C ATOM 312 CG LEU A 32 6.583 -21.935 10.403 1.00 45.04 C ATOM 313 CD1 LEU A 32 5.574 -20.850 10.752 1.00 12.31 C ATOM 314 CD2 LEU A 32 6.539 -22.237 8.925 1.00 1.02 C ATOM 0 H LEU A 32 7.856 -19.358 11.983 1.00 62.10 H new ATOM 0 HA LEU A 32 7.791 -22.072 12.911 1.00 4.04 H new ATOM 0 HB2 LEU A 32 8.338 -20.698 10.275 1.00 32.15 H new ATOM 0 HB3 LEU A 32 8.680 -22.406 10.470 1.00 32.15 H new ATOM 0 HG LEU A 32 6.288 -22.811 10.981 1.00 45.04 H new ATOM 0 HD11 LEU A 32 4.580 -21.161 10.430 1.00 12.31 H new ATOM 0 HD12 LEU A 32 5.572 -20.688 11.830 1.00 12.31 H new ATOM 0 HD13 LEU A 32 5.846 -19.924 10.246 1.00 12.31 H new ATOM 0 HD21 LEU A 32 5.516 -22.476 8.633 1.00 1.02 H new ATOM 0 HD22 LEU A 32 6.883 -21.367 8.365 1.00 1.02 H new ATOM 0 HD23 LEU A 32 7.186 -23.087 8.708 1.00 1.02 H new ATOM 326 N ASN A 33 10.547 -20.544 13.044 1.00 73.45 N ATOM 327 CA ASN A 33 12.008 -20.574 13.301 1.00 35.12 C ATOM 328 C ASN A 33 12.720 -20.871 11.967 1.00 33.22 C ATOM 329 O ASN A 33 13.730 -21.582 11.886 1.00 12.12 O ATOM 330 CB ASN A 33 12.349 -21.639 14.388 1.00 54.31 C ATOM 331 CG ASN A 33 13.768 -21.521 14.969 1.00 53.55 C ATOM 332 OD1 ASN A 33 13.991 -20.835 15.959 1.00 42.42 O ATOM 333 ND2 ASN A 33 14.724 -22.181 14.368 1.00 4.30 N ATOM 0 H ASN A 33 10.113 -19.650 13.274 1.00 73.45 H new ATOM 0 HA ASN A 33 12.350 -19.613 13.685 1.00 35.12 H new ATOM 0 HB2 ASN A 33 11.628 -21.554 15.201 1.00 54.31 H new ATOM 0 HB3 ASN A 33 12.227 -22.633 13.957 1.00 54.31 H new ATOM 0 HD21 ASN A 33 15.679 -22.131 14.722 1.00 4.30 H new ATOM 0 HD22 ASN A 33 14.514 -22.746 13.545 1.00 4.30 H new ATOM 340 N LEU A 34 12.194 -20.283 10.931 1.00 4.43 N ATOM 341 CA LEU A 34 12.670 -20.495 9.608 1.00 65.21 C ATOM 342 C LEU A 34 13.270 -19.243 9.026 1.00 3.42 C ATOM 343 O LEU A 34 13.296 -18.194 9.652 1.00 60.41 O ATOM 344 CB LEU A 34 11.555 -21.057 8.696 1.00 14.22 C ATOM 345 CG LEU A 34 11.224 -22.541 8.870 1.00 35.03 C ATOM 346 CD1 LEU A 34 10.151 -22.964 7.886 1.00 4.24 C ATOM 347 CD2 LEU A 34 12.472 -23.401 8.696 1.00 43.11 C ATOM 0 H LEU A 34 11.410 -19.633 10.990 1.00 4.43 H new ATOM 0 HA LEU A 34 13.464 -21.240 9.664 1.00 65.21 H new ATOM 0 HB2 LEU A 34 10.647 -20.481 8.871 1.00 14.22 H new ATOM 0 HB3 LEU A 34 11.844 -20.890 7.658 1.00 14.22 H new ATOM 0 HG LEU A 34 10.847 -22.688 9.882 1.00 35.03 H new ATOM 0 HD11 LEU A 34 9.928 -24.022 8.024 1.00 4.24 H new ATOM 0 HD12 LEU A 34 9.248 -22.377 8.058 1.00 4.24 H new ATOM 0 HD13 LEU A 34 10.504 -22.797 6.868 1.00 4.24 H new ATOM 0 HD21 LEU A 34 12.211 -24.451 8.824 1.00 43.11 H new ATOM 0 HD22 LEU A 34 12.883 -23.249 7.698 1.00 43.11 H new ATOM 0 HD23 LEU A 34 13.215 -23.118 9.441 1.00 43.11 H new ATOM 359 N THR A 35 13.780 -19.373 7.848 1.00 12.45 N ATOM 360 CA THR A 35 14.350 -18.292 7.125 1.00 31.41 C ATOM 361 C THR A 35 13.636 -18.237 5.786 1.00 53.51 C ATOM 362 O THR A 35 13.061 -19.254 5.374 1.00 71.31 O ATOM 363 CB THR A 35 15.868 -18.535 6.922 1.00 4.32 C ATOM 364 OG1 THR A 35 16.074 -19.838 6.353 1.00 2.24 O ATOM 365 CG2 THR A 35 16.613 -18.452 8.247 1.00 41.51 C ATOM 0 H THR A 35 13.812 -20.262 7.349 1.00 12.45 H new ATOM 0 HA THR A 35 14.235 -17.351 7.663 1.00 31.41 H new ATOM 0 HB THR A 35 16.251 -17.765 6.252 1.00 4.32 H new ATOM 0 HG1 THR A 35 17.033 -19.990 6.223 1.00 2.24 H new ATOM 0 HG21 THR A 35 17.676 -18.626 8.078 1.00 41.51 H new ATOM 0 HG22 THR A 35 16.472 -17.463 8.682 1.00 41.51 H new ATOM 0 HG23 THR A 35 16.226 -19.208 8.930 1.00 41.51 H new ATOM 373 N PRO A 36 13.619 -17.089 5.090 1.00 1.30 N ATOM 374 CA PRO A 36 12.956 -16.973 3.780 1.00 2.22 C ATOM 375 C PRO A 36 13.530 -17.947 2.713 1.00 71.14 C ATOM 376 O PRO A 36 12.897 -18.215 1.708 1.00 12.01 O ATOM 377 CB PRO A 36 13.187 -15.511 3.361 1.00 63.30 C ATOM 378 CG PRO A 36 14.253 -14.992 4.268 1.00 14.40 C ATOM 379 CD PRO A 36 14.181 -15.799 5.533 1.00 34.23 C ATOM 0 HA PRO A 36 11.902 -17.239 3.855 1.00 2.22 H new ATOM 0 HB2 PRO A 36 13.496 -15.447 2.318 1.00 63.30 H new ATOM 0 HB3 PRO A 36 12.272 -14.927 3.459 1.00 63.30 H new ATOM 0 HG2 PRO A 36 15.235 -15.088 3.804 1.00 14.40 H new ATOM 0 HG3 PRO A 36 14.101 -13.933 4.476 1.00 14.40 H new ATOM 0 HD2 PRO A 36 15.165 -15.924 5.985 1.00 34.23 H new ATOM 0 HD3 PRO A 36 13.546 -15.320 6.279 1.00 34.23 H new ATOM 387 N GLN A 37 14.733 -18.483 2.961 1.00 53.13 N ATOM 388 CA GLN A 37 15.352 -19.438 2.029 1.00 1.03 C ATOM 389 C GLN A 37 14.835 -20.849 2.300 1.00 13.51 C ATOM 390 O GLN A 37 15.200 -21.802 1.620 1.00 3.54 O ATOM 391 CB GLN A 37 16.898 -19.451 2.112 1.00 43.12 C ATOM 392 CG GLN A 37 17.578 -18.087 2.129 1.00 43.23 C ATOM 393 CD GLN A 37 17.721 -17.531 3.535 1.00 45.40 C ATOM 394 OE1 GLN A 37 16.848 -16.857 4.045 1.00 14.20 O ATOM 395 NE2 GLN A 37 18.831 -17.813 4.166 1.00 32.22 N ATOM 0 H GLN A 37 15.292 -18.275 3.789 1.00 53.13 H new ATOM 0 HA GLN A 37 15.075 -19.110 1.027 1.00 1.03 H new ATOM 0 HB2 GLN A 37 17.189 -19.991 3.013 1.00 43.12 H new ATOM 0 HB3 GLN A 37 17.283 -20.016 1.263 1.00 43.12 H new ATOM 0 HG2 GLN A 37 18.564 -18.169 1.671 1.00 43.23 H new ATOM 0 HG3 GLN A 37 17.002 -17.389 1.522 1.00 43.23 H new ATOM 0 HE21 GLN A 37 19.546 -18.381 3.712 1.00 32.22 H new ATOM 0 HE22 GLN A 37 18.982 -17.465 5.113 1.00 32.22 H new ATOM 404 N GLN A 38 14.047 -20.978 3.331 1.00 40.20 N ATOM 405 CA GLN A 38 13.429 -22.238 3.686 1.00 51.42 C ATOM 406 C GLN A 38 11.946 -22.099 3.525 1.00 73.41 C ATOM 407 O GLN A 38 11.278 -22.937 2.905 1.00 1.22 O ATOM 408 CB GLN A 38 13.774 -22.617 5.126 1.00 14.45 C ATOM 409 CG GLN A 38 15.249 -22.887 5.346 1.00 52.02 C ATOM 410 CD GLN A 38 15.730 -24.133 4.619 1.00 50.01 C ATOM 411 OE1 GLN A 38 15.719 -25.215 5.170 1.00 42.54 O ATOM 412 NE2 GLN A 38 16.108 -23.997 3.371 1.00 64.21 N ATOM 0 H GLN A 38 13.810 -20.209 3.958 1.00 40.20 H new ATOM 0 HA GLN A 38 13.802 -23.028 3.035 1.00 51.42 H new ATOM 0 HB2 GLN A 38 13.457 -21.813 5.790 1.00 14.45 H new ATOM 0 HB3 GLN A 38 13.205 -23.504 5.406 1.00 14.45 H new ATOM 0 HG2 GLN A 38 15.827 -22.027 5.007 1.00 52.02 H new ATOM 0 HG3 GLN A 38 15.439 -22.998 6.414 1.00 52.02 H new ATOM 0 HE21 GLN A 38 16.107 -23.075 2.935 1.00 64.21 H new ATOM 0 HE22 GLN A 38 16.404 -24.813 2.836 1.00 64.21 H new ATOM 421 N LEU A 39 11.426 -21.020 4.052 1.00 65.54 N ATOM 422 CA LEU A 39 10.040 -20.743 3.942 1.00 63.02 C ATOM 423 C LEU A 39 9.832 -19.926 2.678 1.00 41.43 C ATOM 424 O LEU A 39 9.807 -18.698 2.700 1.00 12.32 O ATOM 425 CB LEU A 39 9.517 -20.015 5.202 1.00 54.10 C ATOM 426 CG LEU A 39 8.008 -20.100 5.511 1.00 14.23 C ATOM 427 CD1 LEU A 39 7.721 -19.453 6.840 1.00 23.22 C ATOM 428 CD2 LEU A 39 7.174 -19.440 4.443 1.00 0.33 C ATOM 0 H LEU A 39 11.960 -20.319 4.565 1.00 65.54 H new ATOM 0 HA LEU A 39 9.468 -21.668 3.873 1.00 63.02 H new ATOM 0 HB2 LEU A 39 10.057 -20.408 6.063 1.00 54.10 H new ATOM 0 HB3 LEU A 39 9.781 -18.961 5.113 1.00 54.10 