USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 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 33 TYR OH : rot 83:sc= 0.743 USER MOD Set 1.2: A 86 SER OG : rot -128:sc= 1.53! USER MOD Set 2.1: A 84 TYR OH : rot 180:sc= 0.397 USER MOD Set 2.2: A 101 TYR OH : rot -68:sc= 0.922 USER MOD Set 3.1: A 51 HIS : no HE2:sc= -4.16 X(o=-10,f=-11!) USER MOD Set 3.2: A 53 GLN : amide:sc= -3.56 K(o=-10,f=-15) USER MOD Set 3.3: A 100 HIS : no HD1:sc= -2.75 K(o=-10,f=-11!) USER MOD Set 4.1: A 7 TYR OH : rot 165:sc= 0.746 USER MOD Set 4.2: A 109 THR OG1 : rot 165:sc= 0.849 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 22 SER OG : rot 6:sc= -0.642 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -98:sc= 1.05 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 39 ASN : amide:sc= 0.0178 K(o=0.018,f=-8.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.69! USER MOD Single : A 58 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.21) USER MOD Single : A 61 THR OG1 : rot 30:sc= 0.0945 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.303 K(o=-0.3,f=-1.3) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -133:sc= 0.149 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 97 MET CE :methyl -146:sc= -2.02! (180deg=-3.71!) USER MOD Single : A 98 GLN : amide:sc= -1.43! C(o=-1.4!,f=-3.1!) USER MOD Single : A 103 MET CE :methyl 170:sc= -1.07 (180deg=-1.28!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 6 55.585 86.695 81.832 1.00 0.00 N ATOM 2 CA ARG A 6 54.309 86.993 82.546 1.00 0.00 C ATOM 3 C ARG A 6 54.017 88.500 82.526 1.00 0.00 C ATOM 4 O ARG A 6 52.888 88.918 82.724 1.00 0.00 O ATOM 5 CB ARG A 6 54.532 86.508 83.979 1.00 0.00 C ATOM 6 CG ARG A 6 54.588 84.980 83.999 1.00 0.00 C ATOM 7 CD ARG A 6 54.812 84.496 85.436 1.00 0.00 C ATOM 8 NE ARG A 6 54.852 83.007 85.348 1.00 0.00 N ATOM 9 CZ ARG A 6 55.000 82.295 86.431 1.00 0.00 C ATOM 10 NH1 ARG A 6 56.102 82.385 87.124 1.00 0.00 N ATOM 11 NH2 ARG A 6 54.048 81.493 86.821 1.00 0.00 N ATOM 0 HA ARG A 6 53.455 86.504 82.077 1.00 0.00 H new ATOM 0 HB2 ARG A 6 55.460 86.921 84.374 1.00 0.00 H new ATOM 0 HB3 ARG A 6 53.727 86.861 84.623 1.00 0.00 H new ATOM 0 HG2 ARG A 6 53.660 84.566 83.605 1.00 0.00 H new ATOM 0 HG3 ARG A 6 55.393 84.626 83.355 1.00 0.00 H new ATOM 0 HD2 ARG A 6 55.743 84.891 85.844 1.00 0.00 H new ATOM 0 HD3 ARG A 6 54.009 84.830 86.093 1.00 0.00 H new ATOM 0 HE ARG A 6 54.764 82.546 84.442 1.00 0.00 H new ATOM 0 HH11 ARG A 6 56.847 83.012 86.819 1.00 0.00 H new ATOM 0 HH12 ARG A 6 56.219 81.829 87.971 1.00 0.00 H new ATOM 0 HH21 ARG A 6 53.187 81.422 86.279 1.00 0.00 H new ATOM 0 HH22 ARG A 6 54.165 80.937 87.668 1.00 0.00 H new ATOM 25 N TYR A 7 55.018 89.316 82.290 1.00 31.93 N ATOM 26 CA TYR A 7 54.795 90.793 82.258 1.00 29.59 C ATOM 27 C TYR A 7 55.134 91.353 80.872 1.00 29.68 C ATOM 28 O TYR A 7 56.286 91.434 80.488 1.00 30.50 O ATOM 29 CB TYR A 7 55.744 91.368 83.313 1.00 27.35 C ATOM 30 CG TYR A 7 55.413 90.790 84.670 1.00 25.69 C ATOM 31 CD1 TYR A 7 54.108 90.881 85.172 1.00 23.78 C ATOM 32 CD2 TYR A 7 56.410 90.163 85.426 1.00 23.48 C ATOM 33 CE1 TYR A 7 53.802 90.344 86.428 1.00 22.01 C ATOM 34 CE2 TYR A 7 56.104 89.626 86.683 1.00 22.47 C ATOM 35 CZ TYR A 7 54.800 89.717 87.183 1.00 22.87 C ATOM 36 OH TYR A 7 54.498 89.189 88.421 1.00 25.71 O ATOM 0 H TYR A 7 55.979 89.020 82.118 1.00 31.93 H new ATOM 0 HA TYR A 7 53.756 91.053 82.461 1.00 29.59 H new ATOM 0 HB2 TYR A 7 56.776 91.137 83.051 1.00 27.35 H new ATOM 0 HB3 TYR A 7 55.658 92.454 83.339 1.00 27.35 H new ATOM 0 HD1 TYR A 7 53.338 91.366 84.590 1.00 23.78 H new ATOM 0 HD2 TYR A 7 57.416 90.093 85.040 1.00 23.48 H new ATOM 0 HE1 TYR A 7 52.796 90.413 86.814 1.00 22.01 H new ATOM 0 HE2 TYR A 7 56.874 89.142 87.266 1.00 22.47 H new ATOM 0 HH TYR A 7 55.219 88.590 88.706 1.00 25.71 H new ATOM 46 N ARG A 8 54.134 91.738 80.124 1.00 0.00 N ATOM 47 CA ARG A 8 54.370 92.297 78.757 1.00 0.00 C ATOM 48 C ARG A 8 53.259 93.285 78.394 1.00 0.00 C ATOM 49 O ARG A 8 52.087 93.009 78.559 1.00 0.00 O ATOM 50 CB ARG A 8 54.347 91.089 77.821 1.00 0.00 C ATOM 51 CG ARG A 8 55.638 90.285 77.990 1.00 0.00 C ATOM 52 CD ARG A 8 55.711 89.199 76.914 1.00 0.00 C ATOM 53 NE ARG A 8 54.654 88.217 77.287 1.00 0.00 N ATOM 54 CZ ARG A 8 54.870 86.939 77.140 1.00 0.00 C ATOM 55 NH1 ARG A 8 54.852 86.407 75.947 1.00 0.00 N ATOM 56 NH2 ARG A 8 55.106 86.192 78.184 1.00 0.00 N ATOM 0 H ARG A 8 53.154 91.689 80.403 1.00 0.00 H new ATOM 0 HA ARG A 8 55.312 92.841 78.689 1.00 0.00 H new ATOM 0 HB2 ARG A 8 53.484 90.461 78.042 1.00 0.00 H new ATOM 0 HB3 ARG A 8 54.245 91.419 76.787 1.00 0.00 H new ATOM 0 HG2 ARG A 8 56.502 90.945 77.914 1.00 0.00 H new ATOM 0 HG3 ARG A 8 55.669 89.832 78.981 1.00 0.00 H new ATOM 0 HD2 ARG A 8 55.533 89.613 75.922 1.00 0.00 H new ATOM 0 HD3 ARG A 8 56.695 88.731 76.892 1.00 0.00 H new ATOM 0 HE ARG A 8 53.762 88.544 77.657 1.00 0.00 H new ATOM 0 HH11 ARG A 8 54.669 86.991 75.131 1.00 0.00 H new ATOM 0 HH12 ARG A 8 55.021 85.408 75.832 1.00 0.00 H new ATOM 0 HH21 ARG A 8 55.122 86.608 79.115 1.00 0.00 H new ATOM 0 HH22 ARG A 8 55.275 85.193 78.068 1.00 0.00 H new ATOM 70 N VAL A 9 53.628 94.442 77.903 1.00 0.00 N ATOM 71 CA VAL A 9 52.614 95.475 77.522 1.00 0.00 C ATOM 72 C VAL A 9 53.174 96.353 76.395 1.00 0.00 C ATOM 73 O VAL A 9 54.119 97.094 76.577 1.00 0.00 O ATOM 74 CB VAL A 9 52.380 96.308 78.790 1.00 0.00 C ATOM 75 CG1 VAL A 9 51.345 97.404 78.511 1.00 0.00 C ATOM 76 CG2 VAL A 9 51.859 95.406 79.914 1.00 0.00 C ATOM 0 H VAL A 9 54.598 94.718 77.748 1.00 0.00 H new ATOM 0 HA VAL A 9 51.686 95.032 77.161 1.00 0.00 H new ATOM 0 HB VAL A 9 53.324 96.763 79.090 1.00 0.00 H new ATOM 0 HG11 VAL A 9 51.184 97.991 79.415 1.00 0.00 H new ATOM 0 HG12 VAL A 9 51.709 98.055 77.716 1.00 0.00 H new ATOM 0 HG13 VAL A 9 50.405 96.947 78.203 1.00 0.00 H new ATOM 0 HG21 VAL A 9 51.694 96.002 80.812 1.00 0.00 H new ATOM 0 HG22 VAL A 9 50.920 94.947 79.606 1.00 0.00 H new ATOM 0 HG23 VAL A 9 52.592 94.627 80.125 1.00 0.00 H new ATOM 86 N GLU A 10 52.573 96.281 75.237 1.00 0.00 N ATOM 87 CA GLU A 10 53.015 97.107 74.074 1.00 0.00 C ATOM 88 C GLU A 10 52.013 98.235 73.814 1.00 0.00 C ATOM 89 O GLU A 10 50.819 98.021 73.733 1.00 0.00 O ATOM 90 CB GLU A 10 53.039 96.138 72.892 1.00 0.00 C ATOM 91 CG GLU A 10 54.205 95.160 73.054 1.00 0.00 C ATOM 92 CD GLU A 10 55.528 95.920 72.954 1.00 0.00 C ATOM 93 OE1 GLU A 10 55.766 96.524 71.921 1.00 0.00 O ATOM 94 OE2 GLU A 10 56.284 95.885 73.912 1.00 0.00 O ATOM 0 H GLU A 10 51.778 95.672 75.044 1.00 0.00 H new ATOM 0 HA GLU A 10 53.985 97.574 74.244 1.00 0.00 H new ATOM 0 HB2 GLU A 10 52.098 95.591 72.838 1.00 0.00 H new ATOM 0 HB3 GLU A 10 53.141 96.690 71.958 1.00 0.00 H new ATOM 0 HG2 GLU A 10 54.137 94.653 74.017 1.00 0.00 H new ATOM 0 HG3 GLU A 10 54.157 94.390 72.284 1.00 0.00 H new ATOM 101 N VAL A 11 52.511 99.437 73.685 1.00 26.88 N ATOM 102 CA VAL A 11 51.624 100.611 73.428 1.00 26.83 C ATOM 103 C VAL A 11 51.976 101.234 72.072 1.00 27.58 C ATOM 104 O VAL A 11 53.134 101.348 71.717 1.00 28.21 O ATOM 105 CB VAL A 11 51.915 101.592 74.569 1.00 26.28 C ATOM 106 CG1 VAL A 11 51.052 102.845 74.405 1.00 26.50 C ATOM 107 CG2 VAL A 11 51.588 100.929 75.911 1.00 25.75 C ATOM 0 H VAL A 11 53.505 99.658 73.747 1.00 26.88 H new ATOM 0 HA VAL A 11 50.569 100.340 73.395 1.00 26.83 H new ATOM 0 HB VAL A 11 52.969 101.869 74.543 1.00 26.28 H new ATOM 0 HG11 VAL A 11 51.262 103.540 75.218 1.00 26.50 H new ATOM 0 HG12 VAL A 11 51.280 103.322 73.452 1.00 26.50 H new ATOM 0 HG13 VAL A 11 49.998 102.567 74.428 1.00 26.50 H new ATOM 0 HG21 VAL A 11 51.795 101.627 76.722 1.00 25.75 H new ATOM 0 HG22 VAL A 11 50.534 100.651 75.932 1.00 25.75 H new ATOM 0 HG23 VAL A 11 52.201 100.037 76.035 1.00 25.75 H new ATOM 117 N GLU A 12 50.987 101.633 71.311 1.00 0.00 N ATOM 118 CA GLU A 12 51.257 102.246 69.976 1.00 0.00 C ATOM 119 C GLU A 12 50.668 103.659 69.914 1.00 0.00 C ATOM 120 O GLU A 12 49.575 103.909 70.385 1.00 0.00 O ATOM 121 CB GLU A 12 50.552 101.331 68.975 1.00 0.00 C ATOM 122 CG GLU A 12 51.279 99.986 68.912 1.00 0.00 C ATOM 123 CD GLU A 12 52.675 100.186 68.321 1.00 0.00 C ATOM 124 OE1 GLU A 12 52.759 100.644 67.193 1.00 0.00 O ATOM 125 OE2 GLU A 12 53.636 99.879 69.005 1.00 0.00 O ATOM 0 H GLU A 12 50.000 101.560 71.559 1.00 0.00 H new ATOM 0 HA GLU A 12 52.324 102.336 69.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 49.514 101.182 69.272 1.00 0.00 H new ATOM 0 HB3 GLU A 12 50.538 101.795 67.989 1.00 0.00 H new ATOM 0 HG2 GLU A 12 51.354 99.554 69.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 50.712 99.283 68.302 1.00 0.00 H new ATOM 132 N VAL A 13 51.395 104.583 69.340 1.00 26.55 N ATOM 133 CA VAL A 13 50.902 105.990 69.242 1.00 26.45 C ATOM 134 C VAL A 13 51.000 106.492 67.798 1.00 27.95 C ATOM 135 O VAL A 13 51.990 106.284 67.122 1.00 27.94 O ATOM 136 CB VAL A 13 51.821 106.800 70.164 1.00 25.67 C ATOM 137 CG1 VAL A 13 51.406 108.272 70.146 1.00 24.91 C ATOM 138 CG2 VAL A 13 51.715 106.262 71.595 1.00 26.97 C ATOM 0 H VAL A 13 52.316 104.422 68.932 1.00 26.55 H new ATOM 0 HA VAL A 13 49.855 106.080 69.532 1.00 26.45 H new ATOM 0 HB VAL A 13 52.849 106.709 69.813 1.00 25.67 H new ATOM 0 HG11 VAL A 13 52.062 108.843 70.803 1.00 24.91 H new ATOM 0 HG12 VAL A 13 51.483 108.659 69.130 1.00 24.91 H new ATOM 0 HG13 VAL A 13 50.377 108.364 70.492 1.00 24.91 H new ATOM 0 HG21 VAL A 13 52.369 106.838 72.250 1.00 26.97 H new ATOM 0 HG22 VAL A 13 50.685 106.350 71.941 1.00 26.97 H new ATOM 0 HG23 VAL A 13 52.016 105.214 71.613 1.00 26.97 H new ATOM 148 N SER A 14 49.969 107.154 67.326 1.00 0.00 N ATOM 149 CA SER A 14 49.983 107.677 65.927 1.00 0.00 C ATOM 150 C SER A 14 49.665 109.185 65.912 1.00 0.00 C ATOM 151 O SER A 14 48.527 109.575 66.095 1.00 0.00 O ATOM 152 CB SER A 14 48.896 106.890 65.197 1.00 0.00 C ATOM 153 OG SER A 14 48.833 107.322 63.844 1.00 0.00 O ATOM 0 H SER A 14 49.118 107.353 67.852 1.00 0.00 H new ATOM 0 HA SER A 14 50.958 107.558 65.455 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.112 105.823 65.240 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.933 107.040 65.684 1.00 0.00 H new ATOM 0 HG SER A 14 48.138 106.818 63.372 1.00 0.00 H new ATOM 159 N PRO A 15 50.685 109.983 65.690 1.00 28.75 N ATOM 160 CA PRO A 15 50.460 111.460 65.654 1.00 30.20 C ATOM 161 C PRO A 15 49.958 111.910 64.276 1.00 33.00 C ATOM 162 O PRO A 15 50.039 111.190 63.300 1.00 32.76 O ATOM 163 CB PRO A 15 51.836 112.053 65.938 1.00 29.34 C ATOM 164 CG PRO A 15 52.803 111.004 65.509 1.00 29.59 C ATOM 165 CD PRO A 15 52.128 109.675 65.711 1.00 28.91 C ATOM 0 HA PRO A 15 49.704 111.779 66.371 1.00 30.20 H new ATOM 0 HB2 PRO A 15 51.988 112.980 65.385 1.00 29.34 H new ATOM 0 HB3 PRO A 15 51.953 112.290 66.996 1.00 29.34 H new ATOM 0 HG2 PRO A 15 53.081 111.140 64.464 1.00 29.59 H new ATOM 0 HG3 PRO A 15 53.721 111.063 66.094 1.00 29.59 H new ATOM 0 HD2 PRO A 15 52.395 108.971 64.923 1.00 28.91 H new ATOM 0 HD3 PRO A 15 52.423 109.221 66.657 1.00 28.91 H new ATOM 173 N ARG A 16 49.437 113.111 64.209 1.00 34.77 N ATOM 174 CA ARG A 16 48.911 113.657 62.918 1.00 37.64 C ATOM 175 C ARG A 16 48.883 115.190 62.978 1.00 38.99 C ATOM 176 O ARG A 16 48.425 115.782 63.938 1.00 38.96 O ATOM 177 CB ARG A 16 47.495 113.086 62.770 1.00 40.22 C ATOM 178 CG ARG A 16 46.640 113.479 63.977 1.00 43.41 C ATOM 179 CD ARG A 16 45.242 112.873 63.831 1.00 47.90 C ATOM 180 NE ARG A 16 44.487 113.845 62.993 1.00 51.85 N ATOM 181 CZ ARG A 16 43.221 114.063 63.226 1.00 53.88 C ATOM 182 NH1 ARG A 16 42.856 114.685 64.313 1.00 53.27 N ATOM 183 NH2 ARG A 16 42.322 113.657 62.372 1.00 54.10 N ATOM 0 H ARG A 16 49.353 113.744 65.004 1.00 34.77 H new ATOM 0 HA ARG A 16 49.534 113.380 62.068 1.00 37.64 H new ATOM 0 HB2 ARG A 16 47.038 113.460 61.854 1.00 40.22 H new ATOM 0 HB3 ARG A 16 47.540 112.000 62.684 1.00 40.22 H new ATOM 0 HG2 ARG A 16 47.107 113.126 64.897 1.00 43.41 H new ATOM 0 HG3 ARG A 16 46.572 114.564 64.050 1.00 43.41 H new ATOM 0 HD2 ARG A 16 45.284 111.892 63.357 1.00 47.90 H new ATOM 0 HD3 ARG A 16 44.767 112.737 64.803 1.00 47.90 H new ATOM 0 HE ARG A 16 44.959 114.341 62.237 1.00 51.85 H new ATOM 0 HH11 ARG A 16 43.560 115.001 64.981 1.00 53.27 H new ATOM 0 HH12 ARG A 16 41.867 114.856 64.495 1.00 53.27 H new ATOM 0 HH21 ARG A 16 42.608 113.170 61.523 1.00 54.10 H new ATOM 0 HH22 ARG A 16 41.333 113.827 62.553 1.00 54.10 H new ATOM 197 N PHE A 17 49.400 115.829 61.960 1.00 0.00 N ATOM 198 CA PHE A 17 49.446 117.328 61.933 1.00 0.00 C ATOM 199 C PHE A 17 48.037 117.940 61.962 1.00 0.00 C ATOM 200 O PHE A 17 47.133 117.475 61.296 1.00 0.00 O ATOM 201 CB PHE A 17 50.144 117.672 60.613 1.00 0.00 C ATOM 202 CG PHE A 17 50.339 119.168 60.512 1.00 0.00 C ATOM 203 CD1 PHE A 17 51.332 119.796 61.274 1.00 0.00 C ATOM 204 CD2 PHE A 17 49.529 119.924 59.656 1.00 0.00 C ATOM 205 CE1 PHE A 17 51.515 121.181 61.180 1.00 