USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 796 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 117 CYS SG : rot -77:sc= 1.14 USER MOD Set 1.2: A 121 THR OG1 : rot -29:sc= 1.49 USER MOD Set 2.1: A 99 ASN : amide:sc= 0.245 K(o=0.76,f=-5!) USER MOD Set 2.2: A 101 THR OG1 : rot 30:sc= 0.51 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.169 USER MOD Single : A 10 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 14 ASN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.45) USER MOD Single : A 39 HIS : no HD1:sc=-0.00994 X(o=-0.0099,f=-0.011) USER MOD Single : A 40 GLN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 67:sc= 0.504 USER MOD Single : A 50 GLN : amide:sc= 0.164 K(o=0.16,f=-0.57) USER MOD Single : A 54 SER OG : rot 180:sc= 0.393 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot -91:sc= 0.823 USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 1.04 (180deg=1.03) USER MOD Single : A 98 GLN : amide:sc= -0.412 K(o=-0.41,f=-5.5!) USER MOD Single : A 102 MET CE :methyl -173:sc= -0.647 (180deg=-0.72) USER MOD Single : A 119 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.45) USER MOD Single : A 124 SER OG : rot 180:sc= 0.412 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.7!) USER MOD Single : A 134 THR OG1 : rot -62:sc= 0.965 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 82.799 52.847 43.401 1.00 54.22 N ATOM 35 CA HIS A 3 81.815 52.097 42.636 1.00 31.45 C ATOM 36 C HIS A 3 82.471 50.899 41.943 1.00 41.13 C ATOM 37 O HIS A 3 83.613 50.989 41.495 1.00 73.30 O ATOM 38 CB HIS A 3 81.147 53.024 41.614 1.00 74.14 C ATOM 39 CG HIS A 3 80.059 52.342 40.824 1.00 75.35 C ATOM 40 ND1 HIS A 3 80.271 51.820 39.557 1.00 51.20 N ATOM 41 CD2 HIS A 3 78.749 52.053 41.121 1.00 75.10 C ATOM 42 CE1 HIS A 3 79.114 51.269 39.154 1.00 23.33 C ATOM 43 NE2 HIS A 3 78.144 51.378 40.065 1.00 64.50 N ATOM 0 HA HIS A 3 81.052 51.711 43.312 1.00 31.45 H new ATOM 0 HB2 HIS A 3 80.726 53.885 42.133 1.00 74.14 H new ATOM 0 HB3 HIS A 3 81.903 53.404 40.927 1.00 74.14 H new ATOM 0 HD2 HIS A 3 78.257 52.314 42.046 1.00 75.10 H new ATOM 0 HE1 HIS A 3 78.982 50.789 38.195 1.00 23.33 H new ATOM 0 HE2 HIS A 3 77.182 51.044 40.002 1.00 64.50 H new ATOM 51 N ASN A 4 81.735 49.784 41.859 1.00 51.11 N ATOM 52 CA ASN A 4 82.183 48.541 41.243 1.00 31.22 C ATOM 53 C ASN A 4 81.130 48.054 40.248 1.00 20.35 C ATOM 54 O ASN A 4 79.978 48.484 40.294 1.00 42.14 O ATOM 55 CB ASN A 4 82.426 47.481 42.327 1.00 20.41 C ATOM 56 CG ASN A 4 83.418 47.938 43.397 1.00 35.34 C ATOM 57 OD1 ASN A 4 83.073 48.005 44.574 1.00 73.54 O ATOM 58 ND2 ASN A 4 84.652 48.248 42.997 1.00 24.43 N ATOM 0 H ASN A 4 80.786 49.726 42.229 1.00 51.11 H new ATOM 0 HA ASN A 4 83.118 48.715 40.710 1.00 31.22 H new ATOM 0 HB2 ASN A 4 81.477 47.231 42.802 1.00 20.41 H new ATOM 0 HB3 ASN A 4 82.799 46.570 41.859 1.00 20.41 H new ATOM 0 HD21 ASN A 4 85.347 48.553 43.678 1.00 24.43 H new ATOM 0 HD22 ASN A 4 84.900 48.180 42.010 1.00 24.43 H new ATOM 65 N SER A 5 81.531 47.146 39.351 1.00 21.31 N ATOM 66 CA SER A 5 80.650 46.560 38.349 1.00 21.13 C ATOM 67 C SER A 5 79.613 45.640 39.004 1.00 0.24 C ATOM 68 O SER A 5 78.430 45.726 38.684 1.00 11.42 O ATOM 69 CB SER A 5 81.489 45.805 37.311 1.00 3.15 C ATOM 70 OG SER A 5 80.668 45.343 36.259 1.00 71.43 O ATOM 0 H SER A 5 82.488 46.797 39.305 1.00 21.31 H new ATOM 0 HA SER A 5 80.102 47.356 37.844 1.00 21.13 H new ATOM 0 HB2 SER A 5 82.265 46.460 36.915 1.00 3.15 H new ATOM 0 HB3 SER A 5 81.994 44.963 37.784 1.00 3.15 H new ATOM 0 HG SER A 5 81.216 44.864 35.603 1.00 71.43 H new ATOM 76 N ILE A 6 80.071 44.768 39.915 1.00 73.12 N ATOM 77 CA ILE A 6 79.256 43.802 40.646 1.00 41.45 C ATOM 78 C ILE A 6 78.594 42.833 39.657 1.00 5.21 C ATOM 79 O ILE A 6 77.394 42.911 39.401 1.00 41.32 O ATOM 80 CB ILE A 6 78.264 44.500 41.608 1.00 23.13 C ATOM 81 CG1 ILE A 6 79.005 45.540 42.472 1.00 2.30 C ATOM 82 CG2 ILE A 6 77.580 43.459 42.510 1.00 63.54 C ATOM 83 CD1 ILE A 6 78.120 46.223 43.520 1.00 15.44 C ATOM 0 H ILE A 6 81.058 44.719 40.168 1.00 73.12 H new ATOM 0 HA ILE A 6 79.894 43.204 41.297 1.00 41.45 H new ATOM 0 HB ILE A 6 77.503 45.010 41.017 1.00 23.13 H new ATOM 0 HG12 ILE A 6 79.837 45.051 42.978 1.00 2.30 H new ATOM 0 HG13 ILE A 6 79.432 46.302 41.819 1.00 2.30 H new ATOM 0 HG21 ILE A 6 76.885 43.961 43.182 1.00 63.54 H new ATOM 0 HG22 ILE A 6 77.036 42.744 41.893 1.00 63.54 H new ATOM 0 HG23 ILE A 6 78.334 42.933 43.095 1.00 63.54 H new ATOM 0 HD11 ILE A 6 78.714 46.940 44.087 1.00 15.44 H new ATOM 0 HD12 ILE A 6 77.302 46.743 43.022 1.00 15.44 H new ATOM 0 HD13 ILE A 6 77.714 45.472 44.198 1.00 15.44 H new ATOM 95 N ARG A 7 79.403 41.928 39.089 1.00 63.41 N ATOM 96 CA ARG A 7 78.981 40.916 38.126 1.00 64.22 C