H new ATOM 0 HG LEU A 39 7.740 -21.156 5.541 1.00 14.23 H new ATOM 0 HD11 LEU A 39 6.654 -19.516 7.053 1.00 23.22 H new ATOM 0 HD12 LEU A 39 8.278 -19.968 7.623 1.00 23.22 H new ATOM 0 HD13 LEU A 39 8.023 -18.406 6.808 1.00 23.22 H new ATOM 0 HD21 LEU A 39 6.119 -19.524 4.702 1.00 0.33 H new ATOM 0 HD22 LEU A 39 7.447 -18.387 4.367 1.00 0.33 H new ATOM 0 HD23 LEU A 39 7.353 -19.931 3.486 1.00 0.33 H new ATOM 440 N HIS A 40 9.848 -20.633 1.587 1.00 11.43 N ATOM 441 CA HIS A 40 9.540 -20.104 0.293 1.00 22.04 C ATOM 442 C HIS A 40 8.026 -19.947 0.208 1.00 14.01 C ATOM 443 O HIS A 40 7.304 -20.618 0.951 1.00 60.02 O ATOM 444 CB HIS A 40 10.074 -21.090 -0.786 1.00 34.03 C ATOM 445 CG HIS A 40 9.659 -20.809 -2.209 1.00 2.11 C ATOM 446 ND1 HIS A 40 8.794 -21.617 -2.923 1.00 32.10 N ATOM 447 CD2 HIS A 40 10.005 -19.803 -3.048 1.00 30.10 C ATOM 448 CE1 HIS A 40 8.644 -21.087 -4.140 1.00 75.41 C ATOM 449 NE2 HIS A 40 9.356 -19.988 -4.268 1.00 32.21 N ATOM 0 H HIS A 40 10.083 -21.625 1.574 1.00 11.43 H new ATOM 0 HA HIS A 40 10.008 -19.134 0.126 1.00 22.04 H new ATOM 0 HB2 HIS A 40 11.163 -21.091 -0.741 1.00 34.03 H new ATOM 0 HB3 HIS A 40 9.744 -22.095 -0.525 1.00 34.03 H new ATOM 0 HD2 HIS A 40 10.675 -18.990 -2.810 1.00 30.10 H new ATOM 0 HE1 HIS A 40 8.021 -21.505 -4.916 1.00 75.41 H new ATOM 0 HE2 HIS A 40 9.420 -19.392 -5.093 1.00 32.21 H new ATOM 457 N GLU A 41 7.572 -19.073 -0.685 1.00 73.43 N ATOM 458 CA GLU A 41 6.154 -18.777 -0.923 1.00 31.51 C ATOM 459 C GLU A 41 5.296 -20.040 -0.890 1.00 41.32 C ATOM 460 O GLU A 41 4.421 -20.187 -0.046 1.00 12.22 O ATOM 461 CB GLU A 41 5.995 -18.129 -2.301 1.00 31.52 C ATOM 462 CG GLU A 41 6.833 -16.884 -2.522 1.00 53.11 C ATOM 463 CD GLU A 41 6.470 -15.761 -1.592 1.00 54.32 C ATOM 464 OE1 GLU A 41 6.975 -15.733 -0.452 1.00 34.31 O ATOM 465 OE2 GLU A 41 5.712 -14.869 -1.997 1.00 3.32 O ATOM 0 H GLU A 41 8.196 -18.532 -1.284 1.00 73.43 H new ATOM 0 HA GLU A 41 5.822 -18.107 -0.130 1.00 31.51 H new ATOM 0 HB2 GLU A 41 6.254 -18.863 -3.064 1.00 31.52 H new ATOM 0 HB3 GLU A 41 4.946 -17.874 -2.447 1.00 31.52 H new ATOM 0 HG2 GLU A 41 7.886 -17.133 -2.389 1.00 53.11 H new ATOM 0 HG3 GLU A 41 6.712 -16.549 -3.552 1.00 53.11 H new ATOM 472 N GLU A 42 5.605 -20.972 -1.764 1.00 20.13 N ATOM 473 CA GLU A 42 4.801 -22.169 -1.885 1.00 22.21 C ATOM 474 C GLU A 42 5.326 -23.350 -1.072 1.00 41.22 C ATOM 475 O GLU A 42 5.061 -24.511 -1.395 1.00 15.31 O ATOM 476 CB GLU A 42 4.546 -22.527 -3.350 1.00 52.52 C ATOM 477 CG GLU A 42 3.712 -21.475 -4.080 1.00 34.15 C ATOM 478 CD GLU A 42 2.397 -21.177 -3.364 1.00 75.00 C ATOM 479 OE1 GLU A 42 2.373 -20.278 -2.501 1.00 41.42 O ATOM 480 OE2 GLU A 42 1.390 -21.840 -3.634 1.00 61.10 O ATOM 0 H GLU A 42 6.402 -20.926 -2.398 1.00 20.13 H new ATOM 0 HA GLU A 42 3.837 -21.932 -1.435 1.00 22.21 H new ATOM 0 HB2 GLU A 42 5.501 -22.646 -3.862 1.00 52.52 H new ATOM 0 HB3 GLU A 42 4.035 -23.488 -3.401 1.00 52.52 H new ATOM 0 HG2 GLU A 42 4.290 -20.555 -4.170 1.00 34.15 H new ATOM 0 HG3 GLU A 42 3.502 -21.820 -5.092 1.00 34.15 H new ATOM 487 N SER A 43 6.043 -23.069 -0.017 1.00 24.53 N ATOM 488 CA SER A 43 6.406 -24.106 0.899 1.00 22.23 C ATOM 489 C SER A 43 5.217 -24.314 1.829 1.00 12.54 C ATOM 490 O SER A 43 4.809 -23.384 2.526 1.00 64.02 O ATOM 491 CB SER A 43 7.669 -23.734 1.690 1.00 62.44 C ATOM 492 OG SER A 43 8.794 -23.580 0.824 1.00 31.02 O ATOM 0 H SER A 43 6.383 -22.138 0.225 1.00 24.53 H new ATOM 0 HA SER A 43 6.640 -25.025 0.362 1.00 22.23 H new ATOM 0 HB2 SER A 43 7.499 -22.807 2.237 1.00 62.44 H new ATOM 0 HB3 SER A 43 7.879 -24.507 2.429 1.00 62.44 H new ATOM 0 HG SER A 43 9.613 -23.817 1.307 1.00 31.02 H new ATOM 498 N ASN A 44 4.619 -25.513 1.766 1.00 43.44 N ATOM 499 CA ASN A 44 3.437 -25.855 2.577 1.00 35.43 C ATOM 500 C ASN A 44 3.734 -25.555 4.031 1.00 74.21 C ATOM 501 O ASN A 44 4.625 -26.162 4.606 1.00 52.52 O ATOM 502 CB ASN A 44 3.121 -27.344 2.492 1.00 2.51 C ATOM 503 CG ASN A 44 1.726 -27.674 3.002 1.00 71.53 C ATOM 504 OD1 ASN A 44 1.526 -27.876 4.192 1.00 33.22 O ATOM 505 ND2 ASN A 44 0.768 -27.759 2.109 1.00 14.33 N ATOM 0 H ASN A 44 4.936 -26.268 1.158 1.00 43.44 H new ATOM 0 HA ASN A 44 2.596 -25.274 2.200 1.00 35.43 H new ATOM 0 HB2 ASN A 44 3.213 -27.673 1.457 1.00 2.51 H new ATOM 0 HB3 ASN A 44 3.857 -27.902 3.071 1.00 2.51 H new ATOM 0 HD21 ASN A 44 -0.180 -28.000 2.399 1.00 14.33 H new ATOM 0 HD22 ASN A 44 0.971 -27.584 1.125 1.00 14.33 H new ATOM 512 N LEU A 45 2.985 -24.657 4.623 1.00 15.10 N ATOM 513 CA LEU A 45 3.264 -24.217 5.991 1.00 53.03 C ATOM 514 C LEU A 45 3.097 -25.336 7.000 1.00 24.35 C ATOM 515 O LEU A 45 3.836 -25.414 7.978 1.00 52.41 O ATOM 516 CB LEU A 45 2.396 -23.029 6.367 1.00 11.23 C ATOM 517 CG LEU A 45 2.500 -21.823 5.444 1.00 2.04 C ATOM 518 CD1 LEU A 45 1.631 -20.699 5.956 1.00 34.44 C ATOM 519 CD2 LEU A 45 3.944 -21.357 5.299 1.00 24.41 C ATOM 0 H LEU A 45 2.177 -24.210 4.190 1.00 15.10 H new ATOM 0 HA LEU A 45 4.309 -23.910 6.017 1.00 53.03 H new ATOM 0 HB2 LEU A 45 1.356 -23.355 6.394 1.00 11.23 H new ATOM 0 HB3 LEU A 45 2.658 -22.715 7.377 1.00 11.23 H new ATOM 0 HG LEU A 45 2.148 -22.122 4.457 1.00 2.04 H new ATOM 0 HD11 LEU A 45 1.714 -19.842 5.288 1.00 34.44 H new ATOM 0 HD12 LEU A 45 0.593 -21.030 5.995 1.00 34.44 H new ATOM 0 HD13 LEU A 45 1.958 -20.413 6.956 1.00 34.44 H new ATOM 0 HD21 LEU A 45 3.983 -20.495 4.634 1.00 24.41 H new ATOM 0 HD22 LEU A 45 4.336 -21.079 6.277 1.00 24.41 H new ATOM 0 HD23 LEU A 45 4.547 -22.164 4.883 1.00 24.41 H new ATOM 531 N ILE A 46 2.178 -26.226 6.727 1.00 20.41 N ATOM 532 CA ILE A 46 1.905 -27.350 7.621 1.00 33.44 C ATOM 533 C ILE A 46 3.045 -28.384 7.535 1.00 52.14 C ATOM 534 O ILE A 46 3.302 -29.139 8.463 1.00 71.11 O ATOM 535 CB ILE A 46 0.524 -28.003 7.298 1.00 52.43 C ATOM 536 CG1 ILE A 46 -0.577 -26.926 7.350 1.00 4.13 C ATOM 537 CG2 ILE A 46 0.205 -29.140 8.278 1.00 64.55 C ATOM 538 CD1 ILE A 46 -1.975 -27.436 7.044 1.00 42.00 C ATOM 0 H ILE A 46 1.596 -26.204 5.890 1.00 20.41 H new ATOM 0 HA ILE A 46 1.856 -26.976 8.643 1.00 33.44 H new ATOM 0 HB ILE A 46 0.567 -28.431 6.297 1.00 52.43 H new ATOM 0 HG12 ILE A 46 -0.578 -26.474 8.342 1.00 4.13 H new ATOM 0 HG13 ILE A 46 -0.329 -26.137 6.640 1.00 4.13 H new ATOM 0 HG21 ILE A 46 -0.763 -29.575 8.028 1.00 64.55 H new ATOM 0 HG22 ILE A 46 0.977 -29.907 8.209 1.00 64.55 H new ATOM 0 HG23 ILE A 46 0.174 -28.747 9.294 1.00 64.55 H new ATOM 0 HD11 ILE A 46 -2.685 -26.611 7.104 1.00 42.00 H new ATOM 0 HD12 ILE A 46 -1.996 -27.861 6.040 1.00 42.00 H new ATOM 0 HD13 ILE A 46 -2.249 -28.203 7.768 1.00 42.00 H new ATOM 550 N GLN A 47 3.739 -28.371 6.421 1.00 13.41 N ATOM 551 CA GLN A 47 4.876 -29.256 6.188 1.00 64.33 C ATOM 552 C GLN A 47 6.174 -28.558 6.594 1.00 45.13 C ATOM 553 O GLN A 47 7.232 -29.166 6.635 1.00 24.43 O ATOM 554 CB GLN A 47 4.911 -29.667 4.709 1.00 55.22 