0.00 C ATOM 206 CE2 PHE A 17 49.712 121.309 59.563 1.00 0.00 C ATOM 207 CZ PHE A 17 50.706 121.937 60.325 1.00 0.00 C ATOM 0 H PHE A 17 49.797 115.375 61.137 1.00 0.00 H new ATOM 0 HA PHE A 17 49.966 117.726 62.804 1.00 0.00 H new ATOM 0 HB2 PHE A 17 51.108 117.166 60.558 1.00 0.00 H new ATOM 0 HB3 PHE A 17 49.548 117.316 59.772 1.00 0.00 H new ATOM 0 HD1 PHE A 17 51.956 119.212 61.934 1.00 0.00 H new ATOM 0 HD2 PHE A 17 48.764 119.439 59.068 1.00 0.00 H new ATOM 0 HE1 PHE A 17 52.281 121.666 61.768 1.00 0.00 H new ATOM 0 HE2 PHE A 17 49.087 121.893 58.904 1.00 0.00 H new ATOM 0 HZ PHE A 17 50.848 123.005 60.252 1.00 0.00 H new ATOM 217 N LEU A 18 47.860 118.993 62.722 1.00 0.00 N ATOM 218 CA LEU A 18 46.523 119.665 62.796 1.00 0.00 C ATOM 219 C LEU A 18 46.618 121.097 62.258 1.00 0.00 C ATOM 220 O LEU A 18 46.740 122.055 62.995 1.00 0.00 O ATOM 221 CB LEU A 18 46.133 119.666 64.275 1.00 0.00 C ATOM 222 CG LEU A 18 45.822 118.240 64.730 1.00 0.00 C ATOM 223 CD1 LEU A 18 45.557 118.234 66.237 1.00 0.00 C ATOM 224 CD2 LEU A 18 44.580 117.729 63.993 1.00 0.00 C ATOM 0 H LEU A 18 48.587 119.419 63.297 1.00 0.00 H new ATOM 0 HA LEU A 18 45.778 119.147 62.192 1.00 0.00 H new ATOM 0 HB2 LEU A 18 46.944 120.080 64.874 1.00 0.00 H new ATOM 0 HB3 LEU A 18 45.264 120.305 64.431 1.00 0.00 H new ATOM 0 HG LEU A 18 46.670 117.593 64.506 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.335 117.218 66.563 1.00 0.00 H new ATOM 0 HD12 LEU A 18 46.439 118.600 66.763 1.00 0.00 H new ATOM 0 HD13 LEU A 18 44.708 118.880 66.460 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.357 116.712 64.317 1.00 0.00 H new ATOM 0 HD22 LEU A 18 43.732 118.375 64.218 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.766 117.735 62.919 1.00 0.00 H new ATOM 236 N ALA A 19 46.537 121.229 60.961 1.00 0.00 N ATOM 237 CA ALA A 19 46.594 122.575 60.305 1.00 0.00 C ATOM 238 C ALA A 19 45.345 123.403 60.624 1.00 0.00 C ATOM 239 O ALA A 19 45.417 124.611 60.757 1.00 0.00 O ATOM 240 CB ALA A 19 46.624 122.266 58.805 1.00 0.00 C ATOM 0 H ALA A 19 46.432 120.448 60.314 1.00 0.00 H new ATOM 0 HA ALA A 19 47.453 123.152 60.648 1.00 0.00 H new ATOM 0 HB1 ALA A 19 46.666 123.199 58.242 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.503 121.663 58.575 1.00 0.00 H new ATOM 0 HB3 ALA A 19 45.724 121.716 58.529 1.00 0.00 H new ATOM 246 N HIS A 20 44.201 122.774 60.727 1.00 0.00 N ATOM 247 CA HIS A 20 42.948 123.542 61.013 1.00 0.00 C ATOM 248 C HIS A 20 42.951 124.088 62.445 1.00 0.00 C ATOM 249 O HIS A 20 42.274 125.055 62.744 1.00 0.00 O ATOM 250 CB HIS A 20 41.804 122.547 60.814 1.00 0.00 C ATOM 251 CG HIS A 20 40.490 123.279 60.839 1.00 0.00 C ATOM 252 ND1 HIS A 20 40.175 124.263 59.915 1.00 0.00 N ATOM 253 CD2 HIS A 20 39.403 123.183 61.671 1.00 0.00 C ATOM 254 CE1 HIS A 20 38.943 124.716 60.210 1.00 0.00 C ATOM 255 NE2 HIS A 20 38.427 124.091 61.272 1.00 0.00 N ATOM 0 H HIS A 20 44.079 121.766 60.626 1.00 0.00 H new ATOM 0 HA HIS A 20 42.851 124.407 60.356 1.00 0.00 H new ATOM 0 HB2 HIS A 20 41.923 122.025 59.865 1.00 0.00 H new ATOM 0 HB3 HIS A 20 41.826 121.791 61.598 1.00 0.00 H new ATOM 0 HD2 HIS A 20 39.318 122.506 62.508 1.00 0.00 H new ATOM 0 HE1 HIS A 20 38.433 125.490 59.656 1.00 0.00 H new ATOM 0 HE2 HIS A 20 37.514 124.246 61.699 1.00 0.00 H new ATOM 263 N GLN A 21 43.697 123.481 63.332 1.00 51.13 N ATOM 264 CA GLN A 21 43.729 123.971 64.745 1.00 51.59 C ATOM 265 C GLN A 21 45.158 124.339 65.159 1.00 51.55 C ATOM 266 O GLN A 21 45.594 124.021 66.249 1.00 51.24 O ATOM 267 CB GLN A 21 43.216 122.797 65.581 1.00 52.27 C ATOM 268 CG GLN A 21 42.858 123.286 66.985 1.00 52.27 C ATOM 269 CD GLN A 21 42.305 122.121 67.807 1.00 52.27 C ATOM 270 OE1 GLN A 21 42.859 121.040 67.798 1.00 52.37 O ATOM 271 NE2 GLN A 21 41.227 122.296 68.522 1.00 51.79 N ATOM 0 H GLN A 21 44.284 122.669 63.141 1.00 51.13 H new ATOM 0 HA GLN A 21 43.125 124.868 64.879 1.00 51.59 H new ATOM 0 HB2 GLN A 21 42.341 122.353 65.105 1.00 52.27 H new ATOM 0 HB3 GLN A 21 43.977 122.019 65.639 1.00 52.27 H new ATOM 0 HG2 GLN A 21 43.740 123.702 67.472 1.00 52.27 H new ATOM 0 HG3 GLN A 21 42.120 124.086 66.926 1.00 52.27 H new ATOM 0 HE21 GLN A 21 40.762 123.204 68.530 1.00 51.79 H new ATOM 0 HE22 GLN A 21 40.850 121.525 69.073 1.00 51.79 H new ATOM 280 N SER A 22 45.889 125.007 64.299 1.00 52.26 N ATOM 281 CA SER A 22 47.291 125.393 64.651 1.00 52.76 C ATOM 282 C SER A 22 47.801 126.501 63.725 1.00 51.68 C ATOM 283 O SER A 22 47.500 126.525 62.547 1.00 52.15 O ATOM 284 CB SER A 22 48.108 124.120 64.452 1.00 53.63 C ATOM 285 OG SER A 22 49.458 124.374 64.809 1.00 55.19 O ATOM 0 H SER A 22 45.577 125.300 63.373 1.00 52.26 H new ATOM 0 HA SER A 22 47.363 125.779 65.668 1.00 52.76 H new ATOM 0 HB2 SER A 22 47.703 123.314 65.063 1.00 53.63 H new ATOM 0 HB3 SER A 22 48.049 123.794 63.414 1.00 53.63 H new ATOM 0 HG SER A 22 49.533 125.276 65.185 1.00 55.19 H new ATOM 291 N THR A 23 48.587 127.411 64.249 1.00 0.00 N ATOM 292 CA THR A 23 49.140 128.513 63.405 1.00 0.00 C ATOM 293 C THR A 23 50.671 128.392 63.359 1.00 0.00 C ATOM 294 O THR A 23 51.353 128.898 64.228 1.00 0.00 O ATOM 295 CB THR A 23 48.720 129.804 64.108 1.00 0.00 C ATOM 296 OG1 THR A 23 47.305 129.839 64.224 1.00 0.00 O ATOM 297 CG2 THR A 23 49.198 131.009 63.297 1.00 0.00 C ATOM 0 H THR A 23 48.869 127.436 65.229 1.00 0.00 H new ATOM 0 HA THR A 23 48.777 128.484 62.378 1.00 0.00 H new ATOM 0 HB THR A 23 49.167 129.839 65.101 1.00 0.00 H new ATOM 0 HG1 THR A 23 47.034 130.665 64.676 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.898 131.928 63.800 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.284 130.981 63.210 1.00 0.00 H new ATOM 0 HG23 THR A 23 48.753 130.978 62.302 1.00 0.00 H new ATOM 305 N PRO A 24 51.158 127.702 62.354 1.00 49.88 N ATOM 306 CA PRO A 24 52.635 127.517 62.259 1.00 51.02 C ATOM 307 C PRO A 24 53.354 128.847 62.003 1.00 51.50 C ATOM 308 O PRO A 24 54.520 128.996 62.323 1.00 51.57 O ATOM 309 CB PRO A 24 52.814 126.580 61.067 1.00 51.23 C ATOM 310 CG PRO A 24 51.600 126.787 60.229 1.00 51.05 C ATOM 311 CD PRO A 24 50.481 127.140 61.169 1.00 49.44 C ATOM 0 HA PRO A 24 53.057 127.122 63.183 1.00 51.02 H new ATOM 0 HB2 PRO A 24 53.722 126.816 60.512 1.00 51.23 H new ATOM 0 HB3 PRO A 24 52.899 125.542 61.390 1.00 51.23 H new ATOM 0 HG2 PRO A 24 51.762 127.584 59.503 1.00 51.05 H new ATOM 0 HG3 PRO A 24 51.361 125.886 59.664 1.00 51.05 H new ATOM 0 HD2 PRO A 24 49.799 127.863 60.721 1.00 49.44 H new ATOM 0 HD3 PRO A 24 49.889 126.262 61.429 1.00 49.44 H new ATOM 319 N ASP A 25 52.682 129.805 61.419 1.00 0.00 N ATOM 320 CA ASP A 25 53.343 131.118 61.131 1.00 0.00 C ATOM 321 C ASP A 25 53.646 131.878 62.428 1.00 0.00 C ATOM 322 O ASP A 25 54.513 132.732 62.459 1.00 0.00 O ATOM 323 CB ASP A 25 52.355 131.894 60.257 1.00 0.00 C ATOM 324 CG ASP A 25 52.274 131.248 58.872 1.00 0.00 C ATOM 325 OD1 ASP A 25 53.283 130.727 58.421 1.00 0.00 O ATOM 326 OD2 ASP A 25 51.206 131.284 58.285 1.00 0.00 O ATOM 0 H ASP A 25 51.706 129.738 61.129 1.00 0.00 H new ATOM 0 HA ASP A 25 54.301 130.982 60.628 1.00 0.00 H new ATOM 0 HB2 ASP A 25 51.370 131.901 60.724 1.00 0.00 H new ATOM 0 HB3 ASP A 25 52.673 132.933 60.166 1.00 0.00 H new ATOM 331 N GLU A 26 52.942 131.586 63.493 1.00 0.00 N ATOM 332 CA GLU A 26 53.197 132.307 64.780 1.00 0.00 C ATOM 333 C GLU A 26 53.955 131.411 65.769 1.00 0.00 C ATOM 334 O GLU A 26 53.903 131.619 66.967 1.00 0.00 O ATOM 335 CB GLU A 26 51.809 132.645 65.324 1.00 0.00 C ATOM 336 CG GLU A 26 51.164 133.720 64.447 1.00 0.00 C ATOM 337 CD GLU A 26 51.915 135.042 64.625 1.00 0.00 C ATOM 338 OE1 GLU A 26 51.960 135.529 65.742 1.00 0.00 O ATOM 339 OE2 GLU A 26 52.433 135.543 63.641 1.00 0.00 O ATOM 0 H GLU A 26 52.204 130.882 63.528 1.00 0.00 H new ATOM 0 HA GLU A 26 53.812 133.195 64.632 1.00 0.00 H new ATOM 0 HB2 GLU A 26 51.185 131.751 65.339 1.00 0.00 H new ATOM 0 HB3 GLU A 26 51.886 132.998 66.352 1.00 0.00 H new ATOM 0 HG2 GLU A 26 51.188 133.414 63.401 1.00 0.00 H new ATOM 0 HG3 GLU A 26 50.116 133.845 64.719 1.00 0.00 H new ATOM 346 N GLY A 27 54.654 130.417 65.278 1.00 0.00 N ATOM 347 CA GLY A 27 55.413 129.505 66.186 1.00 0.00 C ATOM 348 C GLY A 27 54.432 128.668 67.011 1.00 0.00 C ATOM 349 O GLY A 27 54.729 128.258 68.117 1.00 0.00 O ATOM 0 H GLY A 27 54.731 130.198 64.285 1.00 0.00 H new ATOM 0 HA2 GLY A 27 56.062 128.852 65.602 1.00 0.00 H new ATOM 0 HA3 GLY A 27 56.056 130.086 66.847 1.00 0.00 H new ATOM 353 N ARG A 28 53.267 128.412 66.474 1.00 0.00 N ATOM 354 CA ARG A 28 52.255 127.599 67.211 1.00 0.00 C ATOM 355 C ARG A 28 51.899 126.354 66.398 1.00 0.00 C ATOM 356 O ARG A 28 51.019 126.387 65.557 1.00 0.00 O ATOM 357 CB ARG A 28 51.039 128.516 67.357 1.00 0.00 C ATOM 358 CG ARG A 28 51.385 129.678 68.289 1.00 0.00 C ATOM 359 CD ARG A 28 50.168 130.595 68.436 1.00 0.00 C ATOM 360 NE ARG A 28 50.678 131.798 69.151 1.00 0.00 N ATOM 361 CZ ARG A 28 50.520 131.906 70.442 1.00 0.00 C ATOM 362 NH1 ARG A 28 51.276 131.216 71.252 1.00 0.00 N ATOM 363 NH2 ARG A 28 49.605 132.703 70.922 1.00 0.00 N ATOM 0 H ARG A 28 52.972 128.733 65.552 1.00 0.00 H new ATOM 0 HA ARG A 28 52.619 127.256 68.179 1.00 0.00 H new ATOM 0 HB2 ARG A 28 50.738 128.896 66.381 1.00 0.00 H new ATOM 0 HB3 ARG A 28 50.193 127.956 67.756 1.00 0.00 H new ATOM 0 HG2 ARG A 28 51.687 129.298 69.265 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.230 130.239 67.890 1.00 0.00 H new ATOM 0 HD2 ARG A 28 49.753 130.860 67.463 1.00 0.00 H new ATOM 0 HD3 ARG A 28 49.372 130.108 69.000 1.00 0.00 H new ATOM 0 HE ARG A 28 51.151 132.538 68.632 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.990 130.592 70.876 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.153 131.300 72.261 1.00 0.00 H new ATOM 0 HH21 ARG A 28 49.014 133.241 70.288 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.481 132.788 71.931 1.00 0.00 H new ATOM 377 N TYR A 29 52.562 125.251 66.649 1.00 46.07 N ATOM 378 CA TYR A 29 52.247 123.999 65.896 1.00 43.41 C ATOM 379 C TYR A 29 51.476 123.046 66.813 1.00 41.37 C ATOM 380 O TYR A 29 51.869 122.819 67.944 1.00 39.95 O ATOM 381 CB TYR A 29 53.601 123.400 65.497 1.00 43.56 C ATOM 382 CG TYR A 29 54.410 124.420 64.725 1.00 42.53 C ATOM 383 CD1 TYR A 29 55.229 125.324 65.412 1.00 41.55 C ATOM 384 CD2 TYR A 29 54.336 124.464 63.329 1.00 44.01 C ATOM 385 CE1 TYR A 29 55.977 126.271 64.701 1.00 42.67 C ATOM 386 CE2 TYR A 29 55.083 125.410 62.618 1.00 42.98 C ATOM 387 CZ TYR A 29 55.904 126.314 63.305 1.00 43.35 C ATOM 388 OH TYR A 29 56.639 127.248 62.604 1.00 43.13 O ATOM 0 H TYR A 29 53.306 125.165 67.341 1.00 46.07 H new ATOM 0 HA TYR A 29 51.631 124.182 65.016 1.00 43.41 H new ATOM 0 HB2 TYR A 29 54.147 123.089 66.388 1.00 43.56 H new ATOM 0 HB3 TYR A 29 53.449 122.508 64.889 1.00 43.56 H new ATOM 0 HD1 TYR A 29 55.284 125.291 66.490 1.00 41.55 H new ATOM 0 HD2 TYR A 29 53.702 123.768 62.800 1.00 44.01 H new ATOM 0 HE1 TYR A 29 56.610 126.968 65.231 1.00 42.67 H new ATOM 0 HE2 TYR A 29 55.027 125.443 61.540 1.00 42.98 H new ATOM 0 HH TYR A 29 56.067 128.011 62.377 1.00 43.13 H new ATOM 398 N ALA A 30 50.377 122.509 66.350 1.00 0.00 N ATOM 399 CA ALA A 30 49.578 121.593 67.222 1.00 0.00 C ATOM 400 C ALA A 30 49.529 120.174 66.651 1.00 0.00 C ATOM 401 O ALA A 30 49.058 119.952 65.552 1.00 0.00 O ATOM 402 CB ALA A 30 48.179 122.206 67.266 1.00 0.00 C ATOM 0 H ALA A 30 50.000 122.662 65.415 1.00 0.00 H new ATOM 0 HA ALA A 30 50.020 121.501 68.214 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.531 121.589 67.889 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.235 123.211 67.684 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.772 122.256 66.256 1.00 0.00 H new ATOM 408 N PHE A 31 49.996 119.211 67.405 1.00 36.58 N ATOM 409 CA PHE A 31 49.962 117.795 66.935 1.00 36.29 C ATOM 410 C PHE A 31 49.064 116.972 67.861 1.00 35.25 C ATOM 411 O PHE A 31 49.167 117.063 69.070 1.00 34.09 O ATOM 412 CB PHE A 31 51.405 117.294 67.027 1.00 36.39 C ATOM 413 CG PHE A 31 52.256 117.968 65.978 1.00 38.07 C ATOM 414 CD1 PHE A 31 52.847 119.207 66.245 1.00 38.88 C ATOM 415 CD2 PHE A 31 52.456 117.349 64.738 1.00 37.33 C ATOM 416 CE1 PHE A 31 53.639 119.828 65.274 1.00 37.40 C ATOM 417 CE2 PHE A 31 53.248 117.971 63.766 1.00 37.25 C ATOM 418 CZ PHE A 31 53.840 119.210 64.034 1.00 36.45 C ATOM 0 H PHE A 31 50.401 119.347 68.331 1.00 36.58 H new ATOM 0 HA PHE A 31 49.570 117.709 65.921 1.00 36.29 H new ATOM 0 HB2 PHE A 31 51.807 117.499 68.019 1.00 36.39 H new ATOM 0 HB3 PHE A 31 51.432 116.213 66.889 1.00 36.39 H new ATOM 0 HD1 PHE A 31 52.692 119.684 67.201 1.00 38.88 H new ATOM 0 HD2 PHE A 31 51.999 116.392 64.532 1.00 37.33 H new ATOM 0 HE1 PHE A 31 54.096 120.785 65.481 1.00 37.40 H new ATOM 0 HE2 PHE A 31 53.402 117.495 62.809 1.00 37.25 H new ATOM 0 HZ PHE A 31 54.452 119.690 63.284 1.00 36.45 H new ATOM 428 N ALA A 32 48.198 116.156 67.314 1.00 34.06 N ATOM 