ATOM 97 C ARG A 7 79.791 39.638 38.356 1.00 23.32 C ATOM 98 O ARG A 7 80.845 39.679 38.991 1.00 50.50 O ATOM 99 CB ARG A 7 79.188 41.427 36.691 1.00 71.21 C ATOM 100 CG ARG A 7 78.340 42.667 36.383 1.00 15.01 C ATOM 101 CD ARG A 7 78.509 43.089 34.923 1.00 73.34 C ATOM 102 NE ARG A 7 77.758 44.319 34.647 1.00 13.31 N ATOM 103 CZ ARG A 7 77.814 45.014 33.499 1.00 4.04 C ATOM 104 NH1 ARG A 7 78.605 44.611 32.493 1.00 74.33 N ATOM 105 NH2 ARG A 7 77.071 46.120 33.358 1.00 34.43 N ATOM 0 H ARG A 7 80.400 41.884 39.298 1.00 63.41 H new ATOM 0 HA ARG A 7 77.921 40.704 38.263 1.00 64.22 H new ATOM 0 HB2 ARG A 7 80.241 41.664 36.541 1.00 71.21 H new ATOM 0 HB3 ARG A 7 78.937 40.634 35.986 1.00 71.21 H new ATOM 0 HG2 ARG A 7 77.290 42.455 36.586 1.00 15.01 H new ATOM 0 HG3 ARG A 7 78.633 43.486 37.040 1.00 15.01 H new ATOM 0 HD2 ARG A 7 79.565 43.246 34.705 1.00 73.34 H new ATOM 0 HD3 ARG A 7 78.163 42.291 34.266 1.00 73.34 H new ATOM 0 HE ARG A 7 77.147 44.673 35.383 1.00 13.31 H new ATOM 0 HH11 ARG A 7 79.172 43.769 32.596 1.00 74.33 H new ATOM 0 HH12 ARG A 7 78.640 45.147 31.626 1.00 74.33 H new ATOM 0 HH21 ARG A 7 76.468 46.430 34.120 1.00 34.43 H new ATOM 0 HH22 ARG A 7 77.109 46.652 32.489 1.00 34.43 H new ATOM 119 N SER A 8 79.299 38.504 37.840 1.00 11.15 N ATOM 120 CA SER A 8 79.948 37.205 37.969 1.00 20.12 C ATOM 121 C SER A 8 79.413 36.242 36.899 1.00 32.40 C ATOM 122 O SER A 8 78.675 36.649 36.003 1.00 4.13 O ATOM 123 CB SER A 8 79.728 36.658 39.388 1.00 42.04 C ATOM 124 OG SER A 8 80.595 35.572 39.645 1.00 74.51 O ATOM 0 H SER A 8 78.426 38.469 37.314 1.00 11.15 H new ATOM 0 HA SER A 8 81.021 37.310 37.811 1.00 20.12 H new ATOM 0 HB2 SER A 8 79.901 37.448 40.119 1.00 42.04 H new ATOM 0 HB3 SER A 8 78.692 36.338 39.503 1.00 42.04 H new ATOM 0 HG SER A 8 80.441 35.239 40.554 1.00 74.51 H new ATOM 130 N GLY A 9 79.794 34.963 37.006 1.00 32.31 N ATOM 131 CA GLY A 9 79.387 33.899 36.097 1.00 14.55 C ATOM 132 C GLY A 9 77.979 33.386 36.402 1.00 54.22 C ATOM 133 O GLY A 9 77.292 33.902 37.284 1.00 10.42 O ATOM 0 H GLY A 9 80.411 34.637 37.750 1.00 32.31 H new ATOM 0 HA2 GLY A 9 79.424 34.266 35.071 1.00 14.55 H new ATOM 0 HA3 GLY A 9 80.096 33.074 36.166 1.00 14.55 H new ATOM 137 N HIS A 10 77.556 32.355 35.659 1.00 10.42 N ATOM 138 CA HIS A 10 76.246 31.730 35.782 1.00 35.45 C ATOM 139 C HIS A 10 76.312 30.290 35.264 1.00 2.53 C ATOM 140 O HIS A 10 77.195 29.947 34.479 1.00 61.13 O ATOM 141 CB HIS A 10 75.215 32.555 34.997 1.00 2.31 C ATOM 142 CG HIS A 10 73.826 31.968 34.995 1.00 14.04 C ATOM 143 ND1 HIS A 10 73.019 31.947 36.122 1.00 44.23 N ATOM 144 CD2 HIS A 10 73.097 31.332 34.017 1.00 53.12 C ATOM 145 CE1 HIS A 10 71.876 31.324 35.784 1.00 53.44 C ATOM 146 NE2 HIS A 10 71.863 30.923 34.511 1.00 50.23 N ATOM 0 H HIS A 10 78.136 31.926 34.938 1.00 10.42 H new ATOM 0 HA HIS A 10 75.942 31.701 36.828 1.00 35.45 H new ATOM 0 HB2 HIS A 10 75.172 33.559 35.419 1.00 2.31 H new ATOM 0 HB3 HIS A 10 75.556 32.657 33.967 1.00 2.31 H new ATOM 0 HD2 HIS A 10 73.436 31.172 33.004 1.00 53.12 H new ATOM 0 HE1 HIS A 10 71.056 31.165 36.469 1.00 53.44 H new ATOM 0 HE2 HIS A 10 71.120 30.431 34.015 1.00 50.23 H new ATOM 154 N GLY A 11 75.360 29.460 35.702 1.00 33.44 N ATOM 155 CA GLY A 11 75.149 28.104 35.226 1.00 62.12 C ATOM 156 C GLY A 11 73.683 27.726 35.439 1.00 44.12 C ATOM 157 O GLY A 11 73.012 28.308 36.291 1.00 73.14 O ATOM 0 H GLY A 11 74.694 29.732 36.425 1.00 33.44 H new ATOM 0 HA2 GLY A 11 75.407 28.031 34.170 1.00 62.12 H new ATOM 0 HA3 GLY A 11 75.798 27.411 35.761 1.00 62.12 H new ATOM 161 N GLY A 12 73.187 26.762 34.655 1.00 0.44 N ATOM 162 CA GLY A 12 71.797 26.330 34.693 1.00 3.10 C ATOM 163 C GLY A 12 71.677 24.918 34.128 1.00 53.24 C ATOM 164 O GLY A 12 71.099 24.720 33.060 1.00 45.00 O ATOM 0 H GLY A 12 73.751 26.258 33.971 1.00 0.44 H new ATOM 0 HA2 GLY A 12 71.428 26.354 35.718 1.00 3.10 H new ATOM 0 HA3 GLY A 12 71.178 27.016 34.115 1.00 3.10 H new ATOM 168 N LEU A 13 72.238 23.940 34.849 1.00 50.32 N ATOM 169 CA LEU A 13 72.276 22.543 34.437 1.00 1.11 C ATOM 170 C LEU A 13 70.860 21.969 34.443 1.00 43.32 C ATOM 171 O LEU A 13 70.194 21.983 35.477 1.00 13.34 O ATOM 172 CB LEU A 13 73.224 21.784 35.380 1.00 33.34 C ATOM 173 CG LEU A 13 73.533 20.315 35.032 1.00 44.42 C ATOM 174 CD1 LEU A 13 72.406 19.340 35.397 1.00 51.31 C ATOM 175 CD2 LEU A 13 73.940 20.129 33.566 1.00 61.43 C ATOM 0 H LEU A 13 72.685 24.107 35.751 1.00 50.32 H new ATOM 0 HA LEU A 13 72.656 22.442 33.420 1.00 1.11 H new ATOM 0 HB2 LEU A 13 74.168 22.328 35.420 1.00 33.34 H new ATOM 0 HB3 LEU A 13 72.797 21.812 36.383 1.00 33.34 H new ATOM 0 HG LEU A 13 74.387 20.064 35.661 1.00 44.42 H new ATOM 0 HD11 LEU A 13 72.698 18.327 35.122 1.00 51.31 H new ATOM 0 HD12 LEU