C ATOM 555 CG GLN A 47 3.701 -30.487 4.275 1.00 74.22 C ATOM 556 CD GLN A 47 3.601 -31.825 4.992 1.00 25.34 C ATOM 557 OE1 GLN A 47 4.118 -32.825 4.529 1.00 63.23 O ATOM 558 NE2 GLN A 47 2.952 -31.846 6.131 1.00 21.24 N ATOM 0 H GLN A 47 3.536 -27.746 5.641 1.00 13.41 H new ATOM 0 HA GLN A 47 4.771 -30.155 6.796 1.00 64.33 H new ATOM 0 HB2 GLN A 47 4.972 -28.770 4.093 1.00 55.22 H new ATOM 0 HB3 GLN A 47 5.817 -30.244 4.522 1.00 55.22 H new ATOM 0 HG2 GLN A 47 2.794 -29.912 4.462 1.00 74.22 H new ATOM 0 HG3 GLN A 47 3.753 -30.660 3.200 1.00 74.22 H new ATOM 0 HE21 GLN A 47 2.529 -30.991 6.493 1.00 21.24 H new ATOM 0 HE22 GLN A 47 2.870 -32.717 6.655 1.00 21.24 H new ATOM 567 N ALA A 48 6.069 -27.271 6.867 1.00 20.14 N ATOM 568 CA ALA A 48 7.207 -26.468 7.257 1.00 2.34 C ATOM 569 C ALA A 48 7.289 -26.344 8.777 1.00 1.31 C ATOM 570 O ALA A 48 8.335 -26.574 9.366 1.00 71.13 O ATOM 571 CB ALA A 48 7.135 -25.092 6.601 1.00 71.13 C ATOM 0 H ALA A 48 5.190 -26.755 6.824 1.00 20.14 H new ATOM 0 HA ALA A 48 8.114 -26.965 6.913 1.00 2.34 H new ATOM 0 HB1 ALA A 48 7.998 -24.499 6.904 1.00 71.13 H new ATOM 0 HB2 ALA A 48 7.135 -25.205 5.517 1.00 71.13 H new ATOM 0 HB3 ALA A 48 6.221 -24.588 6.913 1.00 71.13 H new ATOM 577 N GLY A 49 6.182 -25.978 9.410 1.00 73.32 N ATOM 578 CA GLY A 49 6.190 -25.862 10.851 1.00 31.24 C ATOM 579 C GLY A 49 5.062 -25.010 11.389 1.00 13.21 C ATOM 580 O GLY A 49 5.272 -24.178 12.270 1.00 61.03 O ATOM 0 H GLY A 49 5.293 -25.763 8.958 1.00 73.32 H new ATOM 0 HA2 GLY A 49 6.125 -26.858 11.289 1.00 31.24 H new ATOM 0 HA3 GLY A 49 7.141 -25.436 11.169 1.00 31.24 H new ATOM 584 N LEU A 50 3.874 -25.223 10.878 1.00 74.51 N ATOM 585 CA LEU A 50 2.669 -24.518 11.297 1.00 31.03 C ATOM 586 C LEU A 50 1.583 -25.547 11.355 1.00 20.43 C ATOM 587 O LEU A 50 1.415 -26.316 10.417 1.00 32.33 O ATOM 588 CB LEU A 50 2.299 -23.448 10.259 1.00 1.33 C ATOM 589 CG LEU A 50 1.181 -22.481 10.651 1.00 21.25 C ATOM 590 CD1 LEU A 50 1.655 -21.525 11.722 1.00 33.31 C ATOM 591 CD2 LEU A 50 0.679 -21.720 9.453 1.00 2.31 C ATOM 0 H LEU A 50 3.705 -25.907 10.140 1.00 74.51 H new ATOM 0 HA LEU A 50 2.814 -24.025 12.258 1.00 31.03 H new ATOM 0 HB2 LEU A 50 3.192 -22.865 10.035 1.00 1.33 H new ATOM 0 HB3 LEU A 50 2.008 -23.952 9.337 1.00 1.33 H new ATOM 0 HG LEU A 50 0.354 -23.069 11.051 1.00 21.25 H new ATOM 0 HD11 LEU A 50 0.845 -20.845 11.987 1.00 33.31 H new ATOM 0 HD12 LEU A 50 1.959 -22.089 12.604 1.00 33.31 H new ATOM 0 HD13 LEU A 50 2.503 -20.951 11.348 1.00 33.31 H new ATOM 0 HD21 LEU A 50 -0.115 -21.040 9.761 1.00 2.31 H new ATOM 0 HD22 LEU A 50 1.498 -21.148 9.016 1.00 2.31 H new ATOM 0 HD23 LEU A 50 0.291 -22.420 8.714 1.00 2.31 H new ATOM 603 N ASP A 51 0.898 -25.593 12.442 1.00 20.00 N ATOM 604 CA ASP A 51 -0.143 -26.553 12.643 1.00 52.51 C ATOM 605 C ASP A 51 -1.473 -25.922 12.382 1.00 51.31 C ATOM 606 O ASP A 51 -1.560 -24.697 12.257 1.00 51.22 O ATOM 607 CB ASP A 51 -0.104 -27.098 14.079 1.00 43.41 C ATOM 608 CG ASP A 51 -0.067 -25.990 15.116 1.00 63.13 C ATOM 609 OD1 ASP A 51 -1.114 -25.383 15.414 1.00 42.34 O ATOM 610 OD2 ASP A 51 1.055 -25.672 15.592 1.00 32.31 O ATOM 0 H ASP A 51 1.042 -24.961 13.229 1.00 20.00 H new ATOM 0 HA ASP A 51 0.010 -27.380 11.949 1.00 52.51 H new ATOM 0 HB2 ASP A 51 -0.979 -27.724 14.251 1.00 43.41 H new ATOM 0 HB3 ASP A 51 0.772 -27.735 14.200 1.00 43.41 H new ATOM 667 N ILE A 53 -4.268 -25.413 14.200 1.00 34.43 N ATOM 668 CA ILE A 53 -4.612 -24.387 15.177 1.00 11.43 C ATOM 669 C ILE A 53 -3.890 -23.066 14.891 1.00 53.32 C ATOM 670 O ILE A 53 -4.530 -21.997 14.850 1.00 34.34 O ATOM 671 CB ILE A 53 -4.252 -24.853 16.609 1.00 13.13 C ATOM 672 CG1 ILE A 53 -5.014 -26.143 16.968 1.00 41.32 C ATOM 673 CG2 ILE A 53 -4.531 -23.747 17.641 1.00 42.15 C ATOM 674 CD1 ILE A 53 -6.535 -26.022 16.917 1.00 52.24 C ATOM 0 HA ILE A 53 -5.687 -24.224 15.099 1.00 11.43 H new ATOM 0 HB ILE A 53 -3.184 -25.068 16.634 1.00 13.13 H new ATOM 0 HG12 ILE A 53 -4.703 -26.934 16.285 1.00 41.32 H new ATOM 0 HG13 ILE A 53 -4.722 -26.454 17.971 1.00 41.32 H new ATOM 0 HG21 ILE A 53 -4.268 -24.104 18.637 1.00 42.15 H new ATOM 0 HG22 ILE A 53 -3.934 -22.867 17.402 1.00 42.15 H new ATOM 0 HG23 ILE A 53 -5.589 -23.485 17.617 1.00 42.15 H new ATOM 0 HD11 ILE A 53 -6.985 -26.978 17.184 1.00 52.24 H new ATOM 0 HD12 ILE A 53 -6.863 -25.257 17.621 1.00 52.24 H new ATOM 0 HD13 ILE A 53 -6.844 -25.744 15.909 1.00 52.24 H new ATOM 686 N ARG A 54 -2.581 -23.128 14.651 1.00 41.15 N ATOM 687 CA ARG A 54 -1.834 -21.953 14.354 1.00 74.34 C ATOM 688 C ARG A 54 -2.226 -21.286 13.053 1.00 22.23 C ATOM 689 O ARG A 54 -2.190 -20.055 12.954 1.00 53.53 O ATOM 690 CB ARG A 54 -0.381 -22.191 14.433 1.00 15.42 C ATOM 691 CG ARG A 54 0.096 -22.196 15.841 1.00 1.35 C ATOM 692 CD ARG A 54 1.562 -22.110 15.863 1.00 62.11 C ATOM 693 NE ARG A 54 2.170 -23.333 15.424 1.00 60.12 N ATOM 694 CZ ARG A 54 3.291 -23.439 14.755 1.00 44.40 C ATOM 695 NH1 ARG A 54 3.908 -22.355 14.259 1.00 42.03 N ATOM 696 NH2 ARG A 54 3.770 -24.644 14.521 1.00 23.25 N ATOM 0 H ARG A 54 -2.035 -23.989 14.661 1.00 41.15 H new ATOM 0 HA ARG A 54 -2.098 -21.239 15.135 1.00 74.34 H new ATOM 0 HB2 ARG A 54 -0.142 -23.145 13.964 1.00 15.42 H new ATOM 0 HB3 ARG A 54 0.146 -21.419 13.872 1.00 15.42 H new ATOM 0 HG2 ARG A 54 -0.336 -21.356 16.385 1.00 1.35 H new ATOM 0 HG3 ARG A 54 -0.233 -23.105 16.344 1.00 1.35 H new ATOM 0 HD2 ARG A 54 1.888 -21.291 15.223 1.00 62.11 H new ATOM 0 HD3 ARG A 54 1.898 -21.878 16.874 1.00 62.11 H new ATOM 0 HE ARG A 54 1.684 -24.200 15.654 1.00 60.12 H new ATOM 0 HH11 ARG A 54 3.504 -21.429 14.401 1.00 42.03 H new ATOM 0 HH12 ARG A 54 4.780 -22.457 13.741 1.00 42.03 H new ATOM 0 HH21 ARG A 54 3.270 -25.466 14.859 1.00 23.25 H new ATOM 0 HH22 ARG A 54 4.641 -24.755 14.002 1.00 23.25 H new ATOM 710 N LEU A 55 -2.622 -22.066 12.094 1.00 24.14 N ATOM 711 CA LEU A 55 -3.109 -21.564 10.825 1.00 43.53 C ATOM 712 C LEU A 55 -4.492 -20.997 10.998 1.00 13.55 C ATOM 713 O LEU A 55 -4.809 -19.957 10.438 1.00 73.04 O ATOM 714 CB LEU A 55 -3.121 -22.671 9.778 1.00 63.33 C ATOM 715 CG LEU A 55 -3.488 -22.251 8.352 1.00 43.31 C ATOM 716 CD1 LEU A 55 -2.911 -23.214 7.405 1.00 25.02 C ATOM 717 CD2 LEU A 55 -4.992 -22.193 8.128 1.00 44.25 C ATOM 0 H LEU A 55 -2.620 -23.084 12.162 1.00 24.14 H new ATOM 0 HA LEU A 55 -2.440 -20.775 10.481 1.00 43.53 H new ATOM 0 HB2 LEU A 55 -2.133 -23.132 9.756 1.00 63.33 H new ATOM 0 HB3 LEU A 55 -3.824 -23.439 10.100 1.00 63.33 H new ATOM 0 HG LEU A 55 -3.088 -21.249 8.196 1.00 43.31 H new ATOM 0 HD11 LEU A 55 -3.168 -22.922 6.387 1.00 25.02 H new ATOM 0 HD12 LEU A 55 -1.827 -23.228 7.516 1.00 25.02 H new ATOM 0 HD13 LEU A 55 -3.309 -24.208 7.609 1.00 25.02 H new ATOM 0 HD21 LEU A 55 -5.195 -21.890 7.101 1.00 44.25 H new ATOM 0 HD22 LEU A 55 -5.425 -23.177 8.309 1.00 44.25 H new ATOM 0 HD23 