429 CA ALA A 32 47.310 115.312 68.168 1.00 32.35 C ATOM 430 C ALA A 32 47.729 113.851 68.022 1.00 31.25 C ATOM 431 O ALA A 32 47.938 113.375 66.922 1.00 31.96 O ATOM 432 CB ALA A 32 45.901 115.522 67.612 1.00 32.65 C ATOM 0 H ALA A 32 48.068 116.038 66.309 1.00 34.06 H new ATOM 0 HA ALA A 32 47.364 115.573 69.225 1.00 32.35 H new ATOM 0 HB1 ALA A 32 45.190 114.932 68.190 1.00 32.65 H new ATOM 0 HB2 ALA A 32 45.637 116.577 67.680 1.00 32.65 H new ATOM 0 HB3 ALA A 32 45.871 115.207 66.569 1.00 32.65 H new ATOM 438 N TYR A 33 47.874 113.137 69.111 1.00 29.03 N ATOM 439 CA TYR A 33 48.301 111.709 69.000 1.00 27.15 C ATOM 440 C TYR A 33 47.339 110.781 69.748 1.00 26.72 C ATOM 441 O TYR A 33 46.824 111.117 70.798 1.00 28.24 O ATOM 442 CB TYR A 33 49.724 111.660 69.586 1.00 26.09 C ATOM 443 CG TYR A 33 49.716 111.874 71.086 1.00 26.79 C ATOM 444 CD1 TYR A 33 49.549 113.159 71.615 1.00 24.81 C ATOM 445 CD2 TYR A 33 49.891 110.783 71.943 1.00 25.37 C ATOM 446 CE1 TYR A 33 49.555 113.348 73.002 1.00 25.46 C ATOM 447 CE2 TYR A 33 49.900 110.973 73.329 1.00 25.85 C ATOM 448 CZ TYR A 33 49.730 112.255 73.859 1.00 27.60 C ATOM 449 OH TYR A 33 49.742 112.443 75.226 1.00 28.81 O ATOM 0 H TYR A 33 47.717 113.476 70.060 1.00 29.03 H new ATOM 0 HA TYR A 33 48.290 111.361 67.967 1.00 27.15 H new ATOM 0 HB2 TYR A 33 50.179 110.696 69.358 1.00 26.09 H new ATOM 0 HB3 TYR A 33 50.340 112.424 69.112 1.00 26.09 H new ATOM 0 HD1 TYR A 33 49.416 114.003 70.954 1.00 24.81 H new ATOM 0 HD2 TYR A 33 50.019 109.792 71.534 1.00 25.37 H new ATOM 0 HE1 TYR A 33 49.424 114.339 73.412 1.00 25.46 H new ATOM 0 HE2 TYR A 33 50.038 110.129 73.989 1.00 25.85 H new ATOM 0 HH TYR A 33 48.821 112.477 75.560 1.00 28.81 H new ATOM 459 N SER A 34 47.103 109.611 69.209 1.00 0.00 N ATOM 460 CA SER A 34 46.183 108.644 69.875 1.00 0.00 C ATOM 461 C SER A 34 47.003 107.545 70.550 1.00 0.00 C ATOM 462 O SER A 34 47.991 107.085 70.018 1.00 0.00 O ATOM 463 CB SER A 34 45.327 108.066 68.749 1.00 0.00 C ATOM 464 OG SER A 34 44.432 107.101 69.288 1.00 0.00 O ATOM 0 H SER A 34 47.511 109.285 68.333 1.00 0.00 H new ATOM 0 HA SER A 34 45.568 109.110 70.645 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.768 108.862 68.256 1.00 0.00 H new ATOM 0 HB3 SER A 34 45.963 107.607 67.992 1.00 0.00 H new ATOM 0 HG SER A 34 43.880 106.729 68.569 1.00 0.00 H new ATOM 470 N ILE A 35 46.607 107.139 71.728 1.00 0.00 N ATOM 471 CA ILE A 35 47.366 106.086 72.467 1.00 0.00 C ATOM 472 C ILE A 35 46.638 104.737 72.430 1.00 0.00 C ATOM 473 O ILE A 35 45.451 104.642 72.678 1.00 0.00 O ATOM 474 CB ILE A 35 47.427 106.625 73.906 1.00 0.00 C ATOM 475 CG1 ILE A 35 48.243 107.930 73.927 1.00 0.00 C ATOM 476 CG2 ILE A 35 48.083 105.596 74.840 1.00 0.00 C ATOM 477 CD1 ILE A 35 49.676 107.672 73.436 1.00 0.00 C ATOM 0 H ILE A 35 45.784 107.495 72.214 1.00 0.00 H new ATOM 0 HA ILE A 35 48.349 105.903 72.033 1.00 0.00 H new ATOM 0 HB ILE A 35 46.412 106.816 74.254 1.00 0.00 H new ATOM 0 HG12 ILE A 35 47.764 108.677 73.294 1.00 0.00 H new ATOM 0 HG13 ILE A 35 48.266 108.336 74.938 1.00 0.00 H new ATOM 0 HG21 ILE A 35 48.117 105.995 75.854 1.00 0.00 H new ATOM 0 HG22 ILE A 35 47.501 104.674 74.832 1.00 0.00 H new ATOM 0 HG23 ILE A 35 49.097 105.388 74.497 1.00 0.00 H new ATOM 0 HD11 ILE A 35 50.241 108.604 73.456 1.00 0.00 H new ATOM 0 HD12 ILE A 35 50.157 106.942 74.086 1.00 0.00 H new ATOM 0 HD13 ILE A 35 49.648 107.287 72.417 1.00 0.00 H new ATOM 489 N ARG A 36 47.369 103.698 72.120 1.00 25.30 N ATOM 490 CA ARG A 36 46.774 102.332 72.057 1.00 25.64 C ATOM 491 C ARG A 36 47.529 101.400 73.007 1.00 23.79 C ATOM 492 O ARG A 36 48.557 100.847 72.669 1.00 25.11 O ATOM 493 CB ARG A 36 46.957 101.885 70.606 1.00 28.66 C ATOM 494 CG ARG A 36 46.129 102.784 69.686 1.00 34.24 C ATOM 495 CD ARG A 36 46.313 102.335 68.234 1.00 37.45 C ATOM 496 NE ARG A 36 45.476 103.270 67.429 1.00 40.12 N ATOM 497 CZ ARG A 36 45.115 102.944 66.218 1.00 40.24 C ATOM 498 NH1 ARG A 36 45.992 102.459 65.384 1.00 39.81 N ATOM 499 NH2 ARG A 36 43.875 103.103 65.844 1.00 39.07 N ATOM 0 H ARG A 36 48.365 103.740 71.905 1.00 25.30 H new ATOM 0 HA ARG A 36 45.725 102.317 72.353 1.00 25.64 H new ATOM 0 HB2 ARG A 36 48.010 101.935 70.329 1.00 28.66 H new ATOM 0 HB3 ARG A 36 46.647 100.846 70.493 1.00 28.66 H new ATOM 0 HG2 ARG A 36 45.076 102.734 69.963 1.00 34.24 H new ATOM 0 HG3 ARG A 36 46.440 103.823 69.799 1.00 34.24 H new ATOM 0 HD2 ARG A 36 47.360 102.386 67.935 1.00 37.45 H new ATOM 0 HD3 ARG A 36 45.993 101.302 68.097 1.00 37.45 H new ATOM 0 HE ARG A 36 45.186 104.164 67.825 1.00 40.12 H new ATOM 0 HH11 ARG A 36 46.961 102.334 65.678 1.00 39.81 H new ATOM 0 HH12 ARG A 36 45.709 102.204 64.438 1.00 39.81 H new ATOM 0 HH21 ARG A 36 43.190 103.482 66.498 1.00 39.07 H new ATOM 0 HH22 ARG A 36 43.591 102.849 64.898 1.00 39.07 H new ATOM 513 N ILE A 37 47.018 101.233 74.196 1.00 20.73 N ATOM 514 CA ILE A 37 47.681 100.348 75.201 1.00 18.17 C ATOM 515 C ILE A 37 47.156 98.913 75.083 1.00 17.71 C ATOM 516 O ILE A 37 45.990 98.653 75.303 1.00 15.34 O ATOM 517 CB ILE A 37 47.303 100.943 76.563 1.00 15.47 C ATOM 518 CG1 ILE A 37 47.790 102.395 76.645 1.00 14.77 C ATOM 519 CG2 ILE A 37 47.966 100.133 77.679 1.00 14.36 C ATOM 520 CD1 ILE A 37 47.178 103.070 77.874 1.00 16.07 C ATOM 0 H ILE A 37 46.159 101.677 74.520 1.00 20.73 H new ATOM 0 HA ILE A 37 48.760 100.302 75.056 1.00 18.17 H new ATOM 0 HB ILE A 37 46.219 100.911 76.677 1.00 15.47 H new ATOM 0 HG12 ILE A 37 48.878 102.422 76.706 1.00 14.77 H new ATOM 0 HG13 ILE A 37 47.508 102.936 75.742 1.00 14.77 H new ATOM 0 HG21 ILE A 37 47.696 100.557 78.646 1.00 14.36 H new ATOM 0 HG22 ILE A 37 47.626 99.099 77.629 1.00 14.36 H new ATOM 0 HG23 ILE A 37 49.049 100.165 77.558 1.00 14.36 H new ATOM 0 HD11 ILE A 37 47.524 104.102 77.932 1.00 16.07 H new ATOM 0 HD12 ILE A 37 46.091 103.056 77.794 1.00 16.07 H new ATOM 0 HD13 ILE A 37 47.482 102.534 78.773 1.00 16.07 H new ATOM 532 N GLN A 38 48.015 97.981 74.757 1.00 0.00 N ATOM 533 CA GLN A 38 47.581 96.556 74.648 1.00 0.00 C ATOM 534 C GLN A 38 48.328 95.715 75.687 1.00 0.00 C ATOM 535 O GLN A 38 49.525 95.844 75.864 1.00 0.00 O ATOM 536 CB GLN A 38 47.938 96.124 73.225 1.00 0.00 C ATOM 537 CG GLN A 38 47.503 94.673 73.003 1.00 0.00 C ATOM 538 CD GLN A 38 47.861 94.240 71.579 1.00 0.00 C ATOM 539 OE1 GLN A 38 48.029 95.065 70.702 1.00 0.00 O ATOM 540 NE2 GLN A 38 47.984 92.970 71.309 1.00 0.00 N ATOM 0 H GLN A 38 49.002 98.147 74.561 1.00 0.00 H new ATOM 0 HA GLN A 38 46.515 96.427 74.836 1.00 0.00 H new ATOM 0 HB2 GLN A 38 47.447 96.776 72.503 1.00 0.00 H new ATOM 0 HB3 GLN A 38 49.012 96.221 73.064 1.00 0.00 H new ATOM 0 HG2 GLN A 38 47.994 94.021 73.726 1.00 0.00 H new ATOM 0 HG3 GLN A 38 46.429 94.576 73.164 1.00 0.00 H new ATOM 0 HE21 GLN A 38 47.843 92.276 72.044 1.00 0.00 H new ATOM 0 HE22 GLN A 38 48.221 92.670 70.363 1.00 0.00 H new ATOM 549 N ASN A 39 47.615 94.865 76.382 1.00 15.86 N ATOM 550 CA ASN A 39 48.262 94.017 77.427 1.00 17.88 C ATOM 551 C ASN A 39 48.699 92.674 76.834 1.00 18.37 C ATOM 552 O ASN A 39 47.882 91.889 76.393 1.00 18.69 O ATOM 553 CB ASN A 39 47.197 93.817 78.506 1.00 19.10 C ATOM 554 CG ASN A 39 47.817 93.110 79.711 1.00 21.34 C ATOM 555 OD1 ASN A 39 48.770 92.369 79.573 1.00 20.99 O ATOM 556 ND2 ASN A 39 47.314 93.309 80.899 1.00 19.13 N ATOM 0 H ASN A 39 46.611 94.722 76.270 1.00 15.86 H new ATOM 0 HA ASN A 39 49.159 94.484 77.832 1.00 17.88 H new ATOM 0 HB2 ASN A 39 46.785 94.780 78.808 1.00 19.10 H new ATOM 0 HB3 ASN A 39 46.370 93.227 78.111 1.00 19.10 H new ATOM 0 HD21 ASN A 39 47.721 92.843 81.710 1.00 19.13 H new ATOM 0 HD22 ASN A 39 46.514 93.931 81.017 1.00 19.13 H new ATOM 563 N ALA A 40 49.978 92.399 76.837 1.00 0.00 N ATOM 564 CA ALA A 40 50.472 91.097 76.293 1.00 0.00 C ATOM 565 C ALA A 40 51.100 90.248 77.410 1.00 0.00 C ATOM 566 O ALA A 40 51.721 89.235 77.145 1.00 0.00 O ATOM 567 CB ALA A 40 51.519 91.471 75.243 1.00 0.00 C ATOM 0 H ALA A 40 50.704 93.021 77.193 1.00 0.00 H new ATOM 0 HA ALA A 40 49.665 90.501 75.866 1.00 0.00 H new ATOM 0 HB1 ALA A 40 51.928 90.564 74.798 1.00 0.00 H new ATOM 0 HB2 ALA A 40 51.055 92.079 74.466 1.00 0.00 H new ATOM 0 HB3 ALA A 40 52.322 92.037 75.715 1.00 0.00 H new ATOM 573 N GLY A 41 50.939 90.642 78.654 1.00 27.60 N ATOM 574 CA GLY A 41 51.522 89.848 79.775 1.00 28.62 C ATOM 575 C GLY A 41 50.608 88.660 80.079 1.00 29.10 C ATOM 576 O GLY A 41 49.582 88.482 79.450 1.00 28.18 O ATOM 0 H GLY A 41 50.429 91.479 78.936 1.00 27.60 H new ATOM 0 HA2 GLY A 41 52.518 89.496 79.508 1.00 28.62 H new ATOM 0 HA3 GLY A 41 51.632 90.474 80.661 1.00 28.62 H new ATOM 580 N ALA A 42 50.974 87.845 81.037 1.00 0.00 N ATOM 581 CA ALA A 42 50.130 86.664 81.380 1.00 0.00 C ATOM 582 C ALA A 42 49.193 87.001 82.540 1.00 0.00 C ATOM 583 O ALA A 42 48.099 86.479 82.643 1.00 0.00 O ATOM 584 CB ALA A 42 51.121 85.576 81.794 1.00 0.00 C ATOM 0 H ALA A 42 51.821 87.948 81.595 1.00 0.00 H new ATOM 0 HA ALA A 42 49.503 86.350 80.546 1.00 0.00 H new ATOM 0 HB1 ALA A 42 50.576 84.671 82.063 1.00 0.00 H new ATOM 0 HB2 ALA A 42 51.794 85.362 80.964 1.00 0.00 H new ATOM 0 HB3 ALA A 42 51.700 85.919 82.651 1.00 0.00 H new ATOM 590 N VAL A 43 49.624 87.871 83.411 1.00 0.00 N ATOM 591 CA VAL A 43 48.776 88.257 84.582 1.00 0.00 C ATOM 592 C VAL A 43 48.206 89.670 84.375 1.00 0.00 C ATOM 593 O VAL A 43 48.887 90.544 83.877 1.00 0.00 O ATOM 594 CB VAL A 43 49.725 88.201 85.787 1.00 0.00 C ATOM 595 CG1 VAL A 43 48.998 88.637 87.060 1.00 0.00 C ATOM 596 CG2 VAL A 43 50.234 86.768 85.963 1.00 0.00 C ATOM 0 H VAL A 43 50.531 88.335 83.365 1.00 0.00 H new ATOM 0 HA VAL A 43 47.918 87.599 84.721 1.00 0.00 H new ATOM 0 HB VAL A 43 50.562 88.876 85.609 1.00 0.00 H new ATOM 0 HG11 VAL A 43 49.685 88.592 87.905 1.00 0.00 H new ATOM 0 HG12 VAL A 43 48.636 89.658 86.941 1.00 0.00 H new ATOM 0 HG13 VAL A 43 48.154 87.972 87.243 1.00 0.00 H new ATOM 0 HG21 VAL A 43 50.909 86.724 86.818 1.00 0.00 H new ATOM 0 HG22 VAL A 43 49.389 86.100 86.132 1.00 0.00 H new ATOM 0 HG23 VAL A 43 50.767 86.458 85.064 1.00 0.00 H new ATOM 606 N PRO A 44 46.954 89.843 84.759 1.00 21.08 N ATOM 607 CA PRO A 44 46.313 91.188 84.580 1.00 21.01 C ATOM 608 C PRO A 44 47.169 92.317 85.170 1.00 21.95 C ATOM 609 O PRO A 44 47.786 92.174 86.213 1.00 21.40 O ATOM 610 CB PRO A 44 44.979 91.065 85.317 1.00 20.53 C ATOM 611 CG PRO A 44 45.204 89.973 86.299 1.00 18.90 C ATOM 612 CD PRO A 44 46.094 88.989 85.601 1.00 19.89 C ATOM 0 HA PRO A 44 46.193 91.445 83.528 1.00 21.01 H new ATOM 0 HB2 PRO A 44 44.711 91.998 85.813 1.00 20.53 H new ATOM 0 HB3 PRO A 44 44.166 90.823 84.632 1.00 20.53 H new ATOM 0 HG2 PRO A 44 45.673 90.352 87.207 1.00 18.90 H new ATOM 0 HG3 PRO A 44 44.263 89.510 86.595 1.00 18.90 H new ATOM 0 HD2 PRO A 44 46.680 88.404 86.310 1.00 19.89 H new ATOM 0 HD3 PRO A 44 45.520 88.282 85.002 1.00 19.89 H new ATOM 620 N ALA A 45 47.207 93.434 84.489 1.00 20.91 N ATOM 621 CA ALA A 45 48.018 94.591 84.966 1.00 19.47 C ATOM 622 C ALA A 45 47.279 95.916 84.735 1.00 19.21 C ATOM 623 O ALA A 45 46.473 96.051 83.830 1.00 19.53 O ATOM 624 CB ALA A 45 49.285 94.546 84.114 1.00 18.37 C ATOM 0 H ALA A 45 46.706 93.594 83.615 1.00 20.91 H new ATOM 0 HA ALA A 45 48.222 94.531 86.035 1.00 19.47 H new ATOM 0 HB1 ALA A 45 49.944 95.366 84.398 1.00 18.37 H new ATOM 0 HB2 ALA A 45 49.797 93.597 84.273 1.00 18.37 H new ATOM 0 HB3 ALA A 45 49.019 94.642 83.061 1.00 18.37 H new ATOM 630 N ARG A 46 47.562 96.893 85.553 1.00 0.00 N ATOM 631 CA ARG A 46 46.905 98.225 85.407 1.00 0.00 C ATOM 632 C ARG A 46 47.975 99.319 85.356 1.00 0.00 C ATOM 633 O ARG A 46 49.094 99.113 85.786 1.00 0.00 O ATOM 634 CB ARG A 46 46.019 98.380 86.651 1.00 0.00 C ATOM 635 CG ARG A 46 46.871 98.302 87.923 1.00 0.00 C ATOM 636 CD ARG A 46 45.970 98.458 89.151 1.00 0.00 C ATOM 637 NE ARG A 46 46.906 98.594 90.301 1.00 0.00 N ATOM 638 CZ ARG A 46 46.986 97.645 91.193 1.00 0.00 C ATOM 639 NH1 ARG A 46 47.362 96.446 90.839 1.00 0.00 N ATOM 640 NH2 ARG A 46 46.687 97.895 92.438 1.00 0.00 N ATOM 0 H ARG A 46 48.227 96.825 86.324 1.00 0.00 H new ATOM 0 HA ARG A 46 46.318 98.306 84.492 1.00 0.00 H new ATOM 0 HB2 ARG A 46 45.493 99.334 86.615 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.260 97.598 86.665 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.397 97.348 87.963 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.630 99.084 87.914 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.327 99.333 89.060 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.317 97.594 89.274 1.00 0.00 H new ATOM 0 HE ARG A 46 47.485 99.429 90.392 1.00 0.00 H new ATOM 0 HH11 ARG A 46 47.593 96.251 89.865 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.424 95.704 91.536 1.00 0.00 H new ATOM 0 HH21 ARG A 46 46.391 98.832 92.713 1.00 0.00 H new ATOM 0 HH22 ARG A 46 46.749 97.154 93.136 1.00 0.00 H new ATOM 654 N LEU A 47 47.647 100.473 84.832 1.00 