A 13 72.219 19.385 36.470 1.00 51.31 H new ATOM 0 HD13 LEU A 13 71.499 19.615 34.859 1.00 51.31 H new ATOM 0 HD21 LEU A 13 74.146 19.076 33.376 1.00 61.43 H new ATOM 0 HD22 LEU A 13 73.129 20.462 32.918 1.00 61.43 H new ATOM 0 HD23 LEU A 13 74.835 20.717 33.359 1.00 61.43 H new ATOM 187 N ASN A 14 70.401 21.474 33.286 1.00 22.21 N ATOM 188 CA ASN A 14 69.074 20.896 33.119 1.00 72.53 C ATOM 189 C ASN A 14 69.080 19.848 32.002 1.00 64.03 C ATOM 190 O ASN A 14 70.023 19.778 31.215 1.00 12.42 O ATOM 191 CB ASN A 14 68.049 22.004 32.836 1.00 71.34 C ATOM 192 CG ASN A 14 68.201 22.599 31.436 1.00 42.00 C ATOM 193 OD1 ASN A 14 67.481 22.214 30.518 1.00 61.23 O ATOM 194 ND2 ASN A 14 69.133 23.540 31.264 1.00 22.05 N ATOM 0 H ASN A 14 70.955 21.467 32.430 1.00 22.21 H new ATOM 0 HA ASN A 14 68.788 20.394 34.043 1.00 72.53 H new ATOM 0 HB2 ASN A 14 67.043 21.601 32.948 1.00 71.34 H new ATOM 0 HB3 ASN A 14 68.160 22.795 33.577 1.00 71.34 H new ATOM 0 HD21 ASN A 14 69.266 23.965 30.346 1.00 22.05 H new ATOM 0 HD22 ASN A 14 69.712 23.834 32.051 1.00 22.05 H new ATOM 201 N GLN A 15 68.011 19.047 31.939 1.00 31.01 N ATOM 202 CA GLN A 15 67.772 18.041 30.911 1.00 14.12 C ATOM 203 C GLN A 15 66.269 17.755 30.840 1.00 71.35 C ATOM 204 O GLN A 15 65.539 18.080 31.777 1.00 42.31 O ATOM 205 CB GLN A 15 68.583 16.769 31.203 1.00 2.30 C ATOM 206 CG GLN A 15 68.231 16.136 32.558 1.00 22.54 C ATOM 207 CD GLN A 15 69.057 14.879 32.819 1.00 5.22 C ATOM 208 OE1 GLN A 15 69.957 14.886 33.654 1.00 60.31 O ATOM 209 NE2 GLN A 15 68.746 13.791 32.111 1.00 53.20 N ATOM 0 H GLN A 15 67.263 19.087 32.631 1.00 31.01 H new ATOM 0 HA GLN A 15 68.103 18.412 29.941 1.00 14.12 H new ATOM 0 HB2 GLN A 15 68.407 16.041 30.411 1.00 2.30 H new ATOM 0 HB3 GLN A 15 69.646 17.009 31.185 1.00 2.30 H new ATOM 0 HG2 GLN A 15 68.405 16.859 33.355 1.00 22.54 H new ATOM 0 HG3 GLN A 15 67.170 15.887 32.580 1.00 22.54 H new ATOM 0 HE21 GLN A 15 67.991 13.827 31.426 1.00 53.20 H new ATOM 0 HE22 GLN A 15 69.264 12.924 32.255 1.00 53.20 H new ATOM 218 N LEU A 16 65.802 17.168 29.731 1.00 2.35 N ATOM 219 CA LEU A 16 64.381 16.948 29.487 1.00 50.12 C ATOM 220 C LEU A 16 64.201 15.778 28.513 1.00 42.43 C ATOM 221 O LEU A 16 64.460 15.923 27.320 1.00 51.14 O ATOM 222 CB LEU A 16 63.759 18.256 28.965 1.00 5.14 C ATOM 223 CG LEU A 16 62.226 18.336 29.076 1.00 45.34 C ATOM 224 CD1 LEU A 16 61.782 19.758 28.714 1.00 13.55 C ATOM 225 CD2 LEU A 16 61.501 17.340 28.161 1.00 0.13 C ATOM 0 H LEU A 16 66.405 16.833 28.979 1.00 2.35 H new ATOM 0 HA LEU A 16 63.864 16.677 30.408 1.00 50.12 H new ATOM 0 HB2 LEU A 16 64.192 19.092 29.515 1.00 5.14 H new ATOM 0 HB3 LEU A 16 64.040 18.382 27.919 1.00 5.14 H new ATOM 0 HG LEU A 16 61.961 18.079 30.102 1.00 45.34 H new ATOM 0 HD11 LEU A 16 60.697 19.830 28.788 1.00 13.55 H new ATOM 0 HD12 LEU A 16 62.241 20.469 29.402 1.00 13.55 H new ATOM 0 HD13 LEU A 16 62.092 19.988 27.695 1.00 13.55 H new ATOM 0 HD21 LEU A 16 60.424 17.448 28.287 1.00 0.13 H new ATOM 0 HD22 LEU A 16 61.767 17.540 27.123 1.00 0.13 H new ATOM 0 HD23 LEU A 16 61.797 16.324 28.422 1.00 0.13 H new ATOM 375 N PRO A 27 48.367 17.241 25.654 1.00 15.12 N ATOM 376 CA PRO A 27 46.978 17.685 25.597 1.00 63.54 C ATOM 377 C PRO A 27 46.200 16.951 24.498 1.00 3.22 C ATOM 378 O PRO A 27 46.787 16.171 23.753 1.00 11.23 O ATOM 379 CB PRO A 27 47.072 19.181 25.294 1.00 73.15 C ATOM 380 CG PRO A 27 48.262 19.238 24.340 1.00 33.34 C ATOM 381 CD PRO A 27 49.200 18.162 24.887 1.00 42.04 C ATOM 0 HA PRO A 27 46.443 17.478 26.524 1.00 63.54 H new ATOM 0 HB2 PRO A 27 46.161 19.562 24.833 1.00 73.15 H new ATOM 0 HB3 PRO A 27 47.243 19.770 26.195 1.00 73.15 H new ATOM 0 HG2 PRO A 27 47.965 19.029 23.312 1.00 33.34 H new ATOM 0 HG3 PRO A 27 48.733 20.221 24.342 1.00 33.34 H new ATOM 0 HD2 PRO A 27 49.709 17.642 24.076 1.00 42.04 H new ATOM 0 HD3 PRO A 27 49.972 18.604 25.517 1.00 42.04 H new ATOM 389 N GLU A 28 44.889 17.241 24.424 1.00 71.23 N ATOM 390 CA GLU A 28 43.852 16.779 23.495 1.00 35.12 C ATOM 391 C GLU A 28 44.185 15.546 22.643 1.00 61.25 C ATOM 392 O GLU A 28 43.622 14.479 22.874 1.00 2.14 O ATOM 393 CB GLU A 28 43.318 17.958 22.671 1.00 60.32 C ATOM 394 CG GLU A 28 41.809 17.819 22.422 1.00 2.22 C ATOM 395 CD GLU A 28 41.425 16.661 21.501 1.00 52.25 C ATOM 396 OE1 GLU A 28 42.132 16.453 20.492 1.00 63.23 O ATOM 397 OE2 GLU A 28 40.410 15.998 21.807 1.00 3.41 O ATOM 0 H GLU A 28 44.485 17.887 25.102 1.00 71.23 H new ATOM 0 HA GLU A 28 43.055 16.391 24.130 1.00 35.12 H new ATOM 0 HB2 GLU A 28 43.519 18.893 23.195 1.00 60.32 H new ATOM 0 HB3 GLU A 28 43.844 18.008 21.718 1.00 60.32 H new ATOM 0 HG2 GLU A 28 41.306 17.688 23.380 1.00 2.22 H new ATOM 0 HG3 GLU A 28 41.437 18.749 21.991 1.00 2.22 H new ATOM 404 N VAL