LEU A 55 -5.434 -21.470 8.814 1.00 44.25 H new ATOM 729 N MET A 56 -5.321 -21.678 11.758 1.00 55.23 N ATOM 730 CA MET A 56 -6.665 -21.198 12.013 1.00 71.03 C ATOM 731 C MET A 56 -6.610 -19.837 12.677 1.00 74.44 C ATOM 732 O MET A 56 -7.468 -18.979 12.440 1.00 3.52 O ATOM 733 CB MET A 56 -7.444 -22.139 12.895 1.00 34.44 C ATOM 734 CG MET A 56 -8.841 -21.618 13.212 1.00 53.14 C ATOM 735 SD MET A 56 -9.465 -22.223 14.762 1.00 62.23 S ATOM 736 CE MET A 56 -8.110 -21.690 15.800 1.00 14.21 C ATOM 0 H MET A 56 -5.091 -22.563 12.210 1.00 55.23 H new ATOM 0 HA MET A 56 -7.172 -21.133 11.050 1.00 71.03 H new ATOM 0 HB2 MET A 56 -7.524 -23.109 12.405 1.00 34.44 H new ATOM 0 HB3 MET A 56 -6.898 -22.296 13.825 1.00 34.44 H new ATOM 0 HG2 MET A 56 -8.821 -20.528 13.234 1.00 53.14 H new ATOM 0 HG3 MET A 56 -9.523 -21.909 12.413 1.00 53.14 H new ATOM 0 HE1 MET A 56 -8.475 -21.510 16.811 1.00 14.21 H new ATOM 0 HE2 MET A 56 -7.343 -22.464 15.824 1.00 14.21 H new ATOM 0 HE3 MET A 56 -7.684 -20.770 15.399 1.00 14.21 H new ATOM 746 N ARG A 57 -5.595 -19.635 13.513 1.00 51.42 N ATOM 747 CA ARG A 57 -5.385 -18.350 14.124 1.00 61.53 C ATOM 748 C ARG A 57 -5.203 -17.286 13.045 1.00 10.11 C ATOM 749 O ARG A 57 -5.586 -16.152 13.222 1.00 63.23 O ATOM 750 CB ARG A 57 -4.124 -18.292 14.852 1.00 33.41 C ATOM 751 CG ARG A 57 -3.943 -19.193 16.011 1.00 72.33 C ATOM 752 CD ARG A 57 -2.606 -18.868 16.556 1.00 42.14 C ATOM 753 NE ARG A 57 -1.596 -18.963 15.474 1.00 21.32 N ATOM 754 CZ ARG A 57 -0.290 -18.674 15.516 1.00 24.41 C ATOM 755 NH1 ARG A 57 0.310 -18.280 16.626 1.00 70.20 N ATOM 756 NH2 ARG A 57 0.417 -18.788 14.412 1.00 23.32 N ATOM 0 H ARG A 57 -4.915 -20.348 13.774 1.00 51.42 H new ATOM 0 HA ARG A 57 -6.246 -18.189 14.773 1.00 61.53 H new ATOM 0 HB2 ARG A 57 -3.321 -18.496 14.144 1.00 33.41 H new ATOM 0 HB3 ARG A 57 -3.988 -17.269 15.202 1.00 33.41 H new ATOM 0 HG2 ARG A 57 -4.721 -19.034 16.758 1.00 72.33 H new ATOM 0 HG3 ARG A 57 -4.001 -20.239 15.709 1.00 72.33 H new ATOM 0 HD2 ARG A 57 -2.608 -17.864 16.979 1.00 42.14 H new ATOM 0 HD3 ARG A 57 -2.354 -19.554 17.365 1.00 42.14 H new ATOM 0 HE ARG A 57 -1.945 -19.294 14.574 1.00 21.32 H new ATOM 0 HH11 ARG A 57 -0.225 -18.187 17.490 1.00 70.20 H new ATOM 0 HH12 ARG A 57 1.308 -18.069 16.619 1.00 70.20 H new ATOM 0 HH21 ARG A 57 -0.032 -19.091 13.548 1.00 23.32 H new ATOM 0 HH22 ARG A 57 1.414 -18.573 14.420 1.00 23.32 H new ATOM 770 N TRP A 58 -4.581 -17.682 11.912 1.00 35.05 N ATOM 771 CA TRP A 58 -4.300 -16.756 10.843 1.00 63.34 C ATOM 772 C TRP A 58 -5.560 -16.288 10.167 1.00 54.51 C ATOM 773 O TRP A 58 -5.633 -15.158 9.710 1.00 41.20 O ATOM 774 CB TRP A 58 -3.285 -17.321 9.846 1.00 22.43 C ATOM 775 CG TRP A 58 -1.882 -17.350 10.370 1.00 14.23 C ATOM 776 CD1 TRP A 58 -1.041 -18.415 10.398 1.00 42.13 C ATOM 777 CD2 TRP A 58 -1.155 -16.245 10.944 1.00 22.14 C ATOM 778 NE1 TRP A 58 0.164 -18.050 10.952 1.00 23.51 N ATOM 779 CE2 TRP A 58 0.123 -16.720 11.286 1.00 65.45 C ATOM 780 CE3 TRP A 58 -1.461 -14.899 11.192 1.00 34.54 C ATOM 781 CZ2 TRP A 58 1.097 -15.894 11.863 1.00 42.12 C ATOM 782 CZ3 TRP A 58 -0.501 -14.091 11.763 1.00 52.24 C ATOM 783 CH2 TRP A 58 0.761 -14.589 12.088 1.00 43.33 C ATOM 0 H TRP A 58 -4.273 -18.638 11.735 1.00 35.05 H new ATOM 0 HA TRP A 58 -3.837 -15.878 11.293 1.00 63.34 H new ATOM 0 HB2 TRP A 58 -3.582 -18.333 9.572 1.00 22.43 H new ATOM 0 HB3 TRP A 58 -3.311 -16.723 8.935 1.00 22.43 H new ATOM 0 HD1 TRP A 58 -1.283 -19.404 10.038 1.00 42.13 H new ATOM 0 HE1 TRP A 58 0.962 -18.670 11.092 1.00 23.51 H new ATOM 0 HE3 TRP A 58 -2.433 -14.502 10.940 1.00 34.54 H new ATOM 0 HZ2 TRP A 58 2.075 -16.274 12.120 1.00 42.12 H new ATOM 0 HZ3 TRP A 58 -0.730 -13.054 11.962 1.00 52.24 H new ATOM 0 HH2 TRP A 58 1.491 -13.926 12.529 1.00 43.33 H new ATOM 794 N LEU A 59 -6.581 -17.131 10.148 1.00 65.13 N ATOM 795 CA LEU A 59 -7.857 -16.701 9.626 1.00 32.13 C ATOM 796 C LEU A 59 -8.467 -15.693 10.571 1.00 61.25 C ATOM 797 O LEU A 59 -9.165 -14.781 10.164 1.00 32.21 O ATOM 798 CB LEU A 59 -8.822 -17.841 9.419 1.00 31.23 C ATOM 799 CG LEU A 59 -10.159 -17.401 8.822 1.00 14.31 C ATOM 800 CD1 LEU A 59 -9.962 -16.714 7.480 1.00 24.34 C ATOM 801 CD2 LEU A 59 -11.042 -18.559 8.664 1.00 50.41 C ATOM 0 H LEU A 59 -6.549 -18.095 10.481 1.00 65.13 H new ATOM 0 HA LEU A 59 -7.673 -16.256 8.648 1.00 32.13 H new ATOM 0 HB2 LEU A 59 -8.364 -18.580 8.762 1.00 31.23 H new ATOM 0 HB3 LEU A 59 -9.003 -18.333 10.375 1.00 31.23 H new ATOM 0 HG LEU A 59 -10.617 -16.687 9.506 1.00 14.31 H new ATOM 0 HD11 LEU A 59 -10.930 -16.412 7.080 1.00 24.34 H new ATOM 0 HD12 LEU A 59 -9.333 -15.833 7.611 1.00 24.34 H new ATOM 0 HD13 LEU A 59 -9.481 -17.403 6.786 1.00 24.34 H new ATOM 0 HD21 LEU A 59 -11.992 -18.237 8.238 1.00 50.41 H new ATOM 0 HD22 LEU A 59 -10.574 -19.285 7.999 1.00 50.41 H new ATOM 0 HD23 LEU A 59 -11.218 -19.018 9.637 1.00 50.41 H new ATOM 813 N HIS A 60 -8.156 -15.842 11.832 1.00 3.33 N ATOM 814 CA HIS A 60 -8.606 -14.921 12.855 1.00 60.00 C ATOM 815 C HIS A 60 -7.904 -13.590 12.713 1.00 4.01 C ATOM 816 O HIS A 60 -8.362 -12.584 13.215 1.00 21.21 O ATOM 817 CB HIS A 60 -8.394 -15.504 14.248 1.00 71.15 C ATOM 818 CG HIS A 60 -9.356 -16.575 14.567 1.00 60.43 C ATOM 819 ND1 HIS A 60 -9.098 -17.924 14.524 1.00 75.12 N ATOM 820 CD2 HIS A 60 -10.612 -16.449 14.931 1.00 15.33 C ATOM 821 CE1 HIS A 60 -10.217 -18.561 14.869 1.00 35.23 C ATOM 822 NE2 HIS A 60 -11.183 -17.701 15.126 1.00 42.21 N ATOM 0 H HIS A 60 -7.581 -16.607 12.185 1.00 3.33 H new ATOM 0 HA HIS A 60 -9.676 -14.760 12.723 1.00 60.00 H new ATOM 0 HB2 HIS A 60 -7.380 -15.897 14.323 1.00 71.15 H new ATOM 0 HB3 HIS A 60 -8.483 -14.709 14.988 1.00 71.15 H new ATOM 0 HD1 HIS A 60 -8.210 -18.359 14.273 1.00 75.12 H new ATOM 0 HD2 HIS A 60 -11.127 -15.508 15.060 1.00 15.33 H new ATOM 0 HE1 HIS A 60 -10.319 -19.635 14.930 1.00 35.23 H new ATOM 830 N TRP A 61 -6.793 -13.606 12.036 1.00 32.22 N ATOM 831 CA TRP A 61 -6.084 -12.417 11.711 1.00 33.15 C ATOM 832 C TRP A 61 -6.710 -11.817 10.450 1.00 41.23 C ATOM 833 O TRP A 61 -7.142 -10.669 10.463 1.00 42.12 O ATOM 834 CB TRP A 61 -4.592 -12.739 11.541 1.00 11.54 C ATOM 835 CG TRP A 61 -3.720 -11.589 11.146 1.00 53.33 C ATOM 836 CD1 TRP A 61 -3.382 -10.500 11.901 1.00 51.43 C ATOM 837 CD2 TRP A 61 -3.031 -11.445 9.906 1.00 20.12 C ATOM 838 NE1 TRP A 61 -2.539 -9.679 11.187 1.00 62.42 N ATOM 839 CE2 TRP A 61 -2.309 -10.241 9.961 1.00 23.31 C ATOM 840 CE3 TRP A 61 -2.962 -12.219 8.747 1.00 25.22 C ATOM 841 CZ2 TRP A 61 -1.526 -9.796 8.905 1.00 0.23 C ATOM 842 CZ3 TRP A 61 -2.183 -11.775 7.704 1.00 14.33 C ATOM 843 CH2 TRP A 61 -1.478 -10.576 7.791 1.00 10.12 C ATOM 0 H TRP A 61 -6.353 -14.460 11.693 1.00 32.22 H new ATOM 0 HA TRP A 61 -6.156 -11.678 12.509 1.00 33.15 H new ATOM 0 HB2 TRP A 61 -4.218 -13.148 12.480 1.00 11.54 H new ATOM 0 HB3 TRP A 61 -4.492 -13.522 10.789 1.00 11.54 H new ATOM 0 HD1 TRP A 61 -3.725 -10.312 12.908 1.00 51.43 H new ATOM 0 HE1 TRP A 61 -2.150 -8.796 11.518 1.00 62.42 H new ATOM 0 HE3 TRP A 61 -3.509 -13.147 8.671 1.00 25.22 H new ATOM 0 HZ2 TRP A 61 -0.977 -8.868 8.965 1.00 0.23 H new ATOM 0 HZ3 TRP A 61 -2.117 -12.366 6.802 1.00 14.33 H new ATOM 0 HH2 TRP A 61 -0.877 -10.257 6.952 1.00 10.12 H new ATOM 854 N PHE A 62 -6.832 -12.641 9.404 1.00 44.34 N ATOM 855 CA PHE A 62 -7.431 -12.244 8.119 1.00 12.43 C ATOM 856 C PHE A 62 -8.845 -11.690 8.265 1.00 71.14 C ATOM 857 O PHE A 62 -9.130 -10.581 7.843 1.00 43.33 O ATOM 858 CB PHE A 62 -7.484 -13.423 7.139 1.00 40.33 C ATOM 859 CG PHE A 62 -6.176 -13.839 6.552 1.00 3.24 C ATOM 860 CD1 PHE A 62 -5.390 -12.924 5.888 1.00 41.32 C ATOM 861 CD2 PHE A 62 -5.755 -15.158 6.619 1.00 23.21 C ATOM 862 CE1 PHE A 62 -4.206 -13.311 5.306 1.00 54.43 C ATOM 863 CE2 PHE A 62 -4.568 -15.548 6.044 1.00 52.42 C ATOM 864 CZ PHE A 62 -3.793 -14.624 5.386 1.00 5.31 C ATOM 0 H PHE A 62 -6.516 -13.611 9.422 1.00 44.34 H new ATOM 0 HA PHE A 62 -6.784 -11.456 7.734 1.00 12.43 H new ATOM 0 HB2 PHE A 62 -7.919 -14.280 7.654 1.00 40.33 H new ATOM 0 HB3 PHE A 62 -8.160 -13.164 6.324 1.00 40.33 H new ATOM 0 HD1 PHE A 62 -5.706 -11.893 5.824 1.00 41.32 H new ATOM 0 HD2 PHE A 62 -6.366 -15.888 7.129 1.00 23.21 H new ATOM 0 HE1 PHE A 62 -3.599 -12.585 4.785 1.00 54.43 H new ATOM 0 HE2 PHE A 62 -4.246 -16.577 6.110 1.00 52.42 H new ATOM 0 HZ PHE A 62 -2.861 -14.926 4.932 1.00 5.31 H new ATOM 874 N ARG A 63 -9.718 -12.467 8.866 1.00 42.13 N ATOM 875 CA ARG A 63 -11.128 -12.123 9.013 1.00 55.01 C ATOM 876 C ARG A 63 -11.307 -10.851 9.816 1.00 64.20 C ATOM 877 O ARG A 63 -12.200 -10.056 9.573 1.00 24.52 O ATOM 878 CB ARG A 63 -11.820 -13.254 9.705 1.00 12.25 C ATOM 879 CG ARG A 63 -13.310 -13.114 9.739 1.00 52.40 C ATOM 880 CD ARG A 63 -13.899 -14.415 10.118 1.00 44.33 C ATOM 881 NE ARG A 63 -13.589 -14.806 11.508 1.00 55.40 N ATOM 882 CZ ARG A 63 -13.522 -16.077 11.952 1.00 11.55 C ATOM 883 NH1 ARG A 63 -13.687 -17.093 11.098 1.00 31.24 N ATOM 884 NH2 ARG A 63 -13.283 -16.325 13.241 1.00 3.34 N ATOM 0 H ARG A 63 -9.473 -13.369 9.274 1.00 42.13 H new ATOM 0 HA ARG A 63 -11.555 -11.954 8.025 1.00 55.01 H new ATOM 0 HB2 ARG A 63 -11.562 -14.187 9.204 1.00 12.25 H new ATOM 0 HB3 ARG A 63 -11.447 -13.327 10.727 1.00 12.25 H new ATOM 0 HG2 ARG A 63 -13.601 -12.345 10.454 1.00 52.40 H new ATOM 0 HG3 ARG A 63 -13.683 -12.800 8.764 1.00 52.40 H new ATOM 0 HD2 ARG A 63 -14.981 -14.368 9.992 1.00 44.33 H new ATOM 0 HD3 ARG A 63 -13.532 -15.185 9.439 1.00 44.33 H new ATOM 0 HE ARG A 63 -13.413 -14.060 12.181 1.00 55.40 H new ATOM 0 HH11 ARG A 63 -13.863 -16.906 10.111 1.00 31.24 H new ATOM 0 HH12 ARG A 63 -13.636 -18.055 11.434 1.00 31.24 H new ATOM 0 HH21 ARG A 63 -13.151 -15.552 13.893 1.00 3.34 H new ATOM 0 HH22 ARG A 63 -13.233 -17.288 13.574 1.00 3.34 H new ATOM 898 N LYS A 64 -10.400 -10.656 10.730 1.00 55.54 N ATOM 899 CA LYS A 64 -10.399 -9.529 11.628 1.00 55.13 C ATOM 900 C LYS A 64 -9.855 -8.283 10.912 1.00 1.35 C ATOM 901 O LYS A 64 -10.014 -7.164 11.375 1.00 71.50 O ATOM 902 CB LYS A 64 -9.511 -9.895 12.778 1.00 3.10 C ATOM 903 CG LYS A 64 -9.439 -8.914 13.909 1.00 14.12 C ATOM 904 CD LYS A 64 -8.409 -9.367 14.923 1.00 13.00 C ATOM 905 CE LYS A 64 -7.018 -9.526 14.275 1.00 1.21 C ATOM 906 NZ LYS A 64 -6.635 -8.362 13.406 1.00 74.33 N ATOM 0 H LYS A 64 -9.617 -11.293 10.878 1.00 55.54 H new ATOM 0 HA LYS A 64 -11.408 -9.299 11.971 1.00 55.13 H new ATOM 0 HB2 LYS A 64 -9.848 -10.852 13.178 1.00 3.10 H new ATOM 0 HB3 LYS A 64 -8.502 -10.047 12.394 1.00 3.10 H new ATOM 0 HG2 LYS A 64 -9.177 -7.927 13.529 1.00 14.12 H new ATOM 0 HG3 LYS A 64 -10.415 -8.824 14.385 1.00 14.12 H new ATOM 0 HD2 LYS A 64 -8.353 -8.643 15.736 1.00 13.00 H new ATOM 0 HD3 LYS A 64 -8.719 -10.316 15.361 1.00 13.00 H new ATOM 0 HE2 LYS A 64 -6.271 -9.648 15.059 1.00 1.21 H new ATOM 0 HE3 LYS A 64 -7.004 -10.438 13.677 1.00 1.21 H new ATOM 0 HZ1 LYS A 64 -5.614 -8.185 13.493 1.00 74.33 H new ATOM 0 HZ2 LYS A 64 -6.866 -8.578 12.415 1.00 74.33 H new ATOM 0 HZ3 LYS A 64 -7.160 -7.516 13.707 1.00 74.33 H new ATOM 920 N ASN A 65 -9.181 -8.512 9.807 1.00 73.53 N ATOM 921 CA ASN A 65 -8.670 -7.442 8.955 1.00 3.01 C ATOM 922 C ASN A 65 -9.653 -7.214 7.811 1.00 73.55 C ATOM 923 O ASN A 65 -9.393 -6.465 6.877 1.00 34.32 O ATOM 924 CB ASN A 65 -7.254 -7.776 8.405 1.00 40.45 C ATOM 925 CG ASN A 65 -6.119 -7.662 9.439 1.00 22.32 C ATOM 926 OD1 ASN A 65 -6.321 -7.830 10.675 1.00 62.43 O ATOM 927 ND2 ASN A 65 -4.914 -7.402 8.965 1.00 30.42 N ATOM 0 H ASN A 65 -8.967 -9.449 9.465 1.00 73.53 H new ATOM 0 HA ASN A 65 -8.574 -6.532 9.548 1.00 3.01 H new ATOM 0 HB2 ASN A 65 -7.264 -8.791 8.007 1.00 40.45 H new ATOM 0 HB3 ASN A 65 -7.036 -7.108 7.571 1.00 40.45 H new ATOM 0 HD21 ASN A 65 -4.120 -7.333 9.601 1.00 30.42 H new ATOM 0 HD22 ASN A 65 -4.778 -7.271 7.963 1.00 30.42 H new ATOM 934 N GLY A 66 -10.799 -7.885 7.900 1.00 2.30 N ATOM 935 CA GLY A 66 -11.847 -7.720 6.928 1.00 11.11 C ATOM 936 C GLY A 66 -11.726 -8.654 5.742 1.00 63.13 C ATOM 937 O GLY A 66 -12.272 -8.376 4.668 1.00 4.12 O ATOM 0 H GLY A 66 -11.014 -8.549 8.644 1.00 2.30 H new ATOM 0 HA2 GLY A 66 -12.810 -7.884 7.412 1.00 11.11 H new ATOM 0 HA3 GLY A 66 -11.841 -6.690 6.571 1.00 11.11 H new ATOM 941 N TYR A 67 -11.016 -9.747 5.893 1.00 24.00 N ATOM 942 CA TYR A 67 -10.876 -10.689 4.804 1.00 11.31 C ATOM 943 C TYR A 67 -11.980 -11.673 4.710 1.00 52.23 C ATOM 944 O TYR A 67 -12.355 -12.323 5.679 1.00 31.40 O ATOM 945 CB TYR A 67 -9.524 -11.372 4.769 1.00 32.31 C ATOM 946 CG TYR A 67 -8.492 -10.463 4.236 1.00 0.20 C ATOM 947 CD1 TYR A 67 -7.901 -9.525 5.050 1.00 64.30 C ATOM 948 CD2 TYR A 67 -8.163 -10.491 2.892 1.00 50.40 C ATOM 949 CE1 TYR A 67 -7.002 -8.639 4.562 1.00 61.22 C ATOM 950 CE2 TYR A 67 -7.277 -9.601 2.369 1.00 40.24 C ATOM 951 CZ TYR A 67 -6.687 -8.659 3.239 1.00 52.04 C ATOM 952 OH TYR A 67 -5.846 -7.725 2.771 1.00 60.50 O ATOM 0 H TYR A 67 -10.529 -10.006 6.751 1.00 24.00 H new ATOM 0 HA TYR A 67 -10.944 -10.068 3.911 1.00 11.31 H new ATOM 0 HB2 TYR A 67 -9.248 -11.694 5.773 1.00 32.31 H new ATOM 0 HB3 TYR A 67 -9.580 -12.268 4.151 1.00 32.31 H new ATOM 0 HD1 TYR A 67 -8.159 -9.495 6.098 1.00 64.30 H new ATOM 0 HD2 TYR A 67 -8.616 -11.231 2.249 1.00 50.40 H new ATOM 0 HE1 TYR A 67 -6.537 -7.920 5.220 1.00 61.22 H new ATOM 0 HE2 TYR A 67 -7.032 -9.615 1.317 1.00 40.24 H new ATOM 0 HH TYR A 67 -5.301 -7.377 3.507 1.00 60.50 H new ATOM 962 N ARG A 68 -12.478 -11.790 3.510 1.00 34.44 N ATOM 963 CA ARG A 68 -13.528 -12.705 3.171 1.00 53.44 C ATOM 964 C ARG A 68 -12.909 -14.034 2.788 1.00 53.53 C ATOM 965 O ARG A 68 -13.095 -14.535 1.686 1.00 73.11 O ATOM 966 CB ARG A 68 -14.332 -12.149 2.006 1.00 11.02 C ATOM 967 CG ARG A 68 -15.070 -10.865 2.300 1.00 