0.00 N ATOM 655 CA LEU A 47 48.659 101.572 84.756 1.00 0.00 C ATOM 656 C LEU A 47 48.486 102.518 85.944 1.00 0.00 C ATOM 657 O LEU A 47 47.453 103.143 86.104 1.00 0.00 O ATOM 658 CB LEU A 47 48.363 102.295 83.440 1.00 0.00 C ATOM 659 CG LEU A 47 49.527 103.226 83.093 1.00 0.00 C ATOM 660 CD1 LEU A 47 49.475 103.577 81.606 1.00 0.00 C ATOM 661 CD2 LEU A 47 49.420 104.509 83.921 1.00 0.00 C ATOM 0 H LEU A 47 46.727 100.702 84.455 1.00 0.00 H new ATOM 0 HA LEU A 47 49.683 101.200 84.789 1.00 0.00 H new ATOM 0 HB2 LEU A 47 48.214 101.569 82.640 1.00 0.00 H new ATOM 0 HB3 LEU A 47 47.440 102.868 83.528 1.00 0.00 H new ATOM 0 HG LEU A 47 50.469 102.725 83.316 1.00 0.00 H new ATOM 0 HD11 LEU A 47 50.304 104.240 81.359 1.00 0.00 H new ATOM 0 HD12 LEU A 47 49.551 102.665 81.014 1.00 0.00 H new ATOM 0 HD13 LEU A 47 48.532 104.077 81.383 1.00 0.00 H new ATOM 0 HD21 LEU A 47 50.249 105.172 83.674 1.00 0.00 H new ATOM 0 HD22 LEU A 47 48.477 105.008 83.698 1.00 0.00 H new ATOM 0 HD23 LEU A 47 49.457 104.262 84.982 1.00 0.00 H new ATOM 673 N VAL A 48 49.486 102.622 86.783 1.00 0.00 N ATOM 674 CA VAL A 48 49.379 103.521 87.972 1.00 0.00 C ATOM 675 C VAL A 48 50.087 104.856 87.706 1.00 0.00 C ATOM 676 O VAL A 48 49.725 105.870 88.272 1.00 0.00 O ATOM 677 CB VAL A 48 50.057 102.761 89.119 1.00 0.00 C ATOM 678 CG1 VAL A 48 49.985 103.594 90.402 1.00 0.00 C ATOM 679 CG2 VAL A 48 49.339 101.427 89.344 1.00 0.00 C ATOM 0 H VAL A 48 50.371 102.123 86.696 1.00 0.00 H new ATOM 0 HA VAL A 48 48.342 103.762 88.207 1.00 0.00 H new ATOM 0 HB VAL A 48 51.100 102.578 88.861 1.00 0.00 H new ATOM 0 HG11 VAL A 48 50.467 103.052 91.215 1.00 0.00 H new ATOM 0 HG12 VAL A 48 50.495 104.545 90.247 1.00 0.00 H new ATOM 0 HG13 VAL A 48 48.942 103.779 90.658 1.00 0.00 H new ATOM 0 HG21 VAL A 48 49.821 100.887 90.159 1.00 0.00 H new ATOM 0 HG22 VAL A 48 48.296 101.614 89.599 1.00 0.00 H new ATOM 0 HG23 VAL A 48 49.388 100.829 88.434 1.00 0.00 H new ATOM 689 N ALA A 49 51.098 104.867 86.867 1.00 0.00 N ATOM 690 CA ALA A 49 51.818 106.153 86.603 1.00 0.00 C ATOM 691 C ALA A 49 52.243 106.278 85.133 1.00 0.00 C ATOM 692 O ALA A 49 52.287 105.313 84.396 1.00 0.00 O ATOM 693 CB ALA A 49 53.046 106.109 87.511 1.00 0.00 C ATOM 0 H ALA A 49 51.450 104.054 86.361 1.00 0.00 H new ATOM 0 HA ALA A 49 51.178 107.013 86.802 1.00 0.00 H new ATOM 0 HB1 ALA A 49 53.630 107.020 87.377 1.00 0.00 H new ATOM 0 HB2 ALA A 49 52.727 106.032 88.550 1.00 0.00 H new ATOM 0 HB3 ALA A 49 53.658 105.244 87.254 1.00 0.00 H new ATOM 699 N ARG A 50 52.558 107.478 84.721 1.00 18.13 N ATOM 700 CA ARG A 50 52.990 107.725 83.312 1.00 20.89 C ATOM 701 C ARG A 50 54.082 108.802 83.260 1.00 22.46 C ATOM 702 O ARG A 50 54.057 109.772 83.995 1.00 23.35 O ATOM 703 CB ARG A 50 51.726 108.193 82.577 1.00 21.09 C ATOM 704 CG ARG A 50 51.222 109.514 83.168 1.00 22.20 C ATOM 705 CD ARG A 50 49.816 109.806 82.640 1.00 26.75 C ATOM 706 NE ARG A 50 50.028 110.636 81.422 1.00 26.68 N ATOM 707 CZ ARG A 50 49.745 111.909 81.441 1.00 28.58 C ATOM 708 NH1 ARG A 50 50.642 112.771 81.837 1.00 27.75 N ATOM 709 NH2 ARG A 50 48.565 112.320 81.065 1.00 29.05 N ATOM 0 H ARG A 50 52.534 108.310 85.310 1.00 18.13 H new ATOM 0 HA ARG A 50 53.416 106.832 82.855 1.00 20.89 H new ATOM 0 HB2 ARG A 50 51.941 108.321 81.516 1.00 21.09 H new ATOM 0 HB3 ARG A 50 50.949 107.432 82.656 1.00 21.09 H new ATOM 0 HG2 ARG A 50 51.208 109.456 84.256 1.00 22.20 H new ATOM 0 HG3 ARG A 50 51.898 110.326 82.900 1.00 22.20 H new ATOM 0 HD2 ARG A 50 49.284 108.885 82.402 1.00 26.75 H new ATOM 0 HD3 ARG A 50 49.218 110.337 83.381 1.00 26.75 H new ATOM 0 HE ARG A 50 50.395 110.208 80.572 1.00 26.68 H new ATOM 0 HH11 ARG A 50 51.564 112.449 82.131 1.00 27.75 H new ATOM 0 HH12 ARG A 50 50.421 113.767 81.852 1.00 27.75 H new ATOM 0 HH21 ARG A 50 47.865 111.646 80.756 1.00 29.05 H new ATOM 0 HH22 ARG A 50 48.343 113.315 81.080 1.00 29.05 H new ATOM 723 N HIS A 51 55.038 108.621 82.386 1.00 22.89 N ATOM 724 CA HIS A 51 56.151 109.606 82.248 1.00 23.99 C ATOM 725 C HIS A 51 56.581 109.698 80.778 1.00 24.58 C ATOM 726 O HIS A 51 57.079 108.748 80.205 1.00 24.14 O ATOM 727 CB HIS A 51 57.282 109.053 83.122 1.00 22.92 C ATOM 728 CG HIS A 51 58.488 109.953 83.035 1.00 25.85 C ATOM 729 ND1 HIS A 51 59.754 109.528 83.407 1.00 27.97 N ATOM 730 CD2 HIS A 51 58.638 111.252 82.615 1.00 26.54 C ATOM 731 CE1 HIS A 51 60.602 110.553 83.204 1.00 26.28 C ATOM 732 NE2 HIS A 51 59.973 111.629 82.722 1.00 25.48 N ATOM 0 H HIS A 51 55.095 107.822 81.754 1.00 22.89 H new ATOM 0 HA HIS A 51 55.866 110.612 82.557 1.00 23.99 H new ATOM 0 HB2 HIS A 51 56.949 108.977 84.157 1.00 22.92 H new ATOM 0 HB3 HIS A 51 57.545 108.046 82.797 1.00 22.92 H new ATOM 0 HD1 HIS A 51 59.998 108.606 83.769 1.00 27.97 H new ATOM 0 HD2 HIS A 51 57.840 111.885 82.256 1.00 26.54 H new ATOM 0 HE1 HIS A 51 61.662 110.511 83.406 1.00 26.28 H new ATOM 740 N TRP A 52 56.382 110.837 80.171 1.00 24.73 N ATOM 741 CA TRP A 52 56.762 111.019 78.737 1.00 24.73 C ATOM 742 C TRP A 52 58.099 111.757 78.603 1.00 25.24 C ATOM 743 O TRP A 52 58.352 112.736 79.279 1.00 25.25 O ATOM 744 CB TRP A 52 55.645 111.883 78.153 1.00 22.37 C ATOM 745 CG TRP A 52 54.467 111.031 77.808 1.00 21.36 C ATOM 746 CD1 TRP A 52 53.292 111.015 78.479 1.00 21.28 C ATOM 747 CD2 TRP A 52 54.330 110.074 76.718 1.00 20.49 C ATOM 748 NE1 TRP A 52 52.442 110.110 77.868 1.00 19.65 N ATOM 749 CE2 TRP A 52 53.037 109.505 76.778 1.00 19.51 C ATOM 750 CE3 TRP A 52 55.195 109.650 75.693 1.00 19.22 C ATOM 751 CZ2 TRP A 52 52.616 108.550 75.852 1.00 19.14 C ATOM 752 CZ3 TRP A 52 54.775 108.689 74.761 1.00 19.43 C ATOM 753 CH2 TRP A 52 53.487 108.140 74.840 1.00 18.33 C ATOM 0 H TRP A 52 55.968 111.659 80.611 1.00 24.73 H new ATOM 0 HA TRP A 52 56.879 110.061 78.230 1.00 24.73 H new ATOM 0 HB2 TRP A 52 55.353 112.648 78.872 1.00 22.37 H new ATOM 0 HB3 TRP A 52 56.002 112.401 77.263 1.00 22.37 H new ATOM 0 HD1 TRP A 52 53.056 111.611 79.349 1.00 21.28 H new ATOM 0 HE1 TRP A 52 51.492 109.914 78.184 1.00 19.65 H new ATOM 0 HE3 TRP A 52 56.189 110.067 75.623 1.00 19.22 H new ATOM 0 HZ2 TRP A 52 51.623 108.130 75.917 1.00 19.14 H new ATOM 0 HZ3 TRP A 52 55.447 108.370 73.978 1.00 19.43 H new ATOM 0 HH2 TRP A 52 53.169 107.401 74.119 1.00 18.33 H new ATOM 764 N GLN A 53 58.947 111.294 77.720 1.00 0.00 N ATOM 765 CA GLN A 53 60.270 111.956 77.510 1.00 0.00 C ATOM 766 C GLN A 53 60.335 112.515 76.084 1.00 0.00 C ATOM 767 O GLN A 53 60.930 111.924 75.202 1.00 0.00 O ATOM 768 CB GLN A 53 61.302 110.843 77.696 1.00 0.00 C ATOM 769 CG GLN A 53 61.490 110.565 79.189 1.00 0.00 C ATOM 770 CD GLN A 53 60.466 109.526 79.650 1.00 0.00 C ATOM 771 OE1 GLN A 53 59.516 109.854 80.332 1.00 0.00 O ATOM 772 NE2 GLN A 53 60.620 108.278 79.302 1.00 0.00 N ATOM 0 H GLN A 53 58.778 110.479 77.131 1.00 0.00 H new ATOM 0 HA GLN A 53 60.443 112.785 78.197 1.00 0.00 H new ATOM 0 HB2 GLN A 53 60.972 109.938 77.185 1.00 0.00 H new ATOM 0 HB3 GLN A 53 62.252 111.134 77.247 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.501 110.203 79.377 1.00 0.00 H new ATOM 0 HG3 GLN A 53 61.370 111.486 79.759 1.00 0.00 H new ATOM 0 HE21 GLN A 53 61.418 108.003 78.729 1.00 0.00 H new ATOM 0 HE22 GLN A 53 59.942 107.577 79.603 1.00 0.00 H new ATOM 781 N ILE A 54 59.707 113.639 75.852 1.00 28.56 N ATOM 782 CA ILE A 54 59.703 114.241 74.482 1.00 31.69 C ATOM 783 C ILE A 54 60.910 115.167 74.248 1.00 31.35 C ATOM 784 O ILE A 54 61.216 116.033 75.044 1.00 31.20 O ATOM 785 CB ILE A 54 58.363 115.011 74.375 1.00 32.89 C ATOM 786 CG1 ILE A 54 58.359 116.246 75.289 1.00 34.14 C ATOM 787 CG2 ILE A 54 57.194 114.094 74.756 1.00 31.08 C ATOM 788 CD1 ILE A 54 57.100 117.073 75.021 1.00 36.11 C ATOM 0 H ILE A 54 59.194 114.170 76.556 1.00 28.56 H new ATOM 0 HA ILE A 54 59.789 113.472 73.715 1.00 31.69 H new ATOM 0 HB ILE A 54 58.250 115.341 73.342 1.00 32.89 H new ATOM 0 HG12 ILE A 54 58.390 115.938 76.334 1.00 34.14 H new ATOM 0 HG13 ILE A 54 59.249 116.849 75.108 1.00 34.14 H new ATOM 0 HG21 ILE A 54 56.258 114.646 74.677 1.00 31.08 H new ATOM 0 HG22 ILE A 54 57.168 113.238 74.082 1.00 31.08 H new ATOM 0 HG23 ILE A 54 57.324 113.745 75.780 1.00 31.08 H new ATOM 0 HD11 ILE A 54 57.096 117.950 75.669 1.00 36.11 H new ATOM 0 HD12 ILE A 54 57.089 117.392 73.979 1.00 36.11 H new ATOM 0 HD13 ILE A 54 56.217 116.467 75.224 1.00 36.11 H new ATOM 800 N THR A 55 61.582 114.990 73.139 1.00 32.39 N ATOM 801 CA THR A 55 62.749 115.862 72.801 1.00 32.79 C ATOM 802 C THR A 55 62.449 116.581 71.486 1.00 33.98 C ATOM 803 O THR A 55 61.982 115.983 70.534 1.00 33.62 O ATOM 804 CB THR A 55 63.959 114.934 72.671 1.00 32.44 C ATOM 805 OG1 THR A 55 64.166 114.254 73.901 1.00 30.14 O ATOM 806 CG2 THR A 55 65.202 115.755 72.323 1.00 31.51 C ATOM 0 H THR A 55 61.370 114.272 72.446 1.00 32.39 H new ATOM 0 HA THR A 55 62.945 116.620 73.559 1.00 32.79 H new ATOM 0 HB THR A 55 63.776 114.207 71.880 1.00 32.44 H new ATOM 0 HG1 THR A 55 64.940 113.658 73.819 1.00 30.14 H new ATOM 0 HG21 THR A 55 66.062 115.092 72.231 1.00 31.51 H new ATOM 0 HG22 THR A 55 65.042 116.275 71.378 1.00 31.51 H new ATOM 0 HG23 THR A 55 65.389 116.484 73.111 1.00 31.51 H new ATOM 814 N ASP A 56 62.687 117.869 71.442 1.00 36.19 N ATOM 815 CA ASP A 56 62.385 118.644 70.204 1.00 38.66 C ATOM 816 C ASP A 56 63.554 118.588 69.214 1.00 38.50 C ATOM 817 O ASP A 56 64.634 118.128 69.527 1.00 37.75 O ATOM 818 CB ASP A 56 62.138 120.077 70.676 1.00 41.21 C ATOM 819 CG ASP A 56 61.485 120.883 69.551 1.00 42.74 C ATOM 820 OD1 ASP A 56 62.201 121.295 68.652 1.00 45.04 O ATOM 821 OD2 ASP A 56 60.281 121.073 69.606 1.00 43.86 O ATOM 0 H ASP A 56 63.077 118.415 72.210 1.00 36.19 H new ATOM 0 HA ASP A 56 61.524 118.235 69.676 1.00 38.66 H new ATOM 0 HB2 ASP A 56 61.495 120.075 71.556 1.00 41.21 H new ATOM 0 HB3 ASP A 56 63.079 120.541 70.970 1.00 41.21 H new ATOM 826 N GLY A 57 63.321 119.044 68.010 1.00 37.51 N ATOM 827 CA GLY A 57 64.380 119.024 66.954 1.00 38.01 C ATOM 828 C GLY A 57 65.609 119.862 67.351 1.00 39.47 C ATOM 829 O GLY A 57 66.628 119.799 66.688 1.00 38.99 O ATOM 0 H GLY A 57 62.429 119.435 67.709 1.00 37.51 H new ATOM 0 HA2 GLY A 57 64.688 117.995 66.769 1.00 38.01 H new ATOM 0 HA3 GLY A 57 63.968 119.406 66.020 1.00 38.01 H new ATOM 833 N ASN A 58 65.547 120.629 68.419 1.00 0.00 N ATOM 834 CA ASN A 58 66.744 121.434 68.822 1.00 0.00 C ATOM 835 C ASN A 58 67.498 120.750 69.978 1.00 0.00 C ATOM 836 O ASN A 58 68.413 121.316 70.547 1.00 0.00 O ATOM 837 CB ASN A 58 66.199 122.796 69.248 1.00 0.00 C ATOM 838 CG ASN A 58 65.661 123.537 68.023 1.00 0.00 C ATOM 839 OD1 ASN A 58 66.422 123.993 67.192 1.00 0.00 O ATOM 840 ND2 ASN A 58 64.373 123.676 67.874 1.00 0.00 N ATOM 0 H ASN A 58 64.729 120.730 69.020 1.00 0.00 H new ATOM 0 HA ASN A 58 67.460 121.531 68.006 1.00 0.00 H new ATOM 0 HB2 ASN A 58 65.407 122.668 69.985 1.00 0.00 H new ATOM 0 HB3 ASN A 58 66.986 123.382 69.724 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.004 124.167 67.060 1.00 0.00 H new ATOM 0 HD22 ASN A 58 63.735 123.293 68.571 1.00 0.00 H new ATOM 847 N GLY A 59 67.137 119.531 70.314 1.00 0.00 N ATOM 848 CA GLY A 59 67.850 118.807 71.411 1.00 0.00 C ATOM 849 C GLY A 59 67.165 119.043 72.761 1.00 0.00 C ATOM 850 O GLY A 59 67.342 118.275 73.688 1.00 0.00 O ATOM 0 H GLY A 59 66.379 119.009 69.874 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.872 117.739 71.192 1.00 0.00 H new ATOM 0 HA3 GLY A 59 68.885 119.144 71.461 1.00 0.00 H new ATOM 854 N ARG A 60 66.389 120.095 72.891 1.00 49.10 N ATOM 855 CA ARG A 60 65.706 120.361 74.200 1.00 50.05 C ATOM 856 C ARG A 60 64.791 119.185 74.559 1.00 49.79 C ATOM 857 O ARG A 60 64.170 118.592 73.697 1.00 48.27 O ATOM 858 CB ARG A 60 64.879 121.636 73.975 1.00 52.38 C ATOM 859 CG ARG A 60 65.525 122.820 74.713 1.00 55.08 C ATOM 860 CD ARG A 60 66.151 123.786 73.700 1.00 57.97 C ATOM 861 NE ARG A 60 65.021 124.243 72.841 1.00 60.72 N ATOM 862 CZ ARG A 60 65.254 125.015 71.814 1.00 61.65 C ATOM 863 NH1 ARG A 60 66.068 126.027 71.930 1.00 61.80 N ATOM 864 NH2 ARG A 60 64.670 124.773 70.672 1.00 62.78 N ATOM 0 H ARG A 60 66.200 120.775 72.155 1.00 49.10 H new ATOM 0 HA ARG A 60 66.416 120.481 75.019 1.00 50.05 H new ATOM 0 HB2 ARG A 60 64.814 121.853 72.909 1.00 52.38 H new ATOM 0 HB3 ARG A 60 63.860 121.486 74.333 1.00 52.38 H new ATOM 0 HG2 ARG A 60 64.776 123.340 75.310 1.00 55.08 H new ATOM 0 HG3 ARG A 60 66.287 122.458 75.403 1.00 55.08 H new ATOM 0 HD2 ARG A 60 66.628 124.627 74.202 1.00 57.97 H new ATOM 0 HD3 ARG A 60 66.920 123.290 73.107 1.00 57.97 H new ATOM 0 HE ARG A 60 64.067 123.953 73.055 1.00 60.72 H new ATOM 0 HH11 ARG A 60 66.523 126.216 72.823 1.00 61.80 H new ATOM 0 HH12 ARG A 60 66.250 126.630 71.128 1.00 61.80 H new ATOM 0 HH21 ARG A 60 64.033 123.982 70.583 1.00 62.78 H new ATOM 0 HH22 ARG A 60 64.851 125.375 69.869 1.00 62.78 H new ATOM 878 N THR A 61 64.718 118.834 75.821 1.00 0.00 