A 29 45.078 15.693 21.654 1.00 50.34 N ATOM 405 CA VAL A 29 45.490 14.639 20.731 1.00 4.01 C ATOM 406 C VAL A 29 46.040 13.387 21.437 1.00 1.41 C ATOM 407 O VAL A 29 46.030 12.308 20.850 1.00 61.23 O ATOM 408 CB VAL A 29 46.470 15.224 19.697 1.00 4.55 C ATOM 409 CG1 VAL A 29 47.789 15.671 20.340 1.00 23.01 C ATOM 410 CG2 VAL A 29 46.758 14.236 18.559 1.00 12.52 C ATOM 0 H VAL A 29 45.546 16.581 21.473 1.00 50.34 H new ATOM 0 HA VAL A 29 44.603 14.280 20.208 1.00 4.01 H new ATOM 0 HB VAL A 29 45.977 16.102 19.279 1.00 4.55 H new ATOM 0 HG11 VAL A 29 48.449 16.077 19.573 1.00 23.01 H new ATOM 0 HG12 VAL A 29 47.588 16.438 21.088 1.00 23.01 H new ATOM 0 HG13 VAL A 29 48.269 14.817 20.817 1.00 23.01 H new ATOM 0 HG21 VAL A 29 47.453 14.688 17.852 1.00 12.52 H new ATOM 0 HG22 VAL A 29 47.197 13.327 18.969 1.00 12.52 H new ATOM 0 HG23 VAL A 29 45.828 13.990 18.046 1.00 12.52 H new ATOM 420 N VAL A 30 46.469 13.507 22.703 1.00 34.23 N ATOM 421 CA VAL A 30 46.771 12.395 23.604 1.00 74.33 C ATOM 422 C VAL A 30 45.687 11.312 23.553 1.00 31.12 C ATOM 423 O VAL A 30 46.007 10.127 23.611 1.00 34.34 O ATOM 424 CB VAL A 30 46.985 12.940 25.030 1.00 14.14 C ATOM 425 CG1 VAL A 30 45.704 13.526 25.644 1.00 13.01 C ATOM 426 CG2 VAL A 30 47.540 11.863 25.969 1.00 10.21 C ATOM 0 H VAL A 30 46.619 14.417 23.139 1.00 34.23 H new ATOM 0 HA VAL A 30 47.691 11.911 23.276 1.00 74.33 H new ATOM 0 HB VAL A 30 47.713 13.745 24.926 1.00 14.14 H new ATOM 0 HG11 VAL A 30 45.917 13.894 26.648 1.00 13.01 H new ATOM 0 HG12 VAL A 30 45.347 14.349 25.024 1.00 13.01 H new ATOM 0 HG13 VAL A 30 44.938 12.752 25.696 1.00 13.01 H new ATOM 0 HG21 VAL A 30 47.678 12.284 26.965 1.00 10.21 H new ATOM 0 HG22 VAL A 30 46.839 11.030 26.021 1.00 10.21 H new ATOM 0 HG23 VAL A 30 48.498 11.508 25.590 1.00 10.21 H new ATOM 436 N ARG A 31 44.421 11.726 23.393 1.00 33.32 N ATOM 437 CA ARG A 31 43.270 10.880 23.110 1.00 50.45 C ATOM 438 C ARG A 31 43.607 9.771 22.115 1.00 34.43 C ATOM 439 O ARG A 31 43.333 8.608 22.390 1.00 64.24 O ATOM 440 CB ARG A 31 42.144 11.767 22.573 1.00 12.22 C ATOM 441 CG ARG A 31 40.908 10.994 22.102 1.00 53.04 C ATOM 442 CD ARG A 31 39.705 11.943 21.999 1.00 51.41 C ATOM 443 NE ARG A 31 40.023 13.147 21.216 1.00 61.04 N ATOM 444 CZ ARG A 31 40.093 13.211 19.876 1.00 32.42 C ATOM 445 NH1 ARG A 31 39.732 12.168 19.117 1.00 25.34 N ATOM 446 NH2 ARG A 31 40.539 14.330 19.292 1.00 51.21 N ATOM 0 H ARG A 31 44.168 12.712 23.463 1.00 33.32 H new ATOM 0 HA ARG A 31 42.957 10.386 24.029 1.00 50.45 H new ATOM 0 HB2 ARG A 31 41.845 12.468 23.352 1.00 12.22 H new ATOM 0 HB3 ARG A 31 42.527 12.359 21.742 1.00 12.22 H new ATOM 0 HG2 ARG A 31 41.103 10.534 21.133 1.00 53.04 H new ATOM 0 HG3 ARG A 31 40.686 10.186 22.799 1.00 53.04 H new ATOM 0 HD2 ARG A 31 38.868 11.420 21.537 1.00 51.41 H new ATOM 0 HD3 ARG A 31 39.385 12.234 23.000 1.00 51.41 H new ATOM 0 HE ARG A 31 40.206 14.006 21.734 1.00 61.04 H new ATOM 0 HH11 ARG A 31 39.398 11.310 19.555 1.00 25.34 H new ATOM 0 HH12 ARG A 31 39.791 12.232 18.101 1.00 25.34 H new ATOM 0 HH21 ARG A 31 40.823 15.126 19.864 1.00 51.21 H new ATOM 0 HH22 ARG A 31 40.595 14.387 18.275 1.00 51.21 H new ATOM 460 N GLN A 32 44.207 10.128 20.974 1.00 2.21 N ATOM 461 CA GLN A 32 44.571 9.182 19.928 1.00 21.24 C ATOM 462 C GLN A 32 45.501 8.094 20.462 1.00 10.14 C ATOM 463 O GLN A 32 45.322 6.929 20.121 1.00 42.34 O ATOM 464 CB GLN A 32 45.229 9.898 18.738 1.00 53.32 C ATOM 465 CG GLN A 32 44.303 10.894 18.029 1.00 51.12 C ATOM 466 CD GLN A 32 43.017 10.245 17.550 1.00 13.40 C ATOM 467 OE1 GLN A 32 41.948 10.482 18.108 1.00 62.52 O ATOM 468 NE2 GLN A 32 43.115 9.419 16.513 1.00 23.51 N ATOM 0 H GLN A 32 44.454 11.093 20.754 1.00 2.21 H new ATOM 0 HA GLN A 32 43.650 8.710 19.585 1.00 21.24 H new ATOM 0 HB2 GLN A 32 46.116 10.426 19.088 1.00 53.32 H new ATOM 0 HB3 GLN A 32 45.566 9.152 18.018 1.00 53.32 H new ATOM 0 HG2 GLN A 32 44.063 11.711 18.709 1.00 51.12 H new ATOM 0 HG3 GLN A 32 44.826 11.330 17.178 1.00 51.12 H new ATOM 0 HE21 GLN A 32 44.023 9.250 16.079 1.00 23.51 H new ATOM 0 HE22 GLN A 32 42.283 8.954 16.151 1.00 23.51 H new ATOM 477 N ARG A 33 46.483 8.462 21.295 1.00 74.33 N ATOM 478 CA ARG A 33 47.423 7.507 21.861 1.00 50.24 C ATOM 479 C ARG A 33 46.707 6.539 22.805 1.00 22.24 C ATOM 480 O ARG A 33 46.919 5.334 22.704 1.00 23.30 O ATOM 481 CB ARG A 33 48.600 8.221 22.542 1.00 61.44 C ATOM 482 CG ARG A 33 49.336 9.125 21.542 1.00 4.34 C ATOM 483 CD ARG A 33 50.733 9.529 22.025 1.00 61.14 C ATOM 484 NE ARG A 33 50.694 10.388 23.222 1.00 71.42 N ATOM 485 CZ ARG A 33 51.079 10.042 24.464 1.00 41.11 C ATOM 486 NH1 ARG A 33 51.366 8.770 24.775 1.00 64.13 N ATOM 487 NH2 ARG A 33 51.183 10.986 25.409 1.00 4.43 N ATOM 0 H ARG A 33 46.641 9.426 