43.33 C ATOM 968 CD ARG A 68 -14.487 -9.692 1.517 1.00 65.42 C ATOM 969 NE ARG A 68 -13.237 -9.151 2.114 1.00 43.40 N ATOM 970 CZ ARG A 68 -12.140 -8.742 1.437 1.00 22.22 C ATOM 971 NH1 ARG A 68 -12.023 -8.948 0.139 1.00 45.22 N ATOM 972 NH2 ARG A 68 -11.154 -8.138 2.088 1.00 51.41 N ATOM 0 H ARG A 68 -12.153 -11.234 2.719 1.00 34.44 H new ATOM 0 HA ARG A 68 -14.194 -12.843 4.022 1.00 53.44 H new ATOM 0 HB2 ARG A 68 -13.658 -11.980 1.166 1.00 11.02 H new ATOM 0 HB3 ARG A 68 -15.054 -12.902 1.689 1.00 11.02 H new ATOM 0 HG2 ARG A 68 -16.124 -10.984 2.048 1.00 43.33 H new ATOM 0 HG3 ARG A 68 -15.020 -10.652 3.368 1.00 43.33 H new ATOM 0 HD2 ARG A 68 -14.285 -10.011 0.495 1.00 65.42 H new ATOM 0 HD3 ARG A 68 -15.229 -8.896 1.462 1.00 65.42 H new ATOM 0 HE ARG A 68 -13.204 -9.082 3.131 1.00 43.40 H new ATOM 0 HH11 ARG A 68 -12.768 -9.423 -0.371 1.00 45.22 H new ATOM 0 HH12 ARG A 68 -11.188 -8.632 -0.354 1.00 45.22 H new ATOM 0 HH21 ARG A 68 -11.226 -7.984 3.094 1.00 51.41 H new ATOM 0 HH22 ARG A 68 -10.324 -7.827 1.583 1.00 51.41 H new ATOM 986 N LEU A 69 -12.174 -14.567 3.702 1.00 32.51 N ATOM 987 CA LEU A 69 -11.454 -15.818 3.537 1.00 20.14 C ATOM 988 C LEU A 69 -12.078 -16.879 4.391 1.00 13.12 C ATOM 989 O LEU A 69 -12.664 -16.573 5.438 1.00 62.10 O ATOM 990 CB LEU A 69 -9.968 -15.650 3.901 1.00 1.14 C ATOM 991 CG LEU A 69 -9.084 -14.939 2.872 1.00 40.23 C ATOM 992 CD1 LEU A 69 -7.738 -14.613 3.471 1.00 63.43 C ATOM 993 CD2 LEU A 69 -8.874 -15.836 1.674 1.00 41.10 C ATOM 0 H LEU A 69 -12.042 -14.144 4.621 1.00 32.51 H new ATOM 0 HA LEU A 69 -11.515 -16.116 2.490 1.00 20.14 H new ATOM 0 HB2 LEU A 69 -9.908 -15.099 4.840 1.00 1.14 H new ATOM 0 HB3 LEU A 69 -9.549 -16.639 4.084 1.00 1.14 H new ATOM 0 HG LEU A 69 -9.581 -14.017 2.570 1.00 40.23 H new ATOM 0 HD11 LEU A 69 -7.121 -14.108 2.727 1.00 63.43 H new ATOM 0 HD12 LEU A 69 -7.872 -13.961 4.334 1.00 63.43 H new ATOM 0 HD13 LEU A 69 -7.247 -15.534 3.785 1.00 63.43 H new ATOM 0 HD21 LEU A 69 -8.245 -15.327 0.944 1.00 41.10 H new ATOM 0 HD22 LEU A 69 -8.388 -16.759 1.991 1.00 41.10 H new ATOM 0 HD23 LEU A 69 -9.838 -16.070 1.222 1.00 41.10 H new ATOM 1005 N THR A 70 -11.966 -18.103 3.968 1.00 60.12 N ATOM 1006 CA THR A 70 -12.516 -19.177 4.704 1.00 3.14 C ATOM 1007 C THR A 70 -11.357 -20.064 5.166 1.00 14.23 C ATOM 1008 O THR A 70 -10.278 -20.060 4.559 1.00 14.20 O ATOM 1009 CB THR A 70 -13.484 -19.974 3.840 1.00 4.55 C ATOM 1010 OG1 THR A 70 -14.016 -19.130 2.799 1.00 1.42 O ATOM 1011 CG2 THR A 70 -14.633 -20.526 4.675 1.00 11.01 C ATOM 0 H THR A 70 -11.492 -18.373 3.106 1.00 60.12 H new ATOM 0 HA THR A 70 -13.073 -18.803 5.563 1.00 3.14 H new ATOM 0 HB THR A 70 -12.939 -20.809 3.400 1.00 4.55 H new ATOM 0 HG1 THR A 70 -13.657 -19.414 1.932 1.00 1.42 H new ATOM 0 HG21 THR A 70 -15.310 -21.091 4.034 1.00 11.01 H new ATOM 0 HG22 THR A 70 -14.237 -21.181 5.451 1.00 11.01 H new ATOM 0 HG23 THR A 70 -15.175 -19.702 5.138 1.00 11.01 H new ATOM 1019 N LEU A 71 -11.578 -20.804 6.220 1.00 51.43 N ATOM 1020 CA LEU A 71 -10.529 -21.573 6.872 1.00 3.34 C ATOM 1021 C LEU A 71 -10.093 -22.799 6.088 1.00 63.11 C ATOM 1022 O LEU A 71 -8.915 -23.143 6.064 1.00 75.43 O ATOM 1023 CB LEU A 71 -11.017 -22.006 8.258 1.00 75.34 C ATOM 1024 CG LEU A 71 -10.032 -22.781 9.118 1.00 51.34 C ATOM 1025 CD1 LEU A 71 -8.794 -21.959 9.426 1.00 3.43 C ATOM 1026 CD2 LEU A 71 -10.694 -23.235 10.394 1.00 14.12 C ATOM 0 H LEU A 71 -12.494 -20.897 6.660 1.00 51.43 H new ATOM 0 HA LEU A 71 -9.657 -20.923 6.941 1.00 3.34 H new ATOM 0 HB2 LEU A 71 -11.319 -21.114 8.806 1.00 75.34 H new ATOM 0 HB3 LEU A 71 -11.910 -22.618 8.128 1.00 75.34 H new ATOM 0 HG LEU A 71 -9.715 -23.658 8.553 1.00 51.34 H new ATOM 0 HD11 LEU A 71 -8.112 -22.545 10.043 1.00 3.43 H new ATOM 0 HD12 LEU A 71 -8.297 -21.686 8.495 1.00 3.43 H new ATOM 0 HD13 LEU A 71 -9.082 -21.055 9.962 1.00 3.43 H new ATOM 0 HD21 LEU A 71 -9.976 -23.789 10.999 1.00 14.12 H new ATOM 0 HD22 LEU A 71 -11.045 -22.366 10.951 1.00 14.12 H new ATOM 0 HD23 LEU A 71 -11.540 -23.879 10.156 1.00 14.12 H new ATOM 1038 N ARG A 72 -11.014 -23.438 5.431 1.00 5.25 N ATOM 1039 CA ARG A 72 -10.706 -24.719 4.864 1.00 23.35 C ATOM 1040 C ARG A 72 -9.990 -24.656 3.548 1.00 41.15 C ATOM 1041 O ARG A 72 -9.268 -25.584 3.205 1.00 23.44 O ATOM 1042 CB ARG A 72 -11.888 -25.662 4.911 1.00 54.34 C ATOM 1043 CG ARG A 72 -12.267 -25.947 6.367 1.00 25.13 C ATOM 1044 CD ARG A 72 -13.424 -26.906 6.551 1.00 64.21 C ATOM 1045 NE ARG A 72 -13.700 -27.093 8.000 1.00 44.44 N ATOM 1046 CZ ARG A 72 -14.600 -27.929 8.541 1.00 42.40 C ATOM 1047 NH1 ARG A 72 -15.355 -28.708 7.756 1.00 44.12 N ATOM 1048 NH2 ARG A 72 -14.739 -27.982 9.873 1.00 34.31 N ATOM 0 H ARG A 72 -11.965 -23.104 5.276 1.00 5.25 H new ATOM 0 HA ARG A 72 -9.957 -25.169 5.516 1.00 23.35 H new ATOM 0 HB2 ARG A 72 -12.736 -25.224 4.384 1.00 54.34 H new ATOM 0 HB3 ARG A 72 -11.642 -26.593 4.401 1.00 54.34 H new ATOM 0 HG2 ARG A 72 -11.395 -26.351 6.881 1.00 25.13 H new ATOM 0 HG3 ARG A 72 -12.516 -25.004 6.853 1.00 25.13 H new ATOM 0 HD2 ARG A 72 -14.311 -26.520 6.050 1.00 64.21 H new ATOM 0 HD3 ARG A 72 -13.190 -27.865 6.090 1.00 64.21 H new ATOM 0 HE ARG A 72 -13.150 -26.529 8.648 1.00 44.44 H new ATOM 0 HH11 ARG A 72 -15.247 -28.668 6.742 1.00 44.12 H new ATOM 0 HH12 ARG A 72 -16.038 -29.342 8.172 1.00 44.12 H new ATOM 0 HH21 ARG A 72 -14.162 -27.389 10.470 1.00 34.31 H new ATOM 0 HH22 ARG A 72 -15.421 -28.615 10.290 1.00 34.31 H new ATOM 1062 N GLU A 73 -10.151 -23.566 2.825 1.00 61.23 N ATOM 1063 CA GLU A 73 -9.364 -23.366 1.632 1.00 64.50 C ATOM 1064 C GLU A 73 -7.913 -23.182 2.018 1.00 4.33 C ATOM 1065 O GLU A 73 -7.013 -23.663 1.332 1.00 32.12 O ATOM 1066 CB GLU A 73 -9.808 -22.158 0.791 1.00 54.24 C ATOM 1067 CG GLU A 73 -11.231 -22.201 0.286 1.00 65.14 C ATOM 1068 CD GLU A 73 -12.203 -21.643 1.279 1.00 0.41 C ATOM 1069 OE1 GLU A 73 -12.393 -22.243 2.361 1.00 54.34 O ATOM 1070 OE2 GLU A 73 -12.735 -20.534 1.009 1.00 33.03 O ATOM 0 H GLU A 73 -10.810 -22.818 3.040 1.00 61.23 H new ATOM 0 HA GLU A 73 -9.508 -24.253 1.015 1.00 64.50 H new ATOM 0 HB2 GLU A 73 -9.681 -21.256 1.389 1.00 54.24 H new ATOM 0 HB3 GLU A 73 -9.140 -22.069 -0.066 1.00 54.24 H new ATOM 0 HG2 GLU A 73 -11.301 -21.637 -0.644 1.00 65.14 H new ATOM 0 HG3 GLU A 73 -11.502 -23.231 0.056 1.00 65.14 H new ATOM 1077 N LEU A 74 -7.692 -22.507 3.149 1.00 63.21 N ATOM 1078 CA LEU A 74 -6.342 -22.262 3.618 1.00 4.00 C ATOM 1079 C LEU A 74 -5.705 -23.571 4.057 1.00 24.22 C ATOM 1080 O LEU A 74 -4.509 -23.731 3.980 1.00 60.04 O ATOM 1081 CB LEU A 74 -6.275 -21.292 4.804 1.00 62.34 C ATOM 1082 CG LEU A 74 -6.931 -19.924 4.676 1.00 11.31 C ATOM 1083 CD1 LEU A 74 -6.447 -19.017 5.777 1.00 5.45 C ATOM 1084 CD2 LEU A 74 -6.677 -19.286 3.346 1.00 22.12 C ATOM 0 H LEU A 74 -8.427 -22.127 3.746 1.00 63.21 H new ATOM 0 HA LEU A 74 -5.811 -21.811 2.780 1.00 4.00 H new ATOM 0 HB2 LEU A 74 -6.721 -21.792 5.664 1.00 62.34 H new ATOM 0 HB3 LEU A 74 -5.223 -21.132 5.039 1.00 62.34 H new ATOM 0 HG LEU A 74 -8.007 -20.076 4.762 1.00 11.31 H new ATOM 0 HD11 LEU A 74 -6.921 -18.040 5.679 1.00 5.45 H new ATOM 0 HD12 LEU A 74 -6.704 -19.449 6.744 1.00 5.45 H new ATOM 0 HD13 LEU A 74 -5.365 -18.904 5.706 1.00 5.45 H new ATOM 0 HD21 LEU A 74 -7.167 -18.313 3.309 1.00 22.12 H new ATOM 0 HD22 LEU A 74 -5.604 -19.157 3.203 1.00 22.12 H new ATOM 0 HD23 LEU A 74 -7.074 -19.923 2.555 1.00 22.12 H new ATOM 1096 N TYR A 75 -6.526 -24.487 4.564 1.00 24.34 N ATOM 1097 CA TYR A 75 -6.040 -25.803 4.961 1.00 2.33 C ATOM 1098 C TYR A 75 -5.735 -26.660 3.772 1.00 25.04 C ATOM 1099 O TYR A 75 -4.818 -27.475 3.811 1.00 70.44 O ATOM 1100 CB TYR A 75 -7.005 -26.545 5.900 1.00 23.20 C ATOM 1101 CG TYR A 75 -6.986 -26.076 7.302 1.00 25.30 C ATOM 1102 CD1 TYR A 75 -5.795 -25.820 7.935 1.00 71.43 C ATOM 1103 CD2 TYR A 75 -8.154 -25.922 8.007 1.00 75.12 C ATOM 1104 CE1 TYR A 75 -5.762 -25.413 9.241 1.00 73.35 C ATOM 1105 CE2 TYR A 75 -8.136 -25.515 9.313 1.00 20.24 C ATOM 1106 CZ TYR A 75 -6.939 -25.259 9.926 1.00 31.40 C ATOM 1107 OH TYR A 75 -6.920 -24.860 11.230 1.00 11.11 O ATOM 0 H TYR A 75 -7.525 -24.342 4.709 1.00 24.34 H new ATOM 0 HA TYR A 75 -5.120 -25.618 5.515 1.00 2.33 H new ATOM 0 HB2 TYR A 75 -8.018 -26.444 5.511 1.00 23.20 H new ATOM 0 HB3 TYR A 75 -6.762 -27.607 5.883 1.00 23.20 H new ATOM 0 HD1 TYR A 75 -4.869 -25.942 7.393 1.00 71.43 H new ATOM 0 HD2 TYR A 75 -9.099 -26.125 7.525 1.00 75.12 H new ATOM 0 HE1 TYR A 75 -4.818 -25.215 9.727 1.00 73.35 H new ATOM 0 HE2 TYR A 75 -9.061 -25.396 9.857 1.00 20.24 H new ATOM 0 HH TYR A 75 -6.035 -24.502 11.450 1.00 11.11 H new ATOM 1117 N ALA A 76 -6.498 -26.483 2.721 1.00 51.22 N ATOM 1118 CA ALA A 76 -6.298 -27.263 1.537 1.00 2.35 C ATOM 1119 C ALA A 76 -5.030 -26.818 0.815 1.00 24.13 C ATOM 1120 O ALA A 76 -4.268 -27.638 0.304 1.00 24.10 O ATOM 1121 CB ALA A 76 -7.512 -27.199 0.623 1.00 74.22 C ATOM 0 H ALA A 76 -7.259 -25.806 2.667 1.00 51.22 H new ATOM 0 HA ALA A 76 -6.171 -28.305 1.830 1.00 2.35 H new ATOM 0 HB1 ALA A 76 -7.329 -27.801 -0.267 1.00 74.22 H new ATOM 0 HB2 ALA A 76 -8.385 -27.585 1.150 1.00 74.22 H new ATOM 0 HB3 ALA A 76 -7.693 -26.165 0.331 1.00 74.22 H new ATOM 1127 N ALA A 77 -4.809 -25.524 0.787 1.00 52.54 N ATOM 1128 CA ALA A 77 -3.620 -24.977 0.191 1.00 14.41 C ATOM 1129 C ALA A 77 -3.006 -23.931 1.110 1.00 71.24 C ATOM 1130 O ALA A 77 -3.348 -22.749 1.037 1.00 23.31 O ATOM 1131 CB ALA A 77 -3.910 -24.391 -1.188 1.00 2.13 C ATOM 0 H ALA A 77 -5.446 -24.828 1.175 1.00 52.54 H new ATOM 0 HA ALA A 77 -2.902 -25.786 0.057 1.00 14.41 H new ATOM 0 HB1 ALA A 77 -2.991 -23.986 -1.612 1.00 2.13 H new ATOM 0 HB2 ALA A 77 -4.297 -25.173 -1.842 1.00 2.13 H new ATOM 0 HB3 ALA A 77 -4.649 -23.595 -1.097 1.00 2.13 H new ATOM 1137 N PRO A 78 -2.169 -24.353 2.068 1.00 74.03 N ATOM 1138 CA PRO A 78 -1.494 -23.435 2.939 1.00 11.24 C ATOM 1139 C PRO A 78 -0.138 -23.070 2.383 1.00 73.24 C ATOM 1140 O PRO A 78 0.893 -23.707 2.719 1.00 62.14 O ATOM 1141 CB PRO A 78 -1.333 -24.231 4.244 1.00 3.52 C ATOM 1142 CG PRO A 78 -1.629 -25.669 3.893 1.00 63.45 C ATOM 1143 CD PRO A 78 -1.865 -25.732 2.405 1.00 23.12 C ATOM 0 HA PRO A 78 -2.037 -22.499 3.068 1.00 11.24 H new ATOM 0 HB2 PRO A 78 -0.324 -24.126 4.643 1.00 3.52 H new ATOM 0 HB3 PRO A 78 -2.018 -23.867 5.010 1.00 3.52 H new ATOM 0 HG2 PRO A 78 -0.796 -26.312 4.177 1.00 63.45 H new ATOM 0 HG3 PRO A 78 -2.505 -26.024 4.436 1.00 63.45 H new ATOM 0 HD2 PRO A 78 -0.986 -26.094 1.871 1.00 23.12 H new ATOM 0 HD3 PRO A 78 -2.689 -26.401 2.154 1.00 23.12 H new ATOM 1151 N THR A 79 -0.140 -22.074 1.542 1.00 40.35 N ATOM 1152 CA THR A 79 1.031 -21.578 0.889 1.00 43.51 C ATOM 1153 C THR A 79 0.886 -20.064 0.727 1.00 54.22 C ATOM 1154 O THR A 79 -0.225 -19.556 0.568 1.00 21.50 O ATOM 1155 CB THR A 79 1.237 -22.271 -0.484 1.00 40.30 C ATOM 1156 OG1 THR A 79 0.035 -22.248 -1.251 1.00 70.40 O ATOM 1157 CG2 THR A 79 1.706 -23.710 -0.336 1.00 22.14 C ATOM 0 H THR A 79 -0.989 -21.570 1.286 1.00 40.35 H new ATOM 0 HA THR A 79 1.912 -21.799 1.491 1.00 43.51 H new ATOM 0 HB THR A 79 2.014 -21.708 -1.001 1.00 40.30 H new ATOM 0 HG1 THR A 79 0.254 -22.121 -2.198 1.00 70.40 H new ATOM 0 HG21 THR A 79 1.836 -24.154 -1.323 1.00 22.14 H new ATOM 0 HG22 THR A 79 2.655 -23.730 0.199 1.00 22.14 H new ATOM 0 HG23 THR A 79 0.963 -24.279 0.222 1.00 22.14 H new ATOM 1165 N LEU A 80 1.976 -19.361 0.761 1.00 53.22 N ATOM 1166 CA LEU A 80 1.962 -17.921 0.804 1.00 42.40 C ATOM 1167 C LEU A 80 1.631 -17.226 -0.500 1.00 3.14 C ATOM 1168 O LEU A 80 0.983 -16.186 -0.469 1.00 61.13 O ATOM 1169 CB LEU A 80 3.213 -17.379 1.473 1.00 25.12 C ATOM 1170 CG LEU A 80 3.067 -17.130 2.966 1.00 71.40 C ATOM 1171 CD1 LEU A 80 4.402 -17.111 3.632 1.00 50.32 C ATOM 1172 CD2 LEU A 80 2.402 -15.803 3.195 1.00 51.14 C ATOM 0 H LEU A 80 2.911 -19.769 0.760 1.00 53.22 H new ATOM 0 HA LEU A 80 1.107 -17.666 1.430 1.00 42.40 H new ATOM 0 HB2 LEU A 80 4.030 -18.082 1.312 1.00 25.12 H new ATOM 0 HB3 LEU A 80 3.495 -16.445 0.987 1.00 25.12 H new ATOM 0 HG LEU A 80 2.465 -17.935 3.387 1.00 71.40 H new ATOM 0 HD11 LEU A 80 4.274 -16.931 4.699 1.00 50.32 H new ATOM 0 HD12 LEU A 80 4.897 -18.071 3.482 1.00 50.32 H new ATOM 0 HD13 LEU A 80 5.012 -16.317 3.201 1.00 50.32 H new ATOM 0 HD21 LEU A 80 2.299 -15.628 4.266 1.00 51.14 H new ATOM 0 HD22 LEU A 80 3.008 -15.011 2.754 1.00 51.14 H new ATOM 0 HD23 LEU A 80 1.416 -15.805 2.731 1.00 51.14 H new ATOM 1184 N ALA A 81 1.992 -17.792 -1.632 1.00 45.13 N ATOM 1185 CA ALA A 81 1.680 -17.141 -2.891 1.00 65.53 C ATOM 1186 C ALA A 81 0.229 -17.400 -3.225 1.00 4.13 C ATOM 1187 O ALA A 81 -0.464 -16.525 -3.775 1.00 15.53 O ATOM 1188 CB ALA A 81 2.594 -17.589 -4.025 1.00 42.40 C ATOM 0 H ALA A 81 2.489 -18.679 -1.710 1.00 45.13 H new ATOM 0 HA ALA A 81 1.850 -16.070 -2.777 1.00 65.53 H new ATOM 0 HB1 ALA A 81 2.316 -17.071 -4.943 1.00 42.40 H new ATOM 0 HB2 ALA A 81 3.628 -17.353 -3.774 1.00 42.40 H new ATOM 0 HB3 ALA A 81 2.493 -18.664 -4.171 1.00 42.40 H new ATOM 1194 N ALA A 82 -0.249 -18.590 -2.869 1.00 50.22 N ATOM 1195 CA ALA A 82 -1.652 -18.910 -3.047 1.00 14.52 C ATOM 1196 C ALA A 82 -2.501 -18.065 -2.127 1.00 4.20 C ATOM 1197 O ALA A 82 -3.523 -17.545 -2.549 1.00 73.22 O ATOM 1198 CB ALA A 82 -1.948 -20.372 -2.829 1.00 74.44 C ATOM 0 H ALA A 82 0.312 -19.337 -2.460 1.00 50.22 H new ATOM 0 HA ALA A 82 -1.900 -18.686 -4.085 1.00 14.52 H new ATOM 0 HB1 ALA A 82 -3.013 -20.553 -2.975 1.00 74.44 H new ATOM 0 HB2 ALA A 82 -1.377 -20.969 -3.540 1.00 74.44 H new ATOM 0 HB3 ALA A 82 -1.668 -20.652 -1.813 1.00 74.44 H new ATOM 1204 N TRP A 83 -2.075 -17.916 -0.869 1.00 32.04 N ATOM 1205 CA TRP A 83 -2.781 -17.045 0.066 1.00 61.35 C ATOM 1206 C TRP A 83 -2.773 -15.629 -0.431 1.00 55.33 C ATOM 1207 O TRP A 83 -3.801 -15.000 -0.460 1.00 62.30 O ATOM 1208 CB TRP A 83 -2.229 -17.120 1.478 1.00 52.24 C ATOM 1209 CG TRP A 83 -2.587 -18.372 2.223 1.00 11.31 C ATOM 1210 CD1 TRP A 83 -3.191 -19.496 1.746 1.00 64.10 C ATOM 1211 CD2 TRP A 83 -2.365 -18.600 3.590 1.00 2.13 C ATOM 1212 NE1 TRP A 83 -3.326 -20.415 2.740 1.00 60.44 N ATOM 1213 CE2 TRP A 83 -2.836 -19.879 3.893 1.00 53.34 C ATOM 1214 CE3 TRP A 83 -1.807 -17.838 4.580 1.00 71.42 C ATOM 1215 CZ2 TRP A 83 -2.763 -20.406 5.164 1.00 73.30 C ATOM 1216 CZ3 TRP A 83 -1.725 -18.350 5.854 1.00 12.33 C ATOM 1217 CH2 TRP A 83 -2.204 -19.623 6.138 1.00 41.23 C ATOM 0 H TRP A 83 -1.255 -18.382 -0.481 1.00 32.04 H new ATOM 0 HA TRP A 83 -3.809 -17.404 0.116 1.00 61.35 H new ATOM 0 HB2 TRP A 83 -1.143 -17.037 1.434 1.00 52.24 H new ATOM 0 HB3 TRP A 83 -2.592 -16.261 2.042 1.00 52.24 H new ATOM 0 HD1 TRP A 83 -3.516 -19.637 0.726 1.00 64.10 H new ATOM 0 HE1 TRP A 83 -3.726 -21.348 2.639 1.00 60.44 H new ATOM 0 HE3 TRP A 83 -1.436 -16.847 4.364 1.00 71.42 H new ATOM 0 HZ2 TRP A 83 -3.132 -21.397 5.383 1.00 73.30 H new ATOM 0 HZ3 TRP A 83 -1.284 -17.757 6.641 1.00 12.33 H new ATOM 0 HH2 TRP A 83 -2.134 -20.002 7.147 1.00 41.23 H new ATOM 1228 N ASN A 84 -1.601 -15.155 -0.847 1.00 71.42 N ATOM 1229 CA ASN A 84 -1.445 -13.837 -1.513 1.00 52.01 C ATOM 1230 C ASN A 84 -2.520 -13.655 -2.601 1.00 24.11 C ATOM 1231 O ASN A 84 -3.216 -12.626 -2.655 1.00 3.43 O ATOM 1232 CB ASN A 84 -0.014 -13.734 -2.113 1.00 31.32 C ATOM 1233 CG ASN A 84 0.176 -12.635 -3.151 1.00 71.33 C ATOM 1234 OD1 ASN A 84 0.510 -11.511 -2.831 1.00 74.31 O ATOM 1235 ND2 ASN A 84 0.008 -12.977 -4.409 1.00 14.11 N ATOM 0 H ASN A 84 -0.724 -15.664 -0.738 1.00 71.42 H new ATOM 0 HA ASN A 84 -1.578 -13.039 -0.783 1.00 52.01 H new ATOM 0 HB2 ASN A 84 0.693 -13.570 -1.300 1.00 31.32 H new ATOM 0 HB3 ASN A 84 0.241 -14.691 -2.569 1.00 31.32 H new ATOM 0 HD21 ASN A 84 0.158 -12.291 -5.149 1.00 14.11 H new ATOM 0 HD22 ASN A 84 -0.273 -13.929 -4.646 1.00 14.11 H new ATOM 1242 N GLN A 85 -2.694 -14.689 -3.413 1.00 2.32 N ATOM 1243 CA GLN A 85 -3.702 -14.695 -4.454 1.00 72.05 C ATOM 1244 C GLN A 85 -5.110 -14.663 -3.829 1.00 62.54 C ATOM 1245 O GLN A 85 -5.921 -13.828 -4.177 1.00 40.32 O ATOM 1246 CB GLN A 85 -3.537 -15.939 -5.349 1.00 53.25 C ATOM 1247 CG GLN A 85 -4.499 -15.991 -6.533 1.00 20.20 C ATOM 1248 CD GLN A 85 -4.337 -14.803 -7.471 1.00 63.53 C ATOM 1249 OE1 GLN A 85 -3.260 -14.246 -7.609 1.00 41.55 O ATOM 1250 NE2 GLN A 85 -5.406 -14.408 -8.114 1.00 74.34 N ATOM 0 H GLN A 85 -2.139 -15.544 -3.365 1.00 2.32 H new ATOM 0 HA GLN A 85 -3.576 -13.806 -5.072 1.00 72.05 H new ATOM 0 HB2 GLN A 85 -2.514 -15.969 -5.725 1.00 53.25 H new ATOM 0 HB3 GLN A 85 -3.679 -16.832 -4.740 1.00 53.25 H new ATOM 0 HG2 GLN A 85 -4.335 -16.914 -7.090 1.00 20.20 H new ATOM 0 HG3 GLN A 85 -5.524 -16.020 -6.163 1.00 20.20 H new ATOM 0 HE21 GLN A 85 -6.292 -14.894 -7.977 1.00 74.34 H new ATOM 0 HE22 GLN A 85 -5.353 -13.614 -8.752 1.00 74.34 H new ATOM 1259 N LEU A 86 -5.355 -15.543 -2.868 1.00 4.25 N ATOM 1260 CA LEU A 86 -6.645 -15.661 -2.162 1.00 24.31 C ATOM 1261 C LEU A 86 -7.052 -14.361 -1.444 1.00 64.33 C ATOM 1262 O LEU A 86 -8.228 -14.104 -1.236 1.00 35.22 O ATOM 1263 CB LEU A 86 -6.576 -16.789 -1.120 1.00 32.25 C ATOM 1264 CG LEU A 86 -6.391 -18.218 -1.648 1.00 75.25 C ATOM 1265 CD1 LEU A 86 -6.134 -19.151 -0.504 1.00 12.41 C ATOM 1266 CD2 LEU A 86 -7.625 -18.693 -2.375 1.00 41.41 C ATOM 0 H LEU A 86 -4.657 -16.212 -2.544 1.00 4.25 H new ATOM 0 HA LEU A 86 -7.394 -15.879 -2.923 1.00 24.31 H new ATOM 0 HB2 LEU A 86 -5.753 -16.571 -0.439 1.00 32.25 H new ATOM 0 HB3 LEU A 86 -7.493 -16.762 -0.531 1.00 32.25 H new ATOM 0 HG LEU A 86 -5.547 -18.211 -2.337 1.00 75.25 H new ATOM 0 HD11 LEU A 86 -6.003 -20.164 -0.883 1.00 12.41 H new ATOM 0 HD12 LEU A 86 -5.231 -18.841 0.022 1.00 12.41 H new ATOM 0 HD13 LEU A 86 -6.980 -19.127 0.182 1.00 12.41 H new ATOM 0 HD21 LEU A 86 -7.465 -19.708 -2.738 1.00 41.41 H new ATOM 0 HD22 LEU A 86 -8.476 -18.681 -1.694 1.00 41.41 H new ATOM 0 HD23 LEU A 86 -7.827 -18.033 -3.219 1.00 41.41 H new ATOM 1278 N MET A 87 -6.081 -13.555 -1.101 1.00 65.51 N ATOM 1279 CA MET A 87 -6.294 -12.351 -0.319 1.00 13.10 C ATOM 1280 C MET A 87 -6.726 -11.242 -1.209 1.00 54.41 C ATOM 1281 O MET A 87 -7.725 -10.542 -0.963 1.00 63.12 O ATOM 1282 CB MET A 87 -5.001 -11.974 0.396 1.00 24.30 C ATOM 1283 CG MET A 87 -4.631 -12.922 1.520 1.00 33.25 C ATOM 1284 SD MET A 87 -2.980 -12.635 2.159 1.00 62.31 S ATOM 1285 CE MET A 87 -3.146 -10.962 2.724 1.00 12.03 C ATOM 0 H MET A 87 -5.106 -13.712 -1.357 1.00 65.51 H new ATOM 0 HA MET A 87 -7.073 -12.532 0.421 1.00 13.10 H new ATOM 0 HB2 MET A 87 -4.188 -11.949 -0.330 1.00 24.30 H new ATOM 0 HB3 MET A 87 -5.099 -10.966 0.799 1.00 24.30 H new ATOM 0 HG2 MET A 87 -5.352 -12.816 2.330 1.00 33.25 H new ATOM 0 HG3 MET A 87 -4.703 -13.949 1.161 1.00 33.25 H new ATOM 0 HE1 MET A 87 -2.551 -10.303 2.091 1.00 12.03 H new ATOM 0 HE2 MET A 87 -4.193 -10.664 2.675 1.00 12.03 H new ATOM 0 HE3 MET A 87 -2.795 -10.889 3.753 1.00 12.03 H new ATOM 1295 N LEU A 88 -5.998 -11.107 -2.260 1.00 64.33 N ATOM 1296 CA LEU A 88 -6.211 -10.107 -3.197 1.00 71.54 C ATOM 1297 C LEU A 88 -7.388 -10.437 -4.117 1.00 3.20 C ATOM 1298 O LEU A 88 -8.245 -9.614 -4.307 1.00 43.14 O ATOM 1299 CB LEU A 88 -4.915 -9.899 -3.960 1.00 41.20 C ATOM 1300 CG LEU A 88 -5.060 -9.323 -5.322 1.00 32.10 C ATOM 1301 CD1 LEU A 88 -5.630 -7.895 -5.284 1.00 0.24 C ATOM 1302 CD2 LEU A 88 -3.769 -9.378 -6.089 1.00 15.45 C ATOM 0 H LEU A 88 -5.214 -11.721 -2.482 1.00 64.33 H new ATOM 0 HA LEU A 88 -6.487 -9.178 -2.699 1.00 71.54 H new ATOM 0 HB2 LEU A 88 -4.270 -9.244 -3.374 1.00 41.20 H new ATOM 0 HB3 LEU A 88 -4.404 -10.858 -4.043 1.00 41.20 H new ATOM 0 HG LEU A 88 -5.782 -9.944 -5.853 1.00 32.10 H new ATOM 0 HD11 LEU A 88 -5.720 -7.512 -6.300 1.00 0.24 H new ATOM 0 HD12 LEU A 88 -6.613 -7.908 -4.813 1.00 0.24 H new ATOM 0 HD13 LEU A 88 -4.962 -7.252 -4.711 1.00 0.24 H new ATOM 0 HD21 LEU A 88 -3.916 -8.948 -7.080 1.00 15.45 H new ATOM 0 HD22 LEU A 88 -3.005 -8.811 -5.557 1.00 15.45 H new ATOM 0 HD23 LEU A 88 -3.448 -10.415 -6.188 1.00 15.45 H new ATOM 1314 N SER A 89 -7.458 -11.657 -4.606 1.00 43.11 N ATOM 1315 CA SER A 89 -8.468 -12.039 -5.593 1.00 42.41 C ATOM 1316 C SER A 89 -9.895 -12.075 -5.007 1.00 51.42 C ATOM 1317 O SER A 89 -10.864 -12.229 -5.743 1.00 73.31 O ATOM 1318 CB SER A 89 -8.099 -13.389 -6.240 1.00 13.55 C ATOM 1319 OG SER A 89 -8.980 -13.746 -7.290 1.00 71.15 O ATOM 0 H SER A 89 -6.826 -12.412 -4.339 1.00 43.11 H new ATOM 0 HA SER A 89 -8.474 -11.266 -6.362 1.00 42.41 H new ATOM 0 HB2 SER A 89 -7.081 -13.337 -6.626 1.00 13.55 H new ATOM 0 HB3 SER A 89 -8.112 -14.169 -5.478 1.00 13.55 H new ATOM 0 HG SER A 89 -9.863 -13.354 -7.124 1.00 71.15 H new