N ATOM 879 CA THR A 61 63.857 117.682 76.226 1.00 0.00 C ATOM 880 C THR A 61 62.864 118.101 77.312 1.00 0.00 C ATOM 881 O THR A 61 63.200 118.850 78.210 1.00 0.00 O ATOM 882 CB THR A 61 64.834 116.647 76.790 1.00 0.00 C ATOM 883 OG1 THR A 61 65.545 117.213 77.883 1.00 0.00 O ATOM 884 CG2 THR A 61 65.821 116.220 75.702 1.00 0.00 C ATOM 0 H THR A 61 65.216 119.294 76.583 1.00 0.00 H new ATOM 0 HA THR A 61 63.271 117.300 75.390 1.00 0.00 H new ATOM 0 HB THR A 61 64.277 115.774 77.131 1.00 0.00 H new ATOM 0 HG1 THR A 61 64.985 117.884 78.325 1.00 0.00 H new ATOM 0 HG21 THR A 61 66.514 115.483 76.108 1.00 0.00 H new ATOM 0 HG22 THR A 61 65.275 115.782 74.867 1.00 0.00 H new ATOM 0 HG23 THR A 61 66.378 117.090 75.355 1.00 0.00 H new ATOM 892 N GLU A 62 61.648 117.624 77.238 1.00 0.00 N ATOM 893 CA GLU A 62 60.633 117.993 78.269 1.00 0.00 C ATOM 894 C GLU A 62 60.076 116.728 78.925 1.00 0.00 C ATOM 895 O GLU A 62 59.477 115.888 78.277 1.00 0.00 O ATOM 896 CB GLU A 62 59.536 118.732 77.501 1.00 0.00 C ATOM 897 CG GLU A 62 60.065 120.093 77.037 1.00 0.00 C ATOM 898 CD GLU A 62 58.974 120.847 76.265 1.00 0.00 C ATOM 899 OE1 GLU A 62 58.044 120.207 75.798 1.00 0.00 O ATOM 900 OE2 GLU A 62 59.089 122.057 76.153 1.00 0.00 O ATOM 0 H GLU A 62 61.314 116.995 76.508 1.00 0.00 H new ATOM 0 HA GLU A 62 61.051 118.609 79.065 1.00 0.00 H new ATOM 0 HB2 GLU A 62 59.218 118.141 76.642 1.00 0.00 H new ATOM 0 HB3 GLU A 62 58.661 118.868 78.136 1.00 0.00 H new ATOM 0 HG2 GLU A 62 60.384 120.680 77.898 1.00 0.00 H new ATOM 0 HG3 GLU A 62 60.941 119.955 76.403 1.00 0.00 H new ATOM 907 N GLN A 63 60.280 116.589 80.209 1.00 0.00 N ATOM 908 CA GLN A 63 59.779 115.383 80.933 1.00 0.00 C ATOM 909 C GLN A 63 58.528 115.720 81.748 1.00 0.00 C ATOM 910 O GLN A 63 58.472 116.730 82.424 1.00 0.00 O ATOM 911 CB GLN A 63 60.924 115.001 81.872 1.00 0.00 C ATOM 912 CG GLN A 63 62.096 114.458 81.054 1.00 0.00 C ATOM 913 CD GLN A 63 63.242 114.076 81.993 1.00 0.00 C ATOM 914 OE1 GLN A 63 63.482 114.744 82.979 1.00 0.00 O ATOM 915 NE2 GLN A 63 63.964 113.023 81.726 1.00 0.00 N ATOM 0 H GLN A 63 60.776 117.264 80.791 1.00 0.00 H new ATOM 0 HA GLN A 63 59.503 114.580 80.250 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.241 115.870 82.448 1.00 0.00 H new ATOM 0 HB3 GLN A 63 60.587 114.250 82.587 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.779 113.589 80.478 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.433 115.209 80.339 1.00 0.00 H new ATOM 0 HE21 GLN A 63 63.762 112.463 80.898 1.00 0.00 H new ATOM 0 HE22 GLN A 63 64.731 112.760 82.345 1.00 0.00 H new ATOM 924 N VAL A 64 57.528 114.878 81.687 1.00 37.94 N ATOM 925 CA VAL A 64 56.275 115.141 82.456 1.00 37.05 C ATOM 926 C VAL A 64 55.900 113.906 83.283 1.00 36.89 C ATOM 927 O VAL A 64 55.870 112.797 82.788 1.00 36.32 O ATOM 928 CB VAL A 64 55.206 115.444 81.402 1.00 36.50 C ATOM 929 CG1 VAL A 64 53.868 115.730 82.090 1.00 37.01 C ATOM 930 CG2 VAL A 64 55.626 116.671 80.586 1.00 35.74 C ATOM 0 H VAL A 64 57.526 114.019 81.137 1.00 37.94 H new ATOM 0 HA VAL A 64 56.384 115.969 83.157 1.00 37.05 H new ATOM 0 HB VAL A 64 55.099 114.583 80.742 1.00 36.50 H new ATOM 0 HG11 VAL A 64 53.110 115.945 81.337 1.00 37.01 H new ATOM 0 HG12 VAL A 64 53.565 114.860 82.672 1.00 37.01 H new ATOM 0 HG13 VAL A 64 53.976 116.589 82.752 1.00 37.01 H new ATOM 0 HG21 VAL A 64 54.865 116.887 79.836 1.00 35.74 H new ATOM 0 HG22 VAL A 64 55.735 117.529 81.249 1.00 35.74 H new ATOM 0 HG23 VAL A 64 56.577 116.471 80.092 1.00 35.74 H new ATOM 940 N ASP A 65 55.621 114.108 84.544 1.00 0.00 N ATOM 941 CA ASP A 65 55.253 112.972 85.439 1.00 0.00 C ATOM 942 C ASP A 65 53.895 113.239 86.090 1.00 0.00 C ATOM 943 O ASP A 65 53.683 114.271 86.699 1.00 0.00 O ATOM 944 CB ASP A 65 56.353 112.935 86.500 1.00 0.00 C ATOM 945 CG ASP A 65 57.662 112.462 85.864 1.00 0.00 C ATOM 946 OD1 ASP A 65 57.627 111.469 85.156 1.00 0.00 O ATOM 947 OD2 ASP A 65 58.675 113.101 86.094 1.00 0.00 O ATOM 0 H ASP A 65 55.633 115.022 84.997 1.00 0.00 H new ATOM 0 HA ASP A 65 55.172 112.028 84.900 1.00 0.00 H new ATOM 0 HB2 ASP A 65 56.485 113.925 86.936 1.00 0.00 H new ATOM 0 HB3 ASP A 65 56.068 112.265 87.311 1.00 0.00 H new ATOM 952 N GLY A 66 52.976 112.313 85.971 1.00 31.82 N ATOM 953 CA GLY A 66 51.630 112.506 86.584 1.00 29.07 C ATOM 954 C GLY A 66 51.057 111.150 86.996 1.00 27.67 C ATOM 955 O GLY A 66 51.282 110.148 86.344 1.00 27.18 O ATOM 0 H GLY A 66 53.102 111.431 85.474 1.00 31.82 H new ATOM 0 HA2 GLY A 66 51.705 113.160 87.453 1.00 29.07 H new ATOM 0 HA3 GLY A 66 50.962 112.994 85.874 1.00 29.07 H new ATOM 959 N GLU A 67 50.318 111.111 88.075 1.00 0.00 N ATOM 960 CA GLU A 67 49.723 109.818 88.536 1.00 0.00 C ATOM 961 C GLU A 67 48.666 109.338 87.535 1.00 0.00 C ATOM 962 O GLU A 67 48.053 110.127 86.842 1.00 0.00 O ATOM 963 CB GLU A 67 49.087 110.120 89.899 1.00 0.00 C ATOM 964 CG GLU A 67 48.016 111.210 89.753 1.00 0.00 C ATOM 965 CD GLU A 67 47.155 111.255 91.019 1.00 0.00 C ATOM 966 OE1 GLU A 67 46.962 110.212 91.621 1.00 0.00 O ATOM 967 OE2 GLU A 67 46.700 112.334 91.362 1.00 0.00 O ATOM 0 H GLU A 67 50.100 111.919 88.658 1.00 0.00 H new ATOM 0 HA GLU A 67 50.470 109.028 88.613 1.00 0.00 H new ATOM 0 HB2 GLU A 67 48.641 109.214 90.309 1.00 0.00 H new ATOM 0 HB3 GLU A 67 49.854 110.445 90.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 48.488 112.178 89.587 1.00 0.00 H new ATOM 0 HG3 GLU A 67 47.392 111.007 88.883 1.00 0.00 H new ATOM 974 N GLY A 68 48.436 108.048 87.472 1.00 22.62 N ATOM 975 CA GLY A 68 47.405 107.484 86.538 1.00 22.36 C ATOM 976 C GLY A 68 47.531 108.074 85.127 1.00 20.38 C ATOM 977 O GLY A 68 48.523 108.679 84.773 1.00 21.93 O ATOM 0 H GLY A 68 48.924 107.352 88.035 1.00 22.62 H new ATOM 0 HA2 GLY A 68 47.512 106.400 86.490 1.00 22.36 H new ATOM 0 HA3 GLY A 68 46.409 107.689 86.930 1.00 22.36 H new ATOM 981 N VAL A 69 46.512 107.893 84.330 1.00 17.51 N ATOM 982 CA VAL A 69 46.513 108.428 82.932 1.00 15.40 C ATOM 983 C VAL A 69 45.208 109.181 82.669 1.00 17.02 C ATOM 984 O VAL A 69 44.132 108.690 82.924 1.00 17.35 O ATOM 985 CB VAL A 69 46.630 107.208 82.004 1.00 12.26 C ATOM 986 CG1 VAL A 69 48.028 106.603 82.134 1.00 8.73 C ATOM 987 CG2 VAL A 69 45.580 106.150 82.371 1.00 8.21 C ATOM 0 H VAL A 69 45.664 107.389 84.591 1.00 17.51 H new ATOM 0 HA VAL A 69 47.335 109.124 82.765 1.00 15.40 H new ATOM 0 HB VAL A 69 46.459 107.531 80.977 1.00 12.26 H new ATOM 0 HG11 VAL A 69 48.113 105.738 81.477 1.00 8.73 H new ATOM 0 HG12 VAL A 69 48.774 107.347 81.853 1.00 8.73 H new ATOM 0 HG13 VAL A 69 48.196 106.293 83.165 1.00 8.73 H new ATOM 0 HG21 VAL A 69 45.678 105.294 81.704 1.00 8.21 H new ATOM 0 HG22 VAL A 69 45.733 105.827 83.401 1.00 8.21 H new ATOM 0 HG23 VAL A 69 44.582 106.577 82.270 1.00 8.21 H new ATOM 997 N VAL A 70 45.326 110.388 82.170 1.00 17.68 N ATOM 998 CA VAL A 70 44.139 111.266 81.868 1.00 16.81 C ATOM 999 C VAL A 70 43.062 111.177 82.974 1.00 17.08 C ATOM 1000 O VAL A 70 41.880 111.286 82.719 1.00 16.77 O ATOM 1001 CB VAL A 70 43.599 110.839 80.485 1.00 18.60 C ATOM 1002 CG1 VAL A 70 44.730 110.852 79.445 1.00 19.36 C ATOM 1003 CG2 VAL A 70 42.979 109.440 80.556 1.00 20.55 C ATOM 0 H VAL A 70 46.224 110.819 81.951 1.00 17.68 H new ATOM 0 HA VAL A 70 44.435 112.315 81.845 1.00 16.81 H new ATOM 0 HB VAL A 70 42.829 111.550 80.186 1.00 18.60 H new ATOM 0 HG11 VAL A 70 44.336 110.549 78.475 1.00 19.36 H new ATOM 0 HG12 VAL A 70 45.144 111.857 79.370 1.00 19.36 H new ATOM 0 HG13 VAL A 70 45.513 110.159 79.751 1.00 19.36 H new ATOM 0 HG21 VAL A 70 42.605 109.158 79.572 1.00 20.55 H new ATOM 0 HG22 VAL A 70 43.735 108.723 80.876 1.00 20.55 H new ATOM 0 HG23 VAL A 70 42.156 109.443 81.270 1.00 20.55 H new ATOM 1013 N GLY A 71 43.490 111.026 84.205 1.00 17.30 N ATOM 1014 CA GLY A 71 42.535 110.981 85.359 1.00 16.44 C ATOM 1015 C GLY A 71 41.932 109.585 85.584 1.00 18.03 C ATOM 1016 O GLY A 71 40.935 109.456 86.272 1.00 18.29 O ATOM 0 H GLY A 71 44.472 110.931 84.462 1.00 17.30 H new ATOM 0 HA2 GLY A 71 43.052 111.298 86.265 1.00 16.44 H new ATOM 0 HA3 GLY A 71 41.730 111.695 85.186 1.00 16.44 H new ATOM 1020 N GLU A 72 42.512 108.541 85.038 1.00 0.00 N ATOM 1021 CA GLU A 72 41.929 107.176 85.270 1.00 0.00 C ATOM 1022 C GLU A 72 43.015 106.100 85.378 1.00 0.00 C ATOM 1023 O GLU A 72 44.069 106.192 84.782 1.00 0.00 O ATOM 1024 CB GLU A 72 41.010 106.896 84.077 1.00 0.00 C ATOM 1025 CG GLU A 72 41.809 106.937 82.778 1.00 0.00 C ATOM 1026 CD GLU A 72 40.949 106.404 81.631 1.00 0.00 C ATOM 1027 OE1 GLU A 72 40.709 105.208 81.604 1.00 0.00 O ATOM 1028 OE2 GLU A 72 40.546 107.201 80.801 1.00 0.00 O ATOM 0 H GLU A 72 43.347 108.570 84.453 1.00 0.00 H new ATOM 0 HA GLU A 72 41.385 107.150 86.214 1.00 0.00 H new ATOM 0 HB2 GLU A 72 40.539 105.920 84.192 1.00 0.00 H new ATOM 0 HB3 GLU A 72 40.209 107.635 84.044 1.00 0.00 H new ATOM 0 HG2 GLU A 72 42.125 107.958 82.565 1.00 0.00 H new ATOM 0 HG3 GLU A 72 42.714 106.338 82.877 1.00 0.00 H new ATOM 1035 N GLN A 73 42.737 105.074 86.138 1.00 13.09 N ATOM 1036 CA GLN A 73 43.703 103.952 86.317 1.00 15.45 C ATOM 1037 C GLN A 73 43.088 102.666 85.742 1.00 15.30 C ATOM 1038 O GLN A 73 42.631 101.815 86.480 1.00 16.40 O ATOM 1039 CB GLN A 73 43.878 103.829 87.833 1.00 18.12 C ATOM 1040 CG GLN A 73 44.669 105.029 88.355 1.00 18.21 C ATOM 1041 CD GLN A 73 44.618 105.049 89.884 1.00 16.98 C ATOM 1042 OE1 GLN A 73 45.592 104.737 90.541 1.00 18.14 O ATOM 1043 NE2 GLN A 73 43.515 105.407 90.483 1.00 14.04 N ATOM 0 H GLN A 73 41.863 104.965 86.652 1.00 13.09 H new ATOM 0 HA GLN A 73 44.654 104.120 85.812 1.00 15.45 H new ATOM 0 HB2 GLN A 73 42.904 103.783 88.320 1.00 18.12 H new ATOM 0 HB3 GLN A 73 44.399 102.903 88.075 1.00 18.12 H new ATOM 0 HG2 GLN A 73 45.703 104.971 88.016 1.00 18.21 H new ATOM 0 HG3 GLN A 73 44.253 105.954 87.955 1.00 18.21 H new ATOM 0 HE21 GLN A 73 42.697 105.669 89.932 1.00 14.04 H new ATOM 0 HE22 GLN A 73 43.471 105.425 91.502 1.00 14.04 H new ATOM 1052 N PRO A 74 43.070 102.584 84.430 1.00 15.25 N ATOM 1053 CA PRO A 74 42.458 101.382 83.788 1.00 16.63 C ATOM 1054 C PRO A 74 43.106 100.078 84.271 1.00 17.41 C ATOM 1055 O PRO A 74 44.306 99.988 84.454 1.00 17.61 O ATOM 1056 CB PRO A 74 42.710 101.585 82.298 1.00 16.18 C ATOM 1057 CG PRO A 74 43.904 102.471 82.230 1.00 16.38 C ATOM 1058 CD PRO A 74 43.851 103.357 83.444 1.00 13.89 C ATOM 0 HA PRO A 74 41.400 101.289 84.035 1.00 16.63 H new ATOM 0 HB2 PRO A 74 42.893 100.635 81.795 1.00 16.18 H new ATOM 0 HB3 PRO A 74 41.850 102.043 81.810 1.00 16.18 H new ATOM 0 HG2 PRO A 74 44.822 101.884 82.219 1.00 16.38 H new ATOM 0 HG3 PRO A 74 43.894 103.065 81.316 1.00 16.38 H new ATOM 0 HD2 PRO A 74 44.851 103.581 83.816 1.00 13.89 H new ATOM 0 HD3 PRO A 74 43.374 104.311 83.219 1.00 13.89 H new ATOM 1066 N TRP A 75 42.299 99.065 84.456 1.00 0.00 N ATOM 1067 CA TRP A 75 42.812 97.737 84.905 1.00 0.00 C ATOM 1068 C TRP A 75 42.917 96.815 83.688 1.00 0.00 C ATOM 1069 O TRP A 75 42.068 95.973 83.462 1.00 0.00 O ATOM 1070 CB TRP A 75 41.752 97.227 85.880 1.00 0.00 C ATOM 1071 CG TRP A 75 42.385 96.348 86.910 1.00 0.00 C ATOM 1072 CD1 TRP A 75 43.138 96.783 87.946 1.00 0.00 C ATOM 1073 CD2 TRP A 75 42.326 94.897 87.025 1.00 0.00 C ATOM 1074 NE1 TRP A 75 43.545 95.691 88.690 1.00 0.00 N ATOM 1075 CE2 TRP A 75 43.071 94.506 88.163 1.00 0.00 C ATOM 1076 CE3 TRP A 75 41.707 93.893 86.260 1.00 0.00 C ATOM 1077 CZ2 TRP A 75 43.195 93.168 88.530 1.00 0.00 C ATOM 1078 CZ3 TRP A 75 41.829 92.542 86.627 1.00 0.00 C ATOM 1079 CH2 TRP A 75 42.572 92.181 87.761 1.00 0.00 C ATOM 0 H TRP A 75 41.290 99.104 84.312 1.00 0.00 H new ATOM 0 HA TRP A 75 43.797 97.784 85.370 1.00 0.00 H new ATOM 0 HB2 TRP A 75 41.256 98.069 86.364 1.00 0.00 H new ATOM 0 HB3 TRP A 75 40.985 96.673 85.339 1.00 0.00 H new ATOM 0 HD1 TRP A 75 43.381 97.814 88.157 1.00 0.00 H new ATOM 0 HE1 TRP A 75 44.125 95.753 89.527 1.00 0.00 H new ATOM 0 HE3 TRP A 75 41.134 94.162 85.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 43.769 92.895 89.