21.589 1.00 74.33 H new ATOM 0 HA ARG A 33 47.844 6.915 21.048 1.00 50.24 H new ATOM 0 HB2 ARG A 33 48.236 8.817 23.379 1.00 61.44 H new ATOM 0 HB3 ARG A 33 49.291 7.484 22.952 1.00 61.44 H new ATOM 0 HG2 ARG A 33 49.422 8.608 20.586 1.00 4.34 H new ATOM 0 HG3 ARG A 33 48.743 10.023 21.366 1.00 4.34 H new ATOM 0 HD2 ARG A 33 51.311 8.631 22.246 1.00 61.14 H new ATOM 0 HD3 ARG A 33 51.253 10.053 21.223 1.00 61.14 H new ATOM 0 HE ARG A 33 50.341 11.337 23.097 1.00 71.42 H new ATOM 0 HH11 ARG A 33 51.294 8.042 24.064 1.00 64.13 H new ATOM 0 HH12 ARG A 33 51.656 8.530 25.723 1.00 64.13 H new ATOM 0 HH21 ARG A 33 50.971 11.958 25.184 1.00 4.43 H new ATOM 0 HH22 ARG A 33 51.474 10.733 26.353 1.00 4.43 H new ATOM 501 N ILE A 34 45.845 7.047 23.697 1.00 54.14 N ATOM 502 CA ILE A 34 45.078 6.197 24.606 1.00 43.33 C ATOM 503 C ILE A 34 44.172 5.239 23.823 1.00 75.15 C ATOM 504 O ILE A 34 44.156 4.040 24.102 1.00 34.41 O ATOM 505 CB ILE A 34 44.262 7.040 25.608 1.00 34.30 C ATOM 506 CG1 ILE A 34 45.099 8.089 26.360 1.00 14.25 C ATOM 507 CG2 ILE A 34 43.552 6.120 26.610 1.00 53.13 C ATOM 508 CD1 ILE A 34 46.357 7.528 27.025 1.00 53.51 C ATOM 0 H ILE A 34 45.664 8.045 23.805 1.00 54.14 H new ATOM 0 HA ILE A 34 45.785 5.599 25.180 1.00 43.33 H new ATOM 0 HB ILE A 34 43.532 7.595 25.019 1.00 34.30 H new ATOM 0 HG12 ILE A 34 45.390 8.874 25.662 1.00 14.25 H new ATOM 0 HG13 ILE A 34 44.476 8.556 27.123 1.00 14.25 H new ATOM 0 HG21 ILE A 34 42.978 6.723 27.314 1.00 53.13 H new ATOM 0 HG22 ILE A 34 42.880 5.449 26.075 1.00 53.13 H new ATOM 0 HG23 ILE A 34 44.293 5.534 27.154 1.00 53.13 H new ATOM 0 HD11 ILE A 34 46.889 8.332 27.533 1.00 53.51 H new ATOM 0 HD12 ILE A 34 46.076 6.764 27.750 1.00 53.51 H new ATOM 0 HD13 ILE A 34 47.004 7.087 26.266 1.00 53.51 H new ATOM 520 N VAL A 35 43.428 5.769 22.844 1.00 60.20 N ATOM 521 CA VAL A 35 42.529 5.004 21.991 1.00 62.21 C ATOM 522 C VAL A 35 43.301 3.895 21.281 1.00 0.22 C ATOM 523 O VAL A 35 42.938 2.733 21.415 1.00 23.32 O ATOM 524 CB VAL A 35 41.812 5.943 20.999 1.00 12.44 C ATOM 525 CG1 VAL A 35 41.082 5.170 19.893 1.00 62.03 C ATOM 526 CG2 VAL A 35 40.779 6.804 21.736 1.00 71.23 C ATOM 0 H VAL A 35 43.439 6.765 22.623 1.00 60.20 H new ATOM 0 HA VAL A 35 41.761 4.529 22.601 1.00 62.21 H new ATOM 0 HB VAL A 35 42.584 6.564 20.545 1.00 12.44 H new ATOM 0 HG11 VAL A 35 40.593 5.874 19.220 1.00 62.03 H new ATOM 0 HG12 VAL A 35 41.800 4.571 19.333 1.00 62.03 H new ATOM 0 HG13 VAL A 35 40.334 4.515 20.340 1.00 62.03 H new ATOM 0 HG21 VAL A 35 40.280 7.462 21.025 1.00 71.23 H new ATOM 0 HG22 VAL A 35 40.041 6.159 22.213 1.00 71.23 H new ATOM 0 HG23 VAL A 35 41.281 7.404 22.495 1.00 71.23 H new ATOM 536 N ASP A 36 44.357 4.250 20.541 1.00 30.11 N ATOM 537 CA ASP A 36 45.185 3.323 19.779 1.00 14.41 C ATOM 538 C ASP A 36 45.733 2.208 20.671 1.00 0.03 C ATOM 539 O ASP A 36 45.602 1.027 20.352 1.00 62.51 O ATOM 540 CB ASP A 36 46.331 4.103 19.125 1.00 43.43 C ATOM 541 CG ASP A 36 47.260 3.182 18.342 1.00 72.42 C ATOM 542 OD1 ASP A 36 46.861 2.792 17.223 1.00 12.42 O ATOM 543 OD2 ASP A 36 48.348 2.881 18.878 1.00 24.21 O ATOM 0 H ASP A 36 44.664 5.219 20.457 1.00 30.11 H new ATOM 0 HA ASP A 36 44.575 2.852 19.009 1.00 14.41 H new ATOM 0 HB2 ASP A 36 45.922 4.861 18.457 1.00 43.43 H new ATOM 0 HB3 ASP A 36 46.900 4.628 19.893 1.00 43.43 H new ATOM 548 N LEU A 37 46.345 2.602 21.791 1.00 11.22 N ATOM 549 CA LEU A 37 46.950 1.696 22.752 1.00 21.01 C ATOM 550 C LEU A 37 45.922 0.678 23.243 1.00 30.51 C ATOM 551 O LEU A 37 46.159 -0.521 23.137 1.00 0.12 O ATOM 552 CB LEU A 37 47.546 2.525 23.899 1.00 4.52 C ATOM 553 CG LEU A 37 48.339 1.717 24.936 1.00 40.15 C ATOM 554 CD1 LEU A 37 49.706 1.296 24.387 1.00 33.12 C ATOM 555 CD2 LEU A 37 48.564 2.605 26.164 1.00 45.32 C ATOM 0 H LEU A 37 46.432 3.584 22.054 1.00 11.22 H new ATOM 0 HA LEU A 37 47.754 1.126 22.286 1.00 21.01 H new ATOM 0 HB2 LEU A 37 48.201 3.287 23.475 1.00 4.52 H new ATOM 0 HB3 LEU A 37 46.737 3.048 24.409 1.00 4.52 H new ATOM 0 HG LEU A 37 47.774 0.819 25.187 1.00 40.15 H new ATOM 0 HD11 LEU A 37 50.243 0.726 25.145 1.00 33.12 H new ATOM 0 HD12 LEU A 37 49.567 0.679 23.499 1.00 33.12 H new ATOM 0 HD13 LEU A 37 50.282 2.184 24.125 1.00 33.12 H new ATOM 0 HD21 LEU A 37 49.126 2.051 26.916 1.00 45.32 H new ATOM 0 HD22 LEU A 37 49.125 3.493 25.873 1.00 45.32 H new ATOM 0 HD23 LEU A 37 47.601 2.903 26.579 1.00 45.32 H new ATOM 567 N ALA A 38 44.776 1.142 23.750 1.00 11.55 N ATOM 568 CA ALA A 38 43.705 0.262 24.204 1.00 11.23 C ATOM 569 C ALA A 38 43.146 -0.601 23.067 1.00 71.32 C ATOM 570 O ALA A 38 42.828 -1.770 23.282 1.00 43.20 O ATOM 571 CB ALA A 38 42.595 1.100 24.840 1.00 14.50 C ATOM 0 H ALA A 38 44.569 2.135 23.855 1.00 11.55 H new ATOM 0 HA ALA A 38 44.119 -0.422 24.945 1.00 11.23 H new ATOM 0 HB1 ALA A 38 41.793 0.444 25.180 1.00 14.50 H new ATOM 0 HB2 ALA A 38 42.997 1.652 25.689 1.00 14.50 H new ATOM 0 HB3 ALA A 38 42.202 1.802 24.104 1.00 14.50 H new ATOM 577 N HIS A 39 43.024 -0.023 21.865 1.00 1.20 N ATOM 578 CA HIS A 39 42.420 -0.644 20.693 1.00 31.55 C ATOM 579 C HIS A 39 43.183 -1.886 20.226 1.00 1.21 C ATOM 580 O HIS A 39 42.572 -2.761 19.613 1.00 44.23 O ATOM 581 CB HIS A 39 42.278 0.391 19.568 1.00 51.30 C ATOM 582 CG HIS A 39 41.727 -0.165 18.280 1.00 25.53 C ATOM 583 ND1 HIS A 39 42.540 -0.488 17.204 1.00 41.35 N ATOM 584 CD2 HIS A 39 40.450 -0.472 17.875 1.00 71.15 C ATOM 585 CE1 HIS A 39 41.744 -0.963 16.231 1.00 14.30 C ATOM 586 NE2 HIS A 39 40.455 -0.975 16.578 1.00 62.54 N ATOM 0 H HIS A 39 43.357 0.924 21.682 1.00 1.20 H new ATOM 0 HA HIS A 39 41.427 -0.994 20.976 1.00 31.55 H new ATOM 0 HB2 HIS A 39 41.627 1.196 19.910 1.00 51.30 H new ATOM 0 HB3 HIS A 39 43.255 0.833 19.371 1.00 51.30 H new ATOM 0 HD2 HIS A 39 39.565 -0.341 18.480 1.00 71.15 H new ATOM 0 HE1 HIS A 39 42.108 -1.299 15.271 1.00 14.30 H new ATOM 0 HE2 HIS A 39 39.658 -1.282 16.021 1.00 62.54 H new ATOM 594 N GLN A 40 44.486 -2.001 20.527 1.00 42.11 N ATOM 595 CA GLN A 40 45.226 -3.223 20.223 1.00 14.51 C ATOM 596 C GLN A 40 44.619 -4.439 20.942 1.00 21.34 C ATOM 597 O GLN A 40 44.773 -5.566 20.473 1.00 42.52 O ATOM 598 CB GLN A 40 46.721 -3.042 20.536 1.00 4.11 C ATOM 599 CG GLN A 40 47.089 -3.414 21.977 1.00 64.31 C ATOM 600 CD GLN A 40 48.529 -3.033 22.307 1.00 62.55 C ATOM 601 OE1 GLN A 40 49.438 -3.848 22.170 1.00 32.32 O ATOM 602 NE2 GLN A 40 48.739 -1.795 22.752 1.00 22.51 N ATOM 0 H GLN A 40 45.038 -1.269 20.975 1.00 42.11 H new ATOM 0 HA GLN A 40 45.140 -3.422 19.155 1.00 14.51 H new ATOM 0 HB2 GLN A 40 47.305 -3.655 19.850 1.00 4.11 H new ATOM 0 HB3 GLN A 40 47.000 -2.004 20.354 1.00 4.11 H new ATOM 0 HG2 GLN A 40 46.412 -2.911 22.667 1.00 64.31 H new ATOM 0 HG3 GLN A 40 46.954 -4.486 22.122 1.00 64.31 H new ATOM 0 HE21 GLN A 40 47.956 -1.149 22.851 1.00 22.51 H new ATOM 0 HE22 GLN A 40 49.683 -1.493 22.993 1.00 22.51 H new ATOM 611 N GLY A 41 43.942 -4.209 22.077 1.00 53.33 N ATOM 612 CA GLY A 41 43.348 -5.240 22.907 1.00 22.22 C ATOM 613 C GLY A 41 44.376 -5.695 23.934 1.00 53.50 C ATOM 614 O GLY A 41 44.927 -6.788 23.813 1.00 31.34 O ATOM 0 H GLY A 41 43.795 -3.269 22.444 1.00 53.33 H new ATOM 0 HA2 GLY A 41 42.459 -4.856 23.407 1.00 22.22 H new ATOM 0 HA3 GLY A 41 43.030 -6.082 22.293 1.00 22.22 H new ATOM 618 N VAL A 42 44.646 -4.836 24.925 1.00 20.42 N ATOM 619 CA VAL A 42 45.696 -5.037 25.916 1.00 22.42 C ATOM 620 C VAL A 42 45.179 -4.709 27.319 1.00 3.21 C ATOM 621 O VAL A 42 44.296 -3.869 27.485 1.00 20.50 O ATOM 622 CB VAL A 42 46.921 -4.196 25.519 1.00 62.52 C ATOM 623 CG1 VAL A 42 46.642 -2.688 25.592 1.00 21.34 C ATOM 624 CG2 VAL A 42 48.144 -4.526 26.374 1.00 42.33 C ATOM 0 H VAL A 42 44.128 -3.968 25.058 1.00 20.42 H new ATOM 0 HA VAL A 42 46.000 -6.083 25.941 1.00 22.42 H new ATOM 0 HB VAL A 42 47.134 -4.459 24.483 1.00 62.52 H new ATOM 0 HG11 VAL A 42 47.537 -2.138 25.303 1.00 21.34 H new ATOM 0 HG12 VAL A 42 45.826 -2.436 24.915 1.00 21.34 H new ATOM 0 HG13 VAL A 42 46.364 -2.418 26.611 1.00 21.34 H new ATOM 0 HG21 VAL A 42 48.985 -3.909 26.059 1.00 42.33 H new ATOM 0 HG22 VAL A 42 47.920 -4.327 27.422 1.00 42.33 H new ATOM 0 HG23 VAL A 42 48.400 -5.578 26.252 1.00 42.33 H new ATOM 634 N ARG A 43 45.733 -5.392 28.327 1.00 53.42 N ATOM 635 CA ARG A 43 45.361 -5.233 29.726 1.00 52.43 C ATOM 636 C ARG A 43 46.009 -3.962 30.285 1.00 52.21 C ATOM 637 O ARG A 43 47.138 -3.654 29.914 1.00 34.11 O ATOM 638 CB ARG A 43 45.850 -6.455 30.522 1.00 4.53 C ATOM 639 CG ARG A 43 45.320 -7.773 29.944 1.00 54.15 C ATOM 640 CD ARG A 43 45.816 -8.965 30.768 1.00 43.21 C ATOM 641 NE ARG A 43 45.326 -10.231 30.204 1.00 73.04 N ATOM 642 CZ ARG A 43 45.678 -11.454 30.635 1.00 73.53 C ATOM 643 NH1 ARG A 43 46.557 -11.601 31.638 1.00 74.33 N ATOM 644 NH2 ARG A 43 45.142 -12.538 30.057 1.00 21.43 N ATOM 0 H ARG A 43 46.468 -6.084 28.183 1.00 53.42 H new ATOM 0 HA ARG A 43 44.277 -5.152 29.811 1.00 52.43 H new ATOM 0 HB2 ARG A 43 46.940 -6.473 30.523 1.00 4.53 H new ATOM 0 HB3 ARG A 43 45.531 -6.361 31.560 1.00 4.53 H new ATOM 0 HG2 ARG A 43 44.230 -7.759 29.935 1.00 54.15 H new ATOM 0 HG3 ARG A 43 45.646 -7.879 28.909 1.00 54.15 H new ATOM 0 HD2 ARG A 43 46.906 -8.969 30.790 1.00 43.21 H new ATOM 0 HD3 ARG A 43 45.477 -8.866 31.799 1.00 43.21 H new ATOM 0 HE ARG A 43 44.669 -10.177 29.426 1.00 73.04 H new ATOM 0 HH11 ARG A 43 46.966 -10.779 32.082 1.00 74.33 H new ATOM 0 HH12 ARG A 43 46.816 -12.535 31.956 1.00 74.33 H new ATOM 0 HH21 ARG A 43 44.472 -12.431 29.295 1.00 21.43 H new ATOM 0 HH22 ARG A 43 45.404 -13.470 30.379 1.00 21.43 H new ATOM 658 N PRO A 44 45.358 -3.239 31.213 1.00 13.43 N ATOM 659 CA PRO A 44 45.984 -2.123 31.911 1.00 62.24 C ATOM 660 C PRO A 44 47.192 -2.603 32.727 1.00 41.02 C ATOM 661 O PRO A 44 48.189 -1.893 32.835 1.00 31.14 O ATOM 662 CB PRO A 44 44.883 -1.514 32.781 1.00 75.34 C ATOM 663 CG PRO A 44 43.944 -2.691 33.043 1.00 51.42 C ATOM 664 CD PRO A 44 44.032 -3.501 31.748 1.00 71.44 C ATOM 0 HA PRO A 44 46.383 -1.374 31.227 1.00 62.24 H new ATOM 0 HB2 PRO A 44 45.284 -1.106 33.709 1.00 75.34 H new ATOM 0 HB3 PRO A 44 44.372 -0.699 32.269 1.00 75.34 H new ATOM 0 HG2 PRO A 44 44.262 -3.276 33.906 1.00 51.42 H new ATOM 0 HG3 PRO A 44 42.925 -2.358 33.241 1.00 51.42 H new ATOM 0 HD2 PRO A 44 43.890 -4.564 31.940 1.00 71.44 H new ATOM 0 HD3 PRO A 44 43.258 -3.198 31.043 1.00 71.44 H new ATOM 672 N CYS A 45 47.123 -3.833 33.251 1.00 33.52 N ATOM 673 CA CYS A 45 48.234 -4.497 33.918 1.00 50.15 C ATOM 674 C CYS A 45 49.425 -4.715 32.977 1.00 55.04 C ATOM 675 O CYS A 45 50.560 -4.768 33.442 1.00 11.21 O ATOM 676 CB CYS A 45 47.767 -5.826 34.512 1.00 32.13 C ATOM 677 SG CYS A 45 46.440 -5.543 35.716 1.00 31.14 S ATOM 0 H CYS A 45 46.275 -4.399 33.219 1.00 33.52 H new ATOM 0 HA CYS A 45 48.577 -3.844 34.721 1.00 50.15 H new ATOM 0 HB2 CYS A 45 47.413 -6.483 33.718 1.00 32.13 H new ATOM 0 HB3 CYS A 45 48.604 -6.331 34.994 1.00 32.13 H new ATOM 0 HG CYS A 45 46.052 -6.681 36.210 1.00 31.14 H new ATOM 683 N ASP A 46 49.179 -4.840 31.667 1.00 13.31 N ATOM 684 CA ASP A 46 50.229 -4.968 30.665 1.00 23.12 C ATOM 685 C ASP A 46 50.745 -3.590 30.233 1.00 31.14 C ATOM 686 O ASP A 46 51.947 -3.428 30.044 1.00 13.15 O ATOM 687 CB ASP A 46 49.736 -5.803 29.482 1.00 31.21 C ATOM 688 CG ASP A 46 50.854 -6.013 28.467 1.00 15.10 C ATOM 689 OD1 ASP A 46 51.030 -5.111 27.619 1.00 22.45 O ATOM 690 OD2 ASP A 46 51.525 -7.062 28.569 1.00 22.53 O ATOM 0 H ASP A 46 48.237 -4.855 31.276 1.00 13.31 H new ATOM 0 HA ASP A 46 51.075 -5.496 31.105 1.00 23.12 H new ATOM 0 HB2 ASP A 46 49.375 -6.768 29.837 1.00 31.21 H new ATOM 0 HB3 ASP A 46 48.893 -5.303 29.004 1.00 31.21 H new ATOM 695 N ILE A 47 49.866 -2.583 30.120 1.00 65.34 N ATOM 696 CA ILE A 47 50.287 -1.198 29.912 1.00 43.32 C ATOM 697 C ILE A 47 51.256 -0.780 31.025 1.00 11.24 C ATOM 698 O ILE A 47 52.232 -0.082 30.761 1.00 40.23 O ATOM 699 CB ILE A 47 49.074 -0.252 29.802 1.00 1.01 C ATOM 700 CG1 ILE A 47 48.230 -0.624 28.569 1.00 1.10 C ATOM 701 CG2 ILE A 47 49.542 1.210 29.701 1.00 50.44 C ATOM 702 CD1 ILE A 47 46.921 0.168 28.458 1.00 12.53 C ATOM 0 H ILE A 47 48.855 -2.708 30.170 1.00 65.34 H new ATOM 0 HA ILE A 47 50.815 -1.125 28.961 1.00 43.32 H new ATOM 0 HB ILE A 47 48.463 -0.359 30.698 1.00 1.01 H new ATOM 0 HG12 ILE A 47 48.823 -0.457 27.670 1.00 1.10 H new ATOM 0 HG13 ILE A 47 47.999 -1.689 28.605 1.00 1.10 H new ATOM 0 HG21 ILE A 47 48.674 1.865 29.624 1.00 50.44 H new ATOM 0 HG22 ILE A 47 50.116 1.471 30.590 1.00 50.44 H new ATOM 0 HG23 ILE A 47 50.168 1.331 28.817 1.00 50.44 H new ATOM 0 HD11 ILE A 47 46.380 -0.147 27.566 1.00 12.53 H new ATOM 0 HD12 ILE A 47 46.307 -0.018 29.340 1.00 12.53 H new ATOM 0 HD13 ILE A 47 47.145 1.233 28.389 1.00 12.53 H new ATOM 714 N SER A 48 51.014 -1.246 32.257 1.00 51.03 N ATOM 715 CA SER A 48 51.924 -1.042 33.378 1.00 61.24 C ATOM 716 C SER A 48 53.338 -1.528 33.049 1.00 53.11 C ATOM 717 O SER A 48 54.302 -0.869 33.426 1.00 22.15 O ATOM 718 CB SER A 48 51.410 -1.734 34.645 1.00 33.40 C ATOM 719 OG SER A 48 50.075 -1.378 34.934 1.00 15.50 O ATOM 0 H SER A 48 50.177 -1.776 32.499 1.00 51.03 H new ATOM 0 HA SER A 48 51.966 0.031 33.563 1.00 61.24 H new ATOM 0 HB2 SER A 48 51.479 -2.815 34.522 1.00 33.40 H new ATOM 0 HB3 SER A 48 52.047 -1.468 35.488 1.00 33.40 H new ATOM 0 HG SER A 48 49.484 -1.730 34.236 1.00 15.50 H new ATOM 725 N ARG A 49 53.468 -2.660 32.343 1.00 72.13 N ATOM 726 CA ARG A 49 54.756 -3.189 31.908 1.00 23.24 C ATOM 727 C ARG A 49 55.374 -2.267 30.861 1.00 2.24 C ATOM 728 O ARG A 49 56.521 -1.853 31.012 1.00 14.34 O ATOM 729 CB ARG A 49 54.627 -4.608 31.331 1.00 13.01 C ATOM 730 CG ARG A 49 53.929 -5.569 32.294 1.00 15.52 C ATOM 731 CD ARG A 49 53.774 -6.962 31.671 1.00 12.34 C ATOM 732 NE ARG A 49 55.068 -7.571 31.333 1.00 23.33 N ATOM 733 CZ ARG A 49 55.925 -8.121 32.210 1.00 33.41 C ATOM 734 NH1 ARG A 49 55.633 -8.171 33.517 1.00 42.41 N ATOM 735 NH2 ARG A 49 57.087 -8.623 31.772 1.00 13.40 N ATOM 0 H ARG A 49 52.674 -3.233 32.059 1.00 72.13 H new ATOM 0 HA ARG A 49 55.401 -3.239 32.785 1.00 23.24 H new ATOM 0 HB2 ARG A 49 54.069 -4.567 30.395 1.00 13.01 H new ATOM 0 HB3 ARG A 49 55.619 -4.992 31.094 1.00 13.01 H new ATOM 0 HG2 ARG A 49 54.502 -5.643 33.218 1.00 15.52 H new ATOM 0 HG3 ARG A 49 52.948 -5.175 32.558 1.00 