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 41.349 91.778 86.033 1.00 0.00 H new ATOM 0 HH2 TRP A 75 42.662 91.141 88.039 1.00 0.00 H new ATOM 1090 N LEU A 76 43.935 96.993 82.887 1.00 18.07 N ATOM 1091 CA LEU A 76 44.083 96.157 81.658 1.00 17.96 C ATOM 1092 C LEU A 76 44.259 94.677 81.991 1.00 19.47 C ATOM 1093 O LEU A 76 45.227 94.275 82.608 1.00 20.57 O ATOM 1094 CB LEU A 76 45.330 96.692 80.951 1.00 16.79 C ATOM 1095 CG LEU A 76 44.923 97.763 79.937 1.00 17.27 C ATOM 1096 CD1 LEU A 76 46.174 98.373 79.312 1.00 13.86 C ATOM 1097 CD2 LEU A 76 44.071 97.129 78.834 1.00 15.14 C ATOM 0 H LEU A 76 44.672 97.683 83.031 1.00 18.07 H new ATOM 0 HA LEU A 76 43.190 96.221 81.036 1.00 17.96 H new ATOM 0 HB2 LEU A 76 46.023 97.112 81.681 1.00 16.79 H new ATOM 0 HB3 LEU A 76 45.852 95.879 80.447 1.00 16.79 H new ATOM 0 HG LEU A 76 44.348 98.538 80.444 1.00 17.27 H new ATOM 0 HD11 LEU A 76 45.885 99.136 78.589 1.00 13.86 H new ATOM 0 HD12 LEU A 76 46.787 98.825 80.092 1.00 13.86 H new ATOM 0 HD13 LEU A 76 46.746 97.594 78.808 1.00 13.86 H new ATOM 0 HD21 LEU A 76 43.782 97.893 78.113 1.00 15.14 H new ATOM 0 HD22 LEU A 76 44.647 96.353 78.330 1.00 15.14 H new ATOM 0 HD23 LEU A 76 43.176 96.688 79.273 1.00 15.14 H new ATOM 1109 N ARG A 77 43.337 93.862 81.548 1.00 0.00 N ATOM 1110 CA ARG A 77 43.441 92.396 81.788 1.00 0.00 C ATOM 1111 C ARG A 77 44.274 91.779 80.660 1.00 0.00 C ATOM 1112 O ARG A 77 44.404 92.377 79.607 1.00 0.00 O ATOM 1113 CB ARG A 77 42.000 91.883 81.746 1.00 0.00 C ATOM 1114 CG ARG A 77 41.338 92.106 83.107 1.00 0.00 C ATOM 1115 CD ARG A 77 40.307 91.005 83.362 1.00 0.00 C ATOM 1116 NE ARG A 77 39.295 91.167 82.283 1.00 0.00 N ATOM 1117 CZ ARG A 77 38.952 90.144 81.550 1.00 0.00 C ATOM 1118 NH1 ARG A 77 38.243 89.178 82.069 1.00 0.00 N ATOM 1119 NH2 ARG A 77 39.317 90.086 80.298 1.00 0.00 N ATOM 0 H ARG A 77 42.511 94.154 81.026 1.00 0.00 H new ATOM 0 HA ARG A 77 43.920 92.144 82.734 1.00 0.00 H new ATOM 0 HB2 ARG A 77 41.440 92.403 80.968 1.00 0.00 H new ATOM 0 HB3 ARG A 77 41.988 90.823 81.493 1.00 0.00 H new ATOM 0 HG2 ARG A 77 42.092 92.102 83.894 1.00 0.00 H new ATOM 0 HG3 ARG A 77 40.856 93.083 83.132 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.767 90.018 83.326 1.00 0.00 H new ATOM 0 HD3 ARG A 77 39.853 91.110 84.348 1.00 0.00 H new ATOM 0 HE ARG A 77 38.869 92.079 82.116 1.00 0.00 H new ATOM 0 HH11 ARG A 77 37.958 89.224 83.047 1.00 0.00 H new ATOM 0 HH12 ARG A 77 37.975 88.378 81.496 1.00 0.00 H new ATOM 0 HH21 ARG A 77 39.871 90.841 79.893 1.00 0.00 H new ATOM 0 HH22 ARG A 77 39.049 89.286 79.725 1.00 0.00 H new ATOM 1133 N PRO A 78 44.825 90.610 80.904 1.00 23.86 N ATOM 1134 CA PRO A 78 45.656 89.980 79.829 1.00 24.22 C ATOM 1135 C PRO A 78 44.863 89.862 78.517 1.00 24.36 C ATOM 1136 O PRO A 78 43.760 89.350 78.485 1.00 22.27 O ATOM 1137 CB PRO A 78 46.014 88.607 80.385 1.00 25.39 C ATOM 1138 CG PRO A 78 44.936 88.304 81.368 1.00 27.04 C ATOM 1139 CD PRO A 78 44.495 89.622 81.947 1.00 25.13 C ATOM 0 HA PRO A 78 46.540 90.569 79.586 1.00 24.22 H new ATOM 0 HB2 PRO A 78 46.051 87.857 79.595 1.00 25.39 H new ATOM 0 HB3 PRO A 78 46.994 88.616 80.862 1.00 25.39 H new ATOM 0 HG2 PRO A 78 44.102 87.796 80.884 1.00 27.04 H new ATOM 0 HG3 PRO A 78 45.302 87.640 82.151 1.00 27.04 H new ATOM 0 HD2 PRO A 78 43.428 89.621 82.170 1.00 25.13 H new ATOM 0 HD3 PRO A 78 45.015 89.840 82.880 1.00 25.13 H new ATOM 1147 N GLY A 79 45.438 90.334 77.438 1.00 24.74 N ATOM 1148 CA GLY A 79 44.750 90.258 76.116 1.00 23.79 C ATOM 1149 C GLY A 79 43.884 91.506 75.874 1.00 23.44 C ATOM 1150 O GLY A 79 43.504 91.787 74.753 1.00 22.44 O ATOM 0 H GLY A 79 46.360 90.771 77.418 1.00 24.74 H new ATOM 0 HA2 GLY A 79 45.490 90.165 75.321 1.00 23.79 H new ATOM 0 HA3 GLY A 79 44.126 89.365 76.077 1.00 23.79 H new ATOM 1154 N GLU A 80 43.569 92.260 76.905 1.00 23.31 N ATOM 1155 CA GLU A 80 42.730 93.486 76.713 1.00 21.90 C ATOM 1156 C GLU A 80 43.609 94.694 76.373 1.00 20.95 C ATOM 1157 O GLU A 80 44.815 94.660 76.528 1.00 19.52 O ATOM 1158 CB GLU A 80 42.015 93.701 78.046 1.00 23.06 C ATOM 1159 CG GLU A 80 40.969 92.603 78.250 1.00 23.88 C ATOM 1160 CD GLU A 80 39.868 92.742 77.197 1.00 27.44 C ATOM 1161 OE1 GLU A 80 39.232 93.783 77.168 1.00 25.91 O ATOM 1162 OE2 GLU A 80 39.680 91.806 76.438 1.00 29.38 O ATOM 0 H GLU A 80 43.856 92.078 77.867 1.00 23.31 H new ATOM 0 HA GLU A 80 42.026 93.369 75.889 1.00 21.90 H new ATOM 0 HB2 GLU A 80 42.736 93.687 78.863 1.00 23.06 H new ATOM 0 HB3 GLU A 80 41.537 94.680 78.060 1.00 23.06 H new ATOM 0 HG2 GLU A 80 41.437 91.622 78.174 1.00 23.88 H new ATOM 0 HG3 GLU A 80 40.541 92.675 79.250 1.00 23.88 H new ATOM 1169 N ALA A 81 43.005 95.760 75.907 1.00 0.00 N ATOM 1170 CA ALA A 81 43.790 96.979 75.547 1.00 0.00 C ATOM 1171 C ALA A 81 42.967 98.243 75.840 1.00 0.00 C ATOM 1172 O ALA A 81 41.754 98.235 75.758 1.00 0.00 O ATOM 1173 CB ALA A 81 44.064 96.850 74.049 1.00 0.00 C ATOM 0 H ALA A 81 41.999 95.837 75.760 1.00 0.00 H new ATOM 0 HA ALA A 81 44.713 97.060 76.121 1.00 0.00 H new ATOM 0 HB1 ALA A 81 44.639 97.711 73.709 1.00 0.00 H new ATOM 0 HB2 ALA A 81 44.631 95.938 73.860 1.00 0.00 H new ATOM 0 HB3 ALA A 81 43.118 96.808 73.508 1.00 0.00 H new ATOM 1179 N PHE A 82 43.624 99.329 76.163 1.00 18.56 N ATOM 1180 CA PHE A 82 42.897 100.604 76.445 1.00 17.00 C ATOM 1181 C PHE A 82 43.344 101.670 75.436 1.00 16.61 C ATOM 1182 O PHE A 82 44.478 101.664 74.995 1.00 15.77 O ATOM 1183 CB PHE A 82 43.308 100.991 77.867 1.00 13.41 C ATOM 1184 CG PHE A 82 42.626 102.281 78.262 1.00 12.03 C ATOM 1185 CD1 PHE A 82 43.244 103.510 78.003 1.00 12.24 C ATOM 1186 CD2 PHE A 82 41.373 102.246 78.885 1.00 10.24 C ATOM 1187 CE1 PHE A 82 42.610 104.703 78.368 1.00 8.77 C ATOM 1188 CE2 PHE A 82 40.738 103.439 79.251 1.00 10.01 C ATOM 1189 CZ PHE A 82 41.357 104.667 78.991 1.00 9.06 C ATOM 0 H PHE A 82 44.639 99.387 76.244 1.00 18.56 H new ATOM 0 HA PHE A 82 41.815 100.506 76.359 1.00 17.00 H new ATOM 0 HB2 PHE A 82 43.037 100.197 78.563 1.00 13.41 H new ATOM 0 HB3 PHE A 82 44.390 101.108 77.924 1.00 13.41 H new ATOM 0 HD1 PHE A 82 44.210 103.538 77.521 1.00 12.24 H new ATOM 0 HD2 PHE A 82 40.896 101.298 79.084 1.00 10.24 H new ATOM 0 HE1 PHE A 82 43.087 105.651 78.169 1.00 8.77 H new ATOM 0 HE2 PHE A 82 39.772 103.412 79.733 1.00 10.01 H new ATOM 0 HZ PHE A 82 40.867 105.588 79.271 1.00 9.06 H new ATOM 1199 N HIS A 83 42.474 102.577 75.059 1.00 0.00 N ATOM 1200 CA HIS A 83 42.877 103.627 74.071 1.00 0.00 C ATOM 1201 C HIS A 83 42.197 104.969 74.377 1.00 0.00 C ATOM 1202 O HIS A 83 41.034 105.021 74.733 1.00 0.00 O ATOM 1203 CB HIS A 83 42.425 103.089 72.706 1.00 0.00 C ATOM 1204 CG HIS A 83 40.936 102.851 72.708 1.00 0.00 C ATOM 1205 ND1 HIS A 83 40.028 103.850 72.395 1.00 0.00 N ATOM 1206 CD2 HIS A 83 40.187 101.733 72.982 1.00 0.00 C ATOM 1207 CE1 HIS A 83 38.794 103.318 72.487 1.00 0.00 C ATOM 1208 NE2 HIS A 83 38.835 102.030 72.842 1.00 0.00 N ATOM 0 H HIS A 83 41.511 102.636 75.389 1.00 0.00 H new ATOM 0 HA HIS A 83 43.950 103.816 74.103 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.686 103.800 71.922 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.949 102.160 72.481 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.587 100.770 73.263 1.00 0.00 H new ATOM 0 HE1 HIS A 83 37.883 103.865 72.297 1.00 0.00 H new ATOM 0 HE2 HIS A 83 38.045 101.400 72.981 1.00 0.00 H new ATOM 1216 N TYR A 84 42.916 106.053 74.217 1.00 21.96 N ATOM 1217 CA TYR A 84 42.326 107.403 74.470 1.00 22.81 C ATOM 1218 C TYR A 84 43.018 108.449 73.581 1.00 25.11 C ATOM 1219 O TYR A 84 44.107 108.224 73.086 1.00 26.65 O ATOM 1220 CB TYR A 84 42.548 107.683 75.966 1.00 19.35 C ATOM 1221 CG TYR A 84 44.023 107.820 76.278 1.00 16.39 C ATOM 1222 CD1 TYR A 84 44.781 106.687 76.593 1.00 12.01 C ATOM 1223 CD2 TYR A 84 44.626 109.084 76.262 1.00 15.59 C ATOM 1224 CE1 TYR A 84 46.142 106.816 76.890 1.00 9.20 C ATOM 1225 CE2 TYR A 84 45.988 109.213 76.561 1.00 14.00 C ATOM 1226 CZ TYR A 84 46.745 108.079 76.875 1.00 12.19 C ATOM 1227 OH TYR A 84 48.087 108.206 77.170 1.00 13.46 O ATOM 0 H TYR A 84 43.892 106.060 73.920 1.00 21.96 H new ATOM 0 HA TYR A 84 41.264 107.447 74.228 1.00 22.81 H new ATOM 0 HB2 TYR A 84 42.026 108.597 76.250 1.00 19.35 H new ATOM 0 HB3 TYR A 84 42.121 106.874 76.559 1.00 19.35 H new ATOM 0 HD1 TYR A 84 44.315 105.713 76.607 1.00 12.01 H new ATOM 0 HD2 TYR A 84 44.041 109.959 76.019 1.00 15.59 H new ATOM 0 HE1 TYR A 84 46.727 105.941 77.131 1.00 9.20 H new ATOM 0 HE2 TYR A 84 46.454 110.187 76.549 1.00 14.00 H new ATOM 0 HH TYR A 84 48.347 109.149 77.113 1.00 13.46 H new ATOM 1237 N THR A 85 42.391 109.578 73.367 1.00 26.58 N ATOM 1238 CA THR A 85 43.010 110.630 72.499 1.00 26.99 C ATOM 1239 C THR A 85 43.638 111.741 73.349 1.00 28.14 C ATOM 1240 O THR A 85 43.064 112.190 74.324 1.00 27.02 O ATOM 1241 CB THR A 85 41.854 111.184 71.664 1.00 26.65 C ATOM 1242 OG1 THR A 85 41.225 110.117 70.965 1.00 25.06 O ATOM 1243 CG2 THR A 85 42.390 112.207 70.661 1.00 21.76 C ATOM 0 H THR A 85 41.479 109.818 73.754 1.00 26.58 H new ATOM 0 HA THR A 85 43.810 110.225 71.879 1.00 26.99 H new ATOM 0 HB THR A 85 41.130 111.668 72.320 1.00 26.65 H new ATOM 0 HG1 THR A 85 40.483 110.469 70.430 1.00 25.06 H new ATOM 0 HG21 THR A 85 41.565 112.601 70.067 1.00 21.76 H new ATOM 0 HG22 THR A 85 42.873 113.024 71.197 1.00 21.76 H new ATOM 0 HG23 THR A 85 43.114 111.727 70.003 1.00 21.76 H new ATOM 1251 N SER A 86 44.816 112.183 72.981 1.00 29.06 N ATOM 1252 CA SER A 86 45.494 113.266 73.756 1.00 29.05 C ATOM 1253 C SER A 86 45.862 114.430 72.826 1.00 29.43 C ATOM 1254 O SER A 86 45.787 114.304 71.613 1.00 29.12 O ATOM 1255 CB SER A 86 46.756 112.612 74.307 1.00 29.12 C ATOM 1256 OG SER A 86 47.583 113.612 74.886 1.00 33.88 O ATOM 0 H SER A 86 45.338 111.839 72.175 1.00 29.06 H new ATOM 0 HA SER A 86 44.860 113.674 74.544 1.00 29.05 H new ATOM 0 HB2 SER A 86 46.495 111.861 75.053 1.00 29.12 H new ATOM 0 HB3 SER A 86 47.291 112.097 73.510 1.00 29.12 H new ATOM 0 HG SER A 86 48.486 113.546 74.512 1.00 33.88 H new ATOM 1262 N GLY A 87 46.271 115.554 73.368 1.00 29.08 N ATOM 1263 CA GLY A 87 46.645 116.711 72.495 1.00 29.89 C ATOM 1264 C GLY A 87 47.852 117.455 73.079 1.00 31.80 C ATOM 1265 O GLY A 87 47.826 117.919 74.203 1.00 31.40 O ATOM 0 H GLY A 87 46.361 115.719 74.371 1.00 29.08 H new ATOM 0 HA2 GLY A 87 46.880 116.356 71.491 1.00 29.89 H new ATOM 0 HA3 GLY A 87 45.800 117.393 72.403 1.00 29.89 H new ATOM 1269 N VAL A 88 48.905 117.581 72.310 1.00 0.00 N ATOM 1270 CA VAL A 88 50.126 118.305 72.789 1.00 0.00 C ATOM 1271 C VAL A 88 50.557 119.335 71.735 1.00 0.00 C ATOM 1272 O VAL A 88 50.302 119.175 70.557 1.00 0.00 O ATOM 1273 CB VAL A 88 51.199 117.219 72.968 1.00 0.00 C ATOM 1274 CG1 VAL A 88 52.544 117.860 73.329 1.00 0.00 C ATOM 1275 CG2 VAL A 88 50.785 116.274 74.098 1.00 0.00 C ATOM 0 H VAL A 88 48.973 117.210 71.362 1.00 0.00 H new ATOM 0 HA VAL A 88 49.955 118.847 73.719 1.00 0.00 H new ATOM 0 HB VAL A 88 51.298 116.667 72.034 1.00 0.00 H new ATOM 0 HG11 VAL A 88 53.296 117.081 73.453 1.00 0.00 H new ATOM 0 HG12 VAL A 88 52.850 118.537 72.531 1.00 0.00 H new ATOM 0 HG13 VAL A 88 52.443 118.419 74.259 1.00 0.00 H new ATOM 0 HG21 VAL A 88 51.546 115.504 74.225 1.00 0.00 H new ATOM 0 HG22 VAL A 88 50.682 116.838 75.025 1.00 0.00 H new ATOM 0 HG23 VAL A 88 49.832 115.806 73.850 1.00 0.00 H new ATOM 1285 N LEU A 89 51.204 120.394 72.159 1.00 0.00 N ATOM 1286 CA LEU A 89 51.648 121.442 71.191 1.00 0.00 C ATOM 1287 C LEU A 89 53.176 121.437 71.057 1.00 0.00 C ATOM 1288 O LEU A 89 53.890 121.207 72.016 1.00 0.00 O ATOM 1289 CB LEU A 89 51.166 122.763 71.795 1.00 0.00 C ATOM 1290 CG LEU A 89 51.113 123.837 70.707 1.00 0.00 C ATOM 1291 CD1 LEU A 89 50.183 124.967 71.152 1.00 0.00 C ATOM 1292 CD2 LEU A 89 52.520 124.399 70.471 1.00 0.00 C ATOM 0 H LEU A 89 51.443 120.576 73.134 1.00 0.00 H new ATOM 0 HA LEU A 89 51.246 121.276 70.191 1.00 0.00 H new ATOM 0 HB2 LEU A 89 50.179 122.632 72.239 1.00 0.00 H new ATOM 0 HB3 LEU A 89 51.837 123.075 72.595 1.00 0.00 H new ATOM 0 HG LEU A 89 50.738 123.398 69.783 1.00 0.00 H new ATOM 0 HD11 LEU A 89 50.145 125.733 70.377 1.00 0.00 H new ATOM 0 HD12 LEU A 89 49.182 124.570 71.319 1.00 0.00 H new ATOM 0 HD13 LEU A 89 50.559 125.405 72.077 1.00 0.00 H new ATOM 0 HD21 LEU A 89 52.481 125.164 69.696 1.00 0.00 H new ATOM 0 HD22 LEU A 89 52.896 124.838 71.395 1.00 0.00 H new ATOM 0 HD23 LEU A 89 53.184 123.595 70.154 1.00 0.00 H new ATOM 1304 N LEU A 90 53.677 121.685 69.873 1.00 37.85 N ATOM 1305 CA LEU A 90 55.158 121.690 69.666 1.00 36.74 C ATOM 1306 C LEU A 90 55.610 123.045 69.113 1.00 35.30 C ATOM 1307 O LEU A 90 54.886 123.696 68.382 1.00 35.10 O ATOM 1308 CB LEU A 90 55.419 120.584 68.645 1.00 38.41 C ATOM 1309 CG LEU A 90 55.247 119.220 69.317 1.00 38.68 C ATOM 1310 CD1 LEU A 90 55.263 118.120 68.254 1.00 37.80 C ATOM 1311 CD2 LEU A 90 56.394 118.994 70.305 1.00 38.08 C ATOM 0 H LEU A 90 53.124 121.885 69.040 1.00 37.85 H new ATOM 0 HA LEU A 90 55.705 121.526 70.595 1.00 36.74 H new ATOM 0 HB2 LEU A 90 54.729 120.678 67.806 1.00 38.41 H new ATOM 0 HB3 LEU A 90 56.427 120.678 68.241 1.00 38.41 H new ATOM 0 HG LEU A 90 54.296 119.193 69.849 1.00 38.68 H new ATOM 0 HD11 LEU A 90 55.140 117.149 68.734 1.00 37.80 H new ATOM 0 HD12 LEU A 90 54.447 118.283 67.550 1.00 37.80 H new ATOM 0 HD13 LEU A 90 56.213 118.144 67.720 1.00 37.80 H new ATOM 0 HD21 LEU A 90 56.274 118.023 70.785 1.00 38.08 H new ATOM 0 HD22 LEU A 90 57.344 119.020 69.772 1.00 38.08 H new ATOM 0 HD23 LEU A 90 56.381 119.778 71.063 1.00 38.08 H new ATOM 1323 N GLU A 91 56.797 123.480 69.458 1.00 0.00 N ATOM 1324 CA GLU A 91 57.293 124.797 68.952 1.00 0.00 C ATOM 1325 C GLU A 91 57.702 124.695 67.477 1.00 0.00 C ATOM 1326 O GLU A 91 57.690 125.677 66.759 1.00 0.00 O ATOM 1327 CB GLU A 91 58.509 125.128 69.820 1.00 0.00 C ATOM 1328 CG GLU A 91 58.953 126.567 69.550 1.00 0.00 C ATOM 1329 CD GLU A 91 57.880 127.538 70.049 1.00 0.00 C ATOM 1330 OE1 GLU A 91 57.251 127.231 71.050 1.00 0.00 O ATOM 1331 OE2 GLU A 91 57.705 128.570 69.423 1.00 0.00 O ATOM 0 H GLU A 91 57.444 122.980 70.068 1.00 0.00 H new ATOM 0 HA GLU A 91 56.524 125.567 69.011 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.261 125.005 70.874 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.324 124.438 69.601 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.900 126.766 70.052 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.121 126.712 68.483 1.00 0.00 H new ATOM 1338 N THR A 92 58.072 123.521 67.024 1.00 31.63 N ATOM 1339 CA THR A 92 58.491 123.368 65.595 1.00 28.98 C ATOM 1340 C THR A 92 57.677 122.268 64.902 1.00 28.33 C ATOM 1341 O THR A 92 56.899 121.570 65.526 1.00 29.20 O ATOM 1342 CB THR A 92 59.972 122.988 65.649 1.00 29.53 C ATOM 1343 OG1 THR A 92 60.123 121.785 66.393 1.00 29.23 O ATOM 1344 CG2 THR A 92 60.766 124.109 66.321 1.00 25.50 C ATOM 0 H THR A 92 58.102 122.666 67.579 1.00 31.63 H new ATOM 0 HA THR A 92 58.324 124.282 65.025 1.00 28.98 H new ATOM 0 HB THR A 92 60.346 122.840 64.636 1.00 29.53 H new ATOM 0 HG1 THR A 92 60.849 121.891 67.043 1.00 29.23 H new ATOM 0 HG21 THR A 92 61.821 123.836 66.358 1.00 25.50 H new ATOM 0 HG22 THR A 92 60.650 125.030 65.750 1.00 25.50 H new ATOM 0 HG23 THR A 92 60.395 124.261 67.334 1.00 25.50 H new ATOM 1352 N GLU A 93 57.843 122.128 63.610 1.00 0.00 N ATOM 1353 CA GLU A 93 57.075 121.092 62.851 1.00 0.00 C ATOM 1354 C GLU A 93 57.783 119.731 62.877 1.00 0.00 C ATOM 1355 O GLU A 93 57.416 118.834 62.140 1.00 0.00 O ATOM 1356 CB GLU A 93 57.021 121.619 61.416 1.00 0.00 C ATOM 1357 CG GLU A 93 56.245 122.937 61.381 1.00 0.00 C ATOM 1358 CD GLU A 93 56.186 123.473 59.943 1.00 0.00 C ATOM 1359 OE1 GLU A 93 57.040 123.104 59.152 1.00 0.00 O ATOM 1360 OE2 GLU A 93 55.287 124.248 59.661 1.00 0.00 O ATOM 0 H GLU A 93 58.481 122.689 63.045 1.00 0.00 H new ATOM 0 HA GLU A 93 56.088 120.935 63.286 1.00 0.00 H new ATOM 0 HB2 GLU A 93 58.031 121.770 61.035 1.00 0.00 H new ATOM 0 HB3 GLU A 93 56.542 120.886 60.767 1.00 0.00 H new ATOM 0 HG2 GLU A 93 55.236 122.785 61.763 1.00 0.00 H new ATOM 0 HG3 GLU A 93 56.725 123.669 62.031 1.00 0.00 H new ATOM 1367 N GLN A 94 58.783 119.559 63.708 1.00 0.00 N ATOM 1368 CA GLN A 94 59.488 118.242 63.756 1.00 0.00 C ATOM 1369 C GLN A 94 59.813 117.878 65.206 1.00 0.00 C ATOM 1370 O GLN A 94 60.073 118.750 66.016 1.00 0.00 O ATOM 1371 CB GLN A 94 60.774 118.454 62.957 1.00 0.00 C ATOM 1372 CG GLN A 94 60.435 118.609 61.474 1.00 0.00 C ATOM 1373 CD GLN A 94 61.722 118.823 60.674 1.00 0.00 C ATOM 1374 OE1 GLN A 94 62.617 119.516 61.114 1.00 0.00 O ATOM 1375 NE2 GLN A 94 61.853 118.251 59.508 1.00 0.00 N ATOM 0 H GLN A 94 59.138 120.268 64.350 1.00 0.00 H new ATOM 0 HA GLN A 94 58.884 117.431 63.348 1.00 0.00 H new ATOM 0 HB2 GLN A 94 61.295 119.341 63.316 1.00 0.00 H new ATOM 0 HB3 GLN A 94 61.447 117.609 63.100 1.00 0.00 H new ATOM 0 HG2 GLN A 94 59.915 117.721 61.115 1.00 0.00 H new ATOM 0 HG3 GLN A 94 59.761 119.453 61.331 1.00 0.00 H new ATOM 0 HE21 GLN A 94 61.101 117.669 59.138 1.00 0.00 H new ATOM 0 HE22 GLN A 94 62.707 118.386 58.967 1.00 0.00 H new ATOM 1384 N GLY A 95 59.812 116.608 65.551 1.00 27.89 N ATOM 1385 CA GLY A 95 60.136 116.243 66.965 1.00 28.05 C ATOM 1386 C GLY A 95 60.031 114.737 67.214 1.00 27.70 C ATOM 1387 O GLY A 95 59.368 114.009 66.501 1.00 25.89 O ATOM 0 H GLY A 95 59.605 115.827 64.928 1.00 27.89 H new ATOM 0 HA2 GLY A 95 61.145 116.579 67.203 1.00 28.05 H new ATOM 0 HA3 GLY A 95 59.459 116.769 67.638 1.00 28.05 H new ATOM 1391 N GLN A 96 60.689 114.284 68.251 1.00 0.00 N ATOM 1392 CA GLN A 96 60.662 112.835 68.617 1.00 0.00 C ATOM 1393 C GLN A 96 60.072 112.677 70.023 1.00 0.00 C ATOM 1394 O GLN A 96 60.486 113.350 70.949 1.00 0.00 O ATOM 1395 CB GLN A 96 62.131 112.392 68.625 1.00 0.00 C ATOM 1396 CG GLN A 96 62.775 112.680 67.266 1.00 0.00 C ATOM 1397 CD GLN A 96 64.076 111.886 67.139 1.00 0.00 C ATOM 1398 OE1 GLN A 96 64.909 111.917 68.023 1.00 0.00 O ATOM 1399 NE2 GLN A 96 64.287 111.170 66.069 1.00 0.00 N ATOM 0 H GLN A 96 61.253 114.867 68.870 1.00 0.00 H new ATOM 0 HA GLN A 96 60.059 112.246 67.926 1.00 0.00 H new ATOM 0 HB2 GLN A 96 62.673 112.917 69.412 1.00 0.00 H new ATOM 0 HB3 GLN A 96 62.197 111.327 68.849 1.00 0.00 H new ATOM 0 HG2 GLN A 96 62.091 112.408 66.462 1.00 0.00 H new ATOM 0 HG3 GLN A 96 62.976 113.747 67.166 1.00 0.00 H new ATOM 0 HE21 GLN A 96 63.588 111.144 65.327 1.00 0.00 H new ATOM 0 HE22 GLN A 96 65.151 110.636 65.975 1.00 0.00 H new ATOM 1408 N MET A 97 59.107 111.808 70.190 1.00 0.00 N ATOM 1409 CA MET A 97 58.489 111.630 71.541 1.00 0.00 C ATOM 1410 C MET A 97 58.534 110.162 71.980 1.00 0.00 C ATOM 1411 O MET A 97 57.918 109.306 71.375 1.00 0.00 O ATOM 1412 CB MET A 97 57.042 112.087 71.369 1.00 0.00 C ATOM 1413 CG MET A 97 57.003 113.603 71.167 1.00 0.00 C ATOM 1414 SD MET A 97 55.299 114.128 70.865 1.00 0.00 S ATOM 1415 CE MET A 97 54.667 113.828 72.534 1.00 0.00 C ATOM 0 H MET A 97 58.721 111.216 69.454 1.00 0.00 H new ATOM 0 HA MET A 97 59.019 112.196 72.307 1.00 0.00 H new ATOM 0 HB2 MET A 97 56.591 111.584 70.514 1.00 0.00 H new ATOM 0 HB3 MET A 97 56.456 111.812 72.246 1.00 0.00 H new ATOM 0 HG2 MET A 97 57.400 114.108 72.048 1.00 0.00 H new ATOM 0 HG3 MET A 97 57.636 113.885 70.326 1.00 0.00 H new ATOM 0 HE1 MET A 97 53.630 113.498 72.476 1.00 0.00 H new ATOM 0 HE2 MET A 97 55.267 113.057 73.017 1.00 0.00 H new ATOM 0 HE3 MET A 97 54.723 114.748 73.115 1.00 0.00 H new ATOM 1425 N GLN A 98 59.244 109.870 73.042 1.00 0.00 N ATOM 1426 CA GLN A 98 59.326 108.470 73.556 1.00 0.00 C ATOM 1427 C GLN A 98 59.028 108.494 75.056 1.00 0.00 C ATOM 1428 O GLN A 98 59.281 109.487 75.715 1.00 0.00 O ATOM 1429 CB GLN A 98 60.772 108.041 73.306 1.00 0.00 C ATOM 1430 CG GLN A 98 60.926 106.551 73.620 1.00 0.00 C ATOM 1431 CD GLN A 98 62.372 106.119 73.371 1.00 0.00 C ATOM 1432 OE1 GLN A 98 63.084 106.745 72.609 1.00 0.00 O ATOM 1433 NE2 GLN A 98 62.842 105.068 73.985 1.00 0.00 N ATOM 0 H GLN A 98 59.777 110.553 73.581 1.00 0.00 H new ATOM 0 HA GLN A 98 58.622 107.790 73.077 1.00 0.00 H new ATOM 0 HB2 GLN A 98 61.045 108.235 72.269 1.00 0.00 H new ATOM 0 HB3 GLN A 98 61.449 108.626 73.929 1.00 0.00 H new ATOM 0 HG2 GLN A 98 60.652 106.358 74.657 1.00 0.00 H new ATOM 0 HG3 GLN A 98 60.249 105.966 72.997 1.00 0.00 H new ATOM 0 HE21 GLN A 98 62.246 104.542 74.624 1.00 0.00 H new ATOM 0 HE22 GLN A 98 63.805 104.772 73.826 1.00 0.00 H new ATOM 1442 N GLY A 99 58.486 107.434 75.611 1.00 29.62 N ATOM 1443 CA GLY A 99 58.179 107.458 77.079 1.00 28.62 C ATOM 1444 C GLY A 99 57.820 106.062 77.579 1.00 28.62 C ATOM 1445 O GLY A 99 57.856 105.102 76.840 1.00 29.22 O ATOM 0 H GLY A 99 58.247 106.570 75.124 1.00 29.62 H new ATOM 0 HA2 GLY A 99 59.040 107.836 77.629 1.00 28.62 H new ATOM 0 HA3 GLY A 99 57.352 108.142 77.271 1.00 28.62 H new ATOM 1449 N HIS A 100 57.473 105.949 78.838 1.00 0.00 N ATOM 1450 CA HIS A 100 57.101 104.618 79.396 1.00 0.00 C ATOM 1451 C HIS A 100 55.908 104.739 80.358 1.00 0.00 C ATOM 1452 O HIS A 100 55.633 105.793 80.897 1.00 0.00 O ATOM 1453 CB HIS A 100 58.355 104.109 80.122 1.00 0.00 C ATOM 1454 CG HIS A 100 58.716 105.019 81.266 1.00 0.00 C ATOM 1455 ND1 HIS A 100 59.882 105.767 81.274 1.00 0.00 N ATOM 1456 CD2 HIS A 100 58.089 105.290 82.456 1.00 0.00 C ATOM 1457 CE1 HIS A 100 59.923 106.444 82.436 1.00 0.00 C ATOM 1458 NE2 HIS A 100 58.853 106.188 83.195 1.00 0.00 N ATOM 0 H HIS A 100 57.432 106.723 79.501 1.00 0.00 H new ATOM 0 HA HIS A 100 56.788 103.926 78.614 1.00 0.00 H new ATOM 0 HB2 HIS A 100 58.180 103.100 80.495 1.00 0.00 H new ATOM 0 HB3 HIS A 100 59.188 104.050 79.421 1.00 0.00 H new ATOM 0 HD2 HIS A 100 57.145 104.870 82.771 1.00 0.00 H new ATOM 0 HE1 HIS A 100 60.722 107.112 82.721 1.00 0.00 H new ATOM 0 HE2 HIS A 100 58.642 106.569 84.117 1.00 0.00 H new ATOM 1466 N TYR A 101 55.206 103.656 80.569 1.00 25.77 N ATOM 1467 CA TYR A 101 54.025 103.672 81.490 1.00 25.79 C ATOM 1468 C TYR A 101 54.296 102.762 82.690 1.00 26.52 C ATOM 1469 O TYR A 101 54.627 101.605 82.520 1.00 27.05 O ATOM 1470 CB TYR A 101 52.862 103.111 80.663 1.00 24.67 C ATOM 1471 CG TYR A 101 52.213 104.195 79.824 1.00 23.27 C ATOM 1472 CD1 TYR A 101 51.920 105.451 80.377 1.00 20.31 C ATOM 1473 CD2 TYR A 101 51.895 103.934 78.485 1.00 23.52 C ATOM 1474 CE1 TYR A 101 51.311 106.437 79.592 1.00 23.58 C ATOM 1475 CE2 TYR A 101 51.288 104.922 77.702 1.00 24.17 C ATOM 1476 CZ TYR A 101 50.996 106.173 78.255 1.00 23.58 C ATOM 1477 OH TYR A 101 50.393 107.144 77.485 1.00 25.91 O ATOM 0 H TYR A 101 55.401 102.752 80.139 1.00 25.77 H new ATOM 0 HA TYR A 101 53.812 104.671 81.871 1.00 25.79 H new ATOM 0 HB2 TYR A 101 53.225 102.314 80.014 1.00 24.67 H new ATOM 0 HB3 TYR A 101 52.120 102.668 81.328 1.00 24.67 H new ATOM 0 HD1 TYR A 101 52.164 105.657 81.409 1.00 20.31 H new ATOM 0 HD2 TYR A 101 52.119 102.968 78.056 1.00 23.52 H new ATOM 0 HE1 TYR A 101 51.084 107.403 80.019 1.00 23.58 H new ATOM 0 HE2 TYR A 101 51.045 104.718 76.670 1.00 24.17 H new ATOM 0 HH TYR A 101 49.481 107.299 77.809 1.00 25.91 H new ATOM 1487 N ASP A 102 54.126 103.244 83.898 1.00 0.00 N ATOM 1488 CA ASP A 102 54.345 102.364 85.085 1.00 0.00 C ATOM 1489 C ASP A 102 53.102 101.501 85.307 1.00 0.00 C ATOM 1490 O ASP A 102 51.996 101.993 85.422 1.00 0.00 O ATOM 1491 CB ASP A 102 54.587 103.308 86.265 1.00 0.00 C ATOM 1492 CG ASP A 102 55.024 102.498 87.489 1.00 0.00 C ATOM 1493 OD1 ASP A 102 54.569 101.374 87.627 1.00 0.00 O ATOM 1494 OD2 ASP A 102 55.804 103.018 88.269 1.00 0.00 O ATOM 0 H ASP A 102 53.847 104.202 84.111 1.00 0.00 H new ATOM 0 HA ASP A 102 55.190 101.687 84.957 1.00 0.00 H new ATOM 0 HB2 ASP A 102 55.353 104.039 86.008 1.00 0.00 H new ATOM 0 HB3 ASP A 102 53.678 103.865 86.491 1.00 0.00 H new ATOM 1499 N MET A 103 53.290 100.209 85.349 1.00 0.00 N ATOM 1500 CA MET A 103 52.142 99.273 85.542 1.00 0.00 C ATOM 1501 C MET A 103 52.388 98.363 86.747 1.00 0.00 C ATOM 1502 O MET A 103 53.505 98.219 87.213 1.00 0.00 O ATOM 1503 CB MET A 103 52.096 98.444 84.256 1.00 0.00 C ATOM 1504 CG MET A 103 51.860 99.369 83.058 1.00 0.00 C ATOM 1505 SD MET A 103 51.047 98.447 81.732 1.00 0.00 S ATOM 1506 CE MET A 103 49.438 98.263 82.537 1.00 0.00 C ATOM 0 H MET A 103 54.200 99.757 85.257 1.00 0.00 H new ATOM 0 HA MET A 103 51.208 99.802 85.731 1.00 0.00 H new ATOM 0 HB2 MET A 103 53.031 97.899 84.129 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.300 97.702 84.318 1.00 0.00 H new ATOM 0 HG2 MET A 103 51.243 100.217 83.356 1.00 0.00 H new ATOM 0 HG3 MET A 103 52.809 99.773 82.705 1.00 0.00 H new ATOM 0 HE1 MET A 103 48.715 97.872 81.821 1.00 0.00 H new ATOM 0 HE2 MET A 103 49.528 97.572 83.376 1.00 0.00 H new ATOM 0 HE3 MET A 103 49.100 99.233 82.901 1.00 0.00 H new ATOM 1516 N VAL A 104 51.349 97.749 87.252 1.00 21.01 N ATOM 1517 CA VAL A 104 51.507 96.840 88.431 1.00 21.69 C ATOM 1518 C VAL A 104 50.632 95.594 88.262 1.00 22.60 C ATOM 1519 O VAL A 104 49.445 95.689 88.013 1.00 22.32 O ATOM 1520 CB VAL A 104 51.041 97.648 89.655 1.00 22.67 C ATOM 1521 CG1 VAL A 104 52.085 98.713 89.991 1.00 23.22 C ATOM 1522 CG2 VAL A 104 49.688 98.320 89.378 1.00 23.28 C ATOM 0 H VAL A 104 50.396 97.837 86.899 1.00 21.01 H new ATOM 0 HA VAL A 104 52.538 96.504 88.539 1.00 21.69 H new ATOM 0 HB VAL A 104 50.924 96.968 90.499 1.00 22.67 H new ATOM 0 HG11 VAL A 104 51.755 99.285 90.858 1.00 23.22 H new ATOM 0 HG12 VAL A 104 53.037 98.231 90.215 1.00 23.22 H new ATOM 0 HG13 VAL A 104 52.209 99.383 89.140 1.00 23.22 H new ATOM 0 HG21 VAL A 104 49.376 98.886 90.256 1.00 23.28 H new ATOM 0 HG22 VAL A 104 49.784 98.994 88.527 1.00 23.28 H new ATOM 0 HG23 VAL A 104 48.942 97.557 89.155 1.00 23.28 H new ATOM 1532 N ALA A 105 51.210 94.429 88.406 1.00 0.00 N ATOM 1533 CA ALA A 105 50.417 93.168 88.269 1.00 0.00 C ATOM 1534 C ALA A 105 49.563 92.953 89.519 1.00 0.00 C ATOM 1535 O ALA A 105 49.731 93.630 90.517 1.00 0.00 O ATOM 1536 CB ALA A 105 51.456 92.055 88.132 1.00 0.00 C ATOM 0 H ALA A 105 52.200 94.295 88.613 1.00 0.00 H new ATOM 0 HA ALA A 105 49.739 93.195 87.416 1.00 0.00 H new ATOM 0 HB1 ALA A 105 50.950 91.095 88.027 1.00 0.00 H new ATOM 0 HB2 ALA A 105 52.072 92.239 87.252 1.00 0.00 H new ATOM 0 HB3 ALA A 105 52.088 92.036 89.020 1.00 0.00 H new ATOM 1542 N ASP A 106 48.646 92.017 89.472 1.00 0.00 N ATOM 1543 CA ASP A 106 47.777 91.765 90.665 1.00 0.00 C ATOM 1544 C ASP A 106 48.627 91.306 91.853 1.00 0.00 C ATOM 1545 O ASP A 106 48.305 91.573 92.995 1.00 0.00 O ATOM 1546 CB ASP A 106 46.819 90.651 90.240 1.00 0.00 C ATOM 1547 CG ASP A 106 45.627 91.257 89.501 1.00 0.00 C ATOM 1548 OD1 ASP A 106 45.824 92.234 88.798 1.00 0.00 O ATOM 1549 OD2 ASP A 106 44.535 90.733 89.650 1.00 0.00 O ATOM 0 H ASP A 106 48.462 91.420 88.665 1.00 0.00 H new ATOM 0 HA ASP A 106 47.245 92.664 90.977 1.00 0.00 H new ATOM 0 HB2 ASP A 106 47.335 89.939 89.596 1.00 0.00 H new ATOM 0 HB3 ASP A 106 46.475 90.099 91.115 1.00 0.00 H new ATOM 1554 N ASP A 107 49.706 90.611 91.591 1.00 0.00 N ATOM 1555 CA ASP A 107 50.576 90.123 92.707 1.00 0.00 C ATOM 1556 C ASP A 107 51.311 91.289 93.379 1.00 0.00 C ATOM 1557 O ASP A 107 51.836 91.147 94.467 1.00 0.00 O ATOM 1558 CB ASP A 107 51.578 89.172 92.048 1.00 0.00 C ATOM 1559 CG ASP A 107 50.857 87.899 91.595 1.00 0.00 C ATOM 1560 OD1 ASP A 107 49.919 87.501 92.266 1.00 0.00 O ATOM 1561 OD2 ASP A 107 51.258 87.344 90.585 1.00 0.00 O ATOM 0 H ASP A 107 50.022 90.360 90.654 1.00 0.00 H new ATOM 0 HA ASP A 107 49.993 89.632 93.486 1.00 0.00 H new ATOM 0 HB2 ASP A 107 52.049 89.659 91.194 1.00 0.00 H new ATOM 0 HB3 ASP A 107 52.373 88.921 92.750 1.00 0.00 H new ATOM 1566 N GLY A 108 51.354 92.436 92.745 1.00 30.43 N ATOM 1567 CA GLY A 108 52.059 93.601 93.355 1.00 29.11 C ATOM 1568 C GLY A 108 53.416 93.822 92.674 1.00 29.35 C ATOM 1569 O GLY A 108 54.103 94.784 92.959 1.00 30.17 O ATOM 0 H GLY A 108 50.932 92.613 91.834 1.00 30.43 H new ATOM 0 HA2 GLY A 108 51.446 94.497 93.257 1.00 29.11 H new ATOM 0 HA3 GLY A 108 52.204 93.429 94.421 1.00 29.11 H new ATOM 1573 N THR A 109 53.817 92.941 91.779 1.00 0.00 N ATOM 1574 CA THR A 109 55.139 93.117 91.093 1.00 0.00 C ATOM 1575 C THR A 109 55.182 94.470 90.374 1.00 0.00 C ATOM 1576 O THR A 109 54.231 94.859 89.720 1.00 0.00 O ATOM 1577 CB THR A 109 55.225 91.972 90.081 1.00 0.00 C ATOM 1578 OG1 THR A 109 54.977 90.739 90.744 1.00 0.00 O ATOM 1579 CG2 THR A 109 56.619 91.944 89.455 1.00 0.00 C ATOM 0 H THR A 109 53.289 92.115 91.498 1.00 0.00 H new ATOM 0 HA THR A 109 55.972 93.099 91.796 1.00 0.00 H new ATOM 0 HB THR A 109 54.482 92.122 89.298 1.00 0.00 H new ATOM 0 HG1 THR A 109 54.793 90.042 90.080 1.00 0.00 H new ATOM 0 HG21 THR A 109 56.678 91.128 88.735 1.00 0.00 H new ATOM 0 HG22 THR A 109 56.809 92.890 88.948 1.00 0.00 H new ATOM 0 HG23 THR A 109 57.365 91.794 90.235 1.00 0.00 H new ATOM 1587 N GLU A 110 56.267 95.190 90.495 1.00 0.00 N ATOM 1588 CA GLU A 110 56.360 96.521 89.823 1.00 0.00 C ATOM 1589 C GLU A 110 57.132 96.407 88.506 1.00 0.00 C ATOM 1590 O GLU A 110 58.125 95.710 88.415 1.00 0.00 O ATOM 1591 CB GLU A 110 57.107 97.416 90.812 1.00 0.00 C ATOM 1592 CG GLU A 110 56.213 97.702 92.020 1.00 0.00 C ATOM 1593 CD GLU A 110 55.017 98.548 91.582 1.00 0.00 C ATOM 1594 OE1 GLU A 110 55.198 99.393 90.720 1.00 0.00 O ATOM 1595 OE2 GLU A 110 53.940 98.337 92.114 1.00 0.00 O ATOM 0 H GLU A 110 57.091 94.915 91.029 1.00 0.00 H new ATOM 0 HA GLU A 110 55.378 96.922 89.573 1.00 0.00 H new ATOM 0 HB2 GLU A 110 58.027 96.930 91.135 1.00 0.00 H new ATOM 0 HB3 GLU A 110 57.393 98.350 90.329 1.00 0.00 H new ATOM 0 HG2 GLU A 110 55.868 96.766 92.460 1.00 0.00 H new ATOM 0 HG3 GLU A 110 56.780 98.226 92.789 1.00 0.00 H new ATOM 1602 N PHE A 111 56.682 97.098 87.491 1.00 27.41 N ATOM 1603 CA PHE A 111 57.380 97.054 86.171 1.00 27.50 C ATOM 1604 C PHE A 111 56.837 98.154 85.250 1.00 28.03 C ATOM 1605 O PHE A 111 55.684 98.535 85.333 1.00 27.72 O ATOM 1606 CB PHE A 111 57.112 95.648 85.606 1.00 26.12 C ATOM 1607 CG PHE A 111 55.649 95.481 85.248 1.00 24.47 C ATOM 1608 CD1 PHE A 111 54.741 95.014 86.205 1.00 23.96 C ATOM 1609 CD2 PHE A 111 55.207 95.787 83.955 1.00 25.33 C ATOM 1610 CE1 PHE A 111 53.392 94.855 85.869 1.00 24.08 C ATOM 1611 CE2 PHE A 111 53.858 95.627 83.620 1.00 24.17 C ATOM 1612 CZ PHE A 111 52.951 95.162 84.577 1.00 23.73 C ATOM 0 H PHE A 111 55.855 97.695 87.520 1.00 27.41 H new ATOM 0 HA PHE A 111 58.451 97.234 86.261 1.00 27.50 H new ATOM 0 HB2 PHE A 111 57.728 95.483 84.722 1.00 26.12 H new ATOM 0 HB3 PHE A 111 57.399 94.895 86.340 1.00 26.12 H new ATOM 0 HD1 PHE A 111 55.081 94.776 87.202 1.00 23.96 H new ATOM 0 HD2 PHE A 111 55.908 96.147 83.216 1.00 25.33 H new ATOM 0 HE1 PHE A 111 52.691 94.495 86.607 1.00 24.08 H new ATOM 0 HE2 PHE A 111 53.517 95.863 82.623 1.00 24.17 H new ATOM 0 HZ PHE A 111 51.909 95.040 84.319 1.00 23.73 H new ATOM 1622 N ILE A 112 57.669 98.667 84.383 1.00 0.00 N ATOM 1623 CA ILE A 112 57.226 99.751 83.456 1.00 0.00 C ATOM 1624 C ILE A 112 56.965 99.195 82.053 1.00 0.00 C ATOM 1625 O ILE A 112 57.489 98.166 81.672 1.00 0.00 O ATOM 1626 CB ILE A 112 58.377 100.766 83.436 1.00 0.00 C ATOM 1627 CG1 ILE A 112 59.666 100.092 82.946 1.00 0.00 C ATOM 1628 CG2 ILE A 112 58.599 101.314 84.846 1.00 0.00 C ATOM 1629 CD1 ILE A 112 60.670 101.164 82.520 1.00 0.00 C ATOM 0 H ILE A 112 58.642 98.381 84.276 1.00 0.00 H new ATOM 0 HA ILE A 112 56.292 100.207 83.785 1.00 0.00 H new ATOM 0 HB ILE A 112 58.119 101.581 82.760 1.00 0.00 H new ATOM 0 HG12 ILE A 112 60.090 99.475 83.738 1.00 0.00 H new ATOM 0 HG13 ILE A 112 59.447 99.430 82.108 1.00 0.00 H new ATOM 0 HG21 ILE A 112 59.416 102.035 84.832 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.689 101.804 85.193 1.00 0.00 H new ATOM 0 HG23 ILE A 112 58.850 100.495 85.520 1.00 0.00 H new ATOM 0 HD11 ILE A 112 61.586 100.687 82.172 1.00 0.00 H new ATOM 0 HD12 ILE A 112 60.244 101.762 81.715 1.00 0.00 H new ATOM 0 HD13 ILE A 112 60.897 101.808 83.370 1.00 0.00 H new ATOM 1641 N ALA A 113 56.174 99.890 81.279 1.00 0.00 N ATOM 1642 CA ALA A 113 55.881 99.444 79.887 1.00 0.00 C ATOM 1643 C ALA A 113 56.379 100.520 78.912 1.00 0.00 C ATOM 1644 O ALA A 113 55.720 101.522 78.710 1.00 0.00 O ATOM 1645 CB ALA A 113 54.359 99.303 79.817 1.00 0.00 C ATOM 0 H ALA A 113 55.714 100.757 81.556 1.00 0.00 H new ATOM 0 HA ALA A 113 56.371 98.506 79.626 1.00 0.00 H new ATOM 0 HB1 ALA A 113 54.069 98.977 78.818 1.00 0.00 H new ATOM 0 HB2 ALA A 113 54.028 98.567 80.549 1.00 0.00 H new ATOM 0 HB3 ALA A 113 53.894 100.265 80.034 1.00 0.00 H new ATOM 1651 N PRO A 114 57.547 100.286 78.357 1.00 31.26 N ATOM 1652 CA PRO A 114 58.118 101.296 77.422 1.00 32.26 C ATOM 1653 C PRO A 114 57.198 101.570 76.227 1.00 31.77 C ATOM 1654 O PRO A 114 56.563 100.689 75.681 1.00 33.24 O ATOM 1655 CB PRO A 114 59.431 100.679 76.954 1.00 32.64 C ATOM 1656 CG PRO A 114 59.243 99.214 77.125 1.00 33.31 C ATOM 1657 CD PRO A 114 58.333 99.035 78.305 1.00 32.61 C ATOM 0 HA PRO A 114 58.248 102.261 77.912 1.00 32.26 H new ATOM 0 HB2 PRO A 114 59.639 100.933 75.915 1.00 32.64 H new ATOM 0 HB3 PRO A 114 60.272 101.042 77.545 1.00 32.64 H new ATOM 0 HG2 PRO A 114 58.808 98.772 76.229 1.00 33.31 H new ATOM 0 HG3 PRO A 114 60.199 98.717 77.293 1.00 33.31 H new ATOM 0 HD2 PRO A 114 57.688 98.165 78.181 1.00 32.61 H new ATOM 0 HD3 PRO A 114 58.899 98.883 79.224 1.00 32.61 H new ATOM 1665 N ILE A 115 57.163 102.811 75.823 1.00 30.59 N ATOM 1666 CA ILE A 115 56.335 103.231 74.655 1.00 30.04 C ATOM 1667 C ILE A 115 57.270 103.565 73.495 1.00 30.45 C ATOM 1668 O ILE A 115 58.154 104.398 73.619 1.00 30.15 O ATOM 1669 CB ILE A 115 55.576 104.484 75.104 1.00 29.44 C ATOM 1670 CG1 ILE A 115 54.758 104.175 76.364 1.00 29.23 C ATOM 1671 CG2 ILE A 115 54.632 104.933 73.986 1.00 25.80 C ATOM 1672 CD1 ILE A 115 54.206 105.478 76.946 1.00 28.50 C ATOM 0 H ILE A 115 57.685 103.568 76.263 1.00 30.59 H new ATOM 0 HA ILE A 115 55.643 102.454 74.330 1.00 30.04 H new ATOM 0 HB ILE A 115 56.291 105.277 75.325 1.00 29.44 H new ATOM 0 HG12 ILE A 115 53.940 103.497 76.122 1.00 29.23 H new ATOM 0 HG13 ILE A 115 55.382 103.671 77.101 1.00 29.23 H new ATOM 0 HG21 ILE A 115 54.091 105.824 74.303 1.00 25.80 H new ATOM 0 HG22 ILE A 115 55.210 105.159 73.090 1.00 25.80 H new ATOM 0 HG23 ILE A 115 53.922 104.136 73.768 1.00 25.80 H new ATOM 0 HD11 ILE A 115 53.625 105.259 77.842 1.00 28.50 H new ATOM 0 HD12 ILE A 115 55.032 106.141 77.203 1.00 28.50 H new ATOM 0 HD13 ILE A 115 53.567 105.964 76.209 1.00 28.50 H new ATOM 1684 N ALA A 116 57.080 102.915 72.371 1.00 30.78 N ATOM 1685 CA ALA A 116 57.956 103.161 71.180 1.00 29.78 C ATOM 1686 C ALA A 116 58.063 104.654 70.866 1.00 29.57 C ATOM 1687 O ALA A 116 57.114 105.400 71.020 1.00 28.51 O ATOM 1688 CB ALA A 116 57.269 102.428 70.026 1.00 27.76 C ATOM 0 H ALA A 116 56.349 102.218 72.226 1.00 30.78 H new ATOM 0 HA ALA A 116 58.973 102.810 71.354 1.00 29.78 H new ATOM 0 HB1 ALA A 116 57.851 102.560 69.114 1.00 27.76 H new ATOM 0 HB2 ALA A 116 57.198 101.366 70.261 1.00 27.76 H new ATOM 0 HB3 ALA A 116 56.268 102.835 69.881 1.00 27.76 H new ATOM 1694 N ALA A 117 59.214 105.091 70.427 1.00 0.00 N ATOM 1695 CA ALA A 117 59.399 106.532 70.098 1.00 0.00 C ATOM 1696 C ALA A 117 58.952 106.807 68.661 1.00 0.00 C ATOM 1697 O ALA A 117 59.472 106.236 67.720 1.00 0.00 O ATOM 1698 CB ALA A 117 60.899 106.782 70.246 1.00 0.00 C ATOM 0 H ALA A 117 60.038 104.507 70.282 1.00 0.00 H new ATOM 0 HA ALA A 117 58.810 107.182 70.745 1.00 0.00 H new ATOM 0 HB1 ALA A 117 61.118 107.825 70.020 1.00 0.00 H new ATOM 0 HB2 ALA A 117 61.206 106.560 71.268 1.00 0.00 H new ATOM 0 HB3 ALA A 117 61.445 106.139 69.556 1.00 0.00 H new ATOM 1704 N PHE A 118 58.008 107.692 68.488 1.00 29.64 N ATOM 1705 CA PHE A 118 57.533 108.035 67.116 1.00 29.08 C ATOM 1706 C PHE A 118 58.001 109.448 66.772 1.00 30.66 C ATOM 1707 O PHE A 118 58.397 110.200 67.644 1.00 30.55 O ATOM 1708 CB PHE A 118 56.001 107.945 67.157 1.00 25.73 C ATOM 1709 CG PHE A 118 55.443 108.839 68.241 1.00 23.37 C ATOM 1710 CD1 PHE A 118 55.201 110.192 67.978 1.00 22.18 C ATOM 1711 CD2 PHE A 118 55.160 108.311 69.507 1.00 22.99 C ATOM 1712 CE1 PHE A 118 54.678 111.017 68.980 1.00 21.08 C ATOM 1713 CE2 PHE A 118 54.635 109.137 70.509 1.00 21.66 C ATOM 1714 CZ PHE A 118 54.395 110.490 70.245 1.00 21.66 C ATOM 0 H PHE A 118 57.542 108.196 69.243 1.00 29.64 H new ATOM 0 HA PHE A 118 57.927 107.363 66.354 1.00 29.08 H new ATOM 0 HB2 PHE A 118 55.589 108.235 66.191 1.00 25.73 H new ATOM 0 HB3 PHE A 118 55.697 106.914 67.336 1.00 25.73 H new ATOM 0 HD1 PHE A 118 55.418 110.599 67.002 1.00 22.18 H new ATOM 0 HD2 PHE A 118 55.347 107.267 69.711 1.00 22.99 H new ATOM 0 HE1 PHE A 118 54.493 112.061 68.777 1.00 21.08 H new ATOM 0 HE2 PHE A 118 54.416 108.730 71.485 1.00 21.66 H new ATOM 0 HZ PHE A 118 53.991 111.128 71.018 1.00 21.66 H new ATOM 1724 N VAL A 119 57.971 109.821 65.517 1.00 0.00 N ATOM 1725 CA VAL A 119 58.426 111.190 65.136 1.00 0.00 C ATOM 1726 C VAL A 119 57.258 112.005 64.570 1.00 0.00 C ATOM 1727 O VAL A 119 56.305 111.464 64.043 1.00 0.00 O ATOM 1728 CB VAL A 119 59.512 110.966 64.074 1.00 0.00 C ATOM 1729 CG1 VAL A 119 58.925 110.219 62.872 1.00 0.00 C ATOM 1730 CG2 VAL A 119 60.066 112.318 63.612 1.00 0.00 C ATOM 0 H VAL A 119 57.652 109.238 64.743 1.00 0.00 H new ATOM 0 HA VAL A 119 58.807 111.753 65.989 1.00 0.00 H new ATOM 0 HB VAL A 119 60.315 110.370 64.508 1.00 0.00 H new ATOM 0 HG11 VAL A 119 59.703 110.065 62.124 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.538 109.253 63.197 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.116 110.807 62.438 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.837 112.157 62.858 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.260 112.915 63.185 1.00 0.00 H new ATOM 0 HG23 VAL A 119 60.496 112.845 64.464 1.00 0.00 H new ATOM 1740 N LEU A 120 57.341 113.305 64.671 1.00 36.62 N ATOM 1741 CA LEU A 120 56.256 114.176 64.138 1.00 37.66 C ATOM 1742 C LEU A 120 56.792 114.992 62.963 1.00 38.64 C ATOM 1743 O LEU A 120 57.863 115.561 63.034 1.00 37.83 O ATOM 1744 CB LEU A 120 55.849 115.103 65.292 1.00 38.14 C ATOM 1745 CG LEU A 120 55.118 114.311 66.386 1.00 37.94 C ATOM 1746 CD1 LEU A 120 56.113 113.447 67.166 1.00 39.15 C ATOM 1747 CD2 LEU A 120 54.426 115.286 67.345 1.00 37.30 C ATOM 0 H LEU A 120 58.119 113.803 65.103 1.00 36.62 H new ATOM 0 HA LEU A 120 55.404 113.597 63.782 1.00 37.66 H new ATOM 0 HB2 LEU A 120 56.734 115.582 65.711 1.00 38.14 H new ATOM 0 HB3 LEU A 120 55.204 115.898 64.918 1.00 38.14 H new ATOM 0 HG LEU A 120 54.375 113.664 65.920 1.00 37.94 H new ATOM 0 HD11 LEU A 120 55.583 112.890 67.939 1.00 39.15 H new ATOM 0 HD12 LEU A 120 56.600 112.749 66.485 1.00 39.15 H new ATOM 0 HD13 LEU A 120 56.864 114.086 67.630 1.00 39.15 H new ATOM 0 HD21 LEU A 120 53.907 114.725 68.122 1.00 37.30 H new ATOM 0 HD22 LEU A 120 55.171 115.936 67.803 1.00 37.30 H new ATOM 0 HD23 LEU A 120 53.707 115.891 66.793 1.00 37.30 H new ATOM 1759 N SER A 121 56.055 115.045 61.882 1.00 0.00 N ATOM 1760 CA SER A 121 56.514 115.819 60.690 1.00 0.00 C ATOM 1761 C SER A 121 55.308 116.269 59.860 1.00 0.00 C ATOM 1762 O SER A 121 55.331 117.306 59.227 1.00 0.00 O ATOM 1763 CB SER A 121 57.380 114.843 59.894 1.00 0.00 C ATOM 1764 OG SER A 121 58.182 115.572 58.973 1.00 0.00 O ATOM 0 H SER A 121 55.152 114.583 61.774 1.00 0.00 H new ATOM 0 HA SER A 121 57.064 116.718 60.966 1.00 0.00 H new ATOM 0 HB2 SER A 121 58.013 114.267 60.569 1.00 0.00 H new ATOM 0 HB3 SER A 121 56.750 114.131 59.361 1.00 0.00 H new ATOM 0 HG SER A 121 58.740 114.950 58.461 1.00 0.00 H new