15.52 H new ATOM 0 HD2 ARG A 49 53.241 -7.611 32.366 1.00 12.34 H new ATOM 0 HD3 ARG A 49 53.164 -6.889 30.771 1.00 12.34 H new ATOM 0 HE ARG A 49 55.339 -7.577 30.350 1.00 23.33 H new ATOM 0 HH11 ARG A 49 54.751 -7.789 33.857 1.00 42.41 H new ATOM 0 HH12 ARG A 49 56.293 -8.591 34.171 1.00 42.41 H new ATOM 0 HH21 ARG A 49 57.316 -8.586 30.779 1.00 13.40 H new ATOM 0 HH22 ARG A 49 57.743 -9.042 32.432 1.00 13.40 H new ATOM 749 N GLN A 50 54.612 -1.957 29.802 1.00 64.04 N ATOM 750 CA GLN A 50 55.061 -1.117 28.697 1.00 33.51 C ATOM 751 C GLN A 50 55.653 0.208 29.183 1.00 74.10 C ATOM 752 O GLN A 50 56.748 0.584 28.770 1.00 14.33 O ATOM 753 CB GLN A 50 53.888 -0.851 27.749 1.00 12.24 C ATOM 754 CG GLN A 50 53.394 -2.132 27.069 1.00 51.11 C ATOM 755 CD GLN A 50 52.152 -1.834 26.240 1.00 33.34 C ATOM 756 OE1 GLN A 50 52.193 -1.010 25.330 1.00 60.05 O ATOM 757 NE2 GLN A 50 51.034 -2.478 26.572 1.00 41.14 N ATOM 0 H GLN A 50 53.654 -2.290 29.693 1.00 64.04 H new ATOM 0 HA GLN A 50 55.853 -1.651 28.172 1.00 33.51 H new ATOM 0 HB2 GLN A 50 53.068 -0.398 28.306 1.00 12.24 H new ATOM 0 HB3 GLN A 50 54.193 -0.132 26.989 1.00 12.24 H new ATOM 0 HG2 GLN A 50 54.178 -2.541 26.431 1.00 51.11 H new ATOM 0 HG3 GLN A 50 53.167 -2.889 27.820 1.00 51.11 H new ATOM 0 HE21 GLN A 50 51.043 -3.155 27.335 1.00 41.14 H new ATOM 0 HE22 GLN A 50 50.169 -2.294 26.063 1.00 41.14 H new ATOM 766 N LEU A 51 54.928 0.910 30.062 1.00 33.32 N ATOM 767 CA LEU A 51 55.340 2.195 30.614 1.00 1.25 C ATOM 768 C LEU A 51 56.279 2.010 31.814 1.00 34.33 C ATOM 769 O LEU A 51 56.846 2.993 32.286 1.00 74.40 O ATOM 770 CB LEU A 51 54.094 3.009 31.007 1.00 4.13 C ATOM 771 CG LEU A 51 53.396 3.752 29.851 1.00 12.15 C ATOM 772 CD1 LEU A 51 54.218 4.950 29.354 1.00 75.55 C ATOM 773 CD2 LEU A 51 53.033 2.846 28.670 1.00 13.12 C ATOM 0 H LEU A 51 54.025 0.591 30.412 1.00 33.32 H new ATOM 0 HA LEU A 51 55.895 2.742 29.852 1.00 1.25 H new ATOM 0 HB2 LEU A 51 53.373 2.336 31.471 1.00 4.13 H new ATOM 0 HB3 LEU A 51 54.382 3.739 31.764 1.00 4.13 H new ATOM 0 HG LEU A 51 52.462 4.116 30.279 1.00 12.15 H new ATOM 0 HD11 LEU A 51 53.687 5.443 28.540 1.00 75.55 H new ATOM 0 HD12 LEU A 51 54.364 5.656 30.172 1.00 75.55 H new ATOM 0 HD13 LEU A 51 55.188 4.603 28.997 1.00 75.55 H new ATOM 0 HD21 LEU A 51 52.545 3.437 27.895 1.00 13.12 H new ATOM 0 HD22 LEU A 51 53.939 2.394 28.266 1.00 13.12 H new ATOM 0 HD23 LEU A 51 52.356 2.061 29.008 1.00 13.12 H new ATOM 785 N ARG A 52 56.451 0.769 32.295 1.00 30.04 N ATOM 786 CA ARG A 52 57.191 0.389 33.491 1.00 72.23 C ATOM 787 C ARG A 52 56.819 1.253 34.702 1.00 42.12 C ATOM 788 O ARG A 52 57.653 1.966 35.258 1.00 23.14 O ATOM 789 CB ARG A 52 58.698 0.232 33.227 1.00 55.14 C ATOM 790 CG ARG A 52 59.395 1.458 32.625 1.00 60.11 C ATOM 791 CD ARG A 52 60.895 1.190 32.469 1.00 11.13 C ATOM 792 NE ARG A 52 61.575 2.324 31.830 1.00 42.12 N ATOM 793 CZ ARG A 52 61.527 2.621 30.519 1.00 72.43 C ATOM 794 NH1 ARG A 52 60.860 1.838 29.658 1.00 71.10 N ATOM 795 NH2 ARG A 52 62.152 3.717 30.068 1.00 71.05 N ATOM 0 H ARG A 52 56.049 -0.041 31.824 1.00 30.04 H new ATOM 0 HA ARG A 52 56.872 -0.615 33.773 1.00 72.23 H new ATOM 0 HB2 ARG A 52 59.189 -0.018 34.167 1.00 55.14 H new ATOM 0 HB3 ARG A 52 58.845 -0.614 32.555 1.00 55.14 H new ATOM 0 HG2 ARG A 52 58.958 1.694 31.655 1.00 60.11 H new ATOM 0 HG3 ARG A 52 59.238 2.326 33.266 1.00 60.11 H new ATOM 0 HD2 ARG A 52 61.337 1.002 33.448 1.00 11.13 H new ATOM 0 HD3 ARG A 52 61.046 0.290 31.873 1.00 11.13 H new ATOM 0 HE ARG A 52 62.129 2.936 32.429 1.00 42.12 H new ATOM 0 HH11 ARG A 52 60.380 1.003 29.995 1.00 71.10 H new ATOM 0 HH12 ARG A 52 60.833 2.077 28.667 1.00 71.10 H new ATOM 0 HH21 ARG A 52 62.659 4.319 30.717 1.00 71.05 H new ATOM 0 HH22 ARG A 52 62.121 3.950 29.075 1.00 71.05 H new ATOM 809 N VAL A 53 55.545 1.158 35.102 1.00 12.43 N ATOM 810 CA VAL A 53 54.939 1.849 36.233 1.00 23.02 C ATOM 811 C VAL A 53 54.111 0.849 37.053 1.00 44.45 C ATOM 812 O VAL A 53 54.067 -0.337 36.728 1.00 52.52 O ATOM 813 CB VAL A 53 54.082 3.029 35.733 1.00 20.11 C ATOM 814 CG1 VAL A 53 54.950 4.118 35.094 1.00 43.24 C ATOM 815 CG2 VAL A 53 53.003 2.572 34.741 1.00 42.41 C ATOM 0 H VAL A 53 54.877 0.562 34.614 1.00 12.43 H new ATOM 0 HA VAL A 53 55.714 2.260 36.880 1.00 23.02 H new ATOM 0 HB VAL A 53 53.585 3.446 36.609 1.00 20.11 H new ATOM 0 HG11 VAL A 53 54.315 4.935 34.752 1.00 43.24 H new ATOM 0 HG12 VAL A 53 55.661 4.494 35.829 1.00 43.24 H new ATOM 0 HG13 VAL A 53 55.492 3.700 34.246 1.00 43.24 H new ATOM 0 HG21 VAL A 53 52.422 3.434 34.413 1.00 42.41 H new ATOM 0 HG22 VAL A 53 53.477 2.104 33.878 1.00 42.41 H new ATOM 0 HG23 VAL A 53 52.343 1.853 35.227 1.00 42.41 H new ATOM 825 N SER A 54 53.464 1.328 38.123 1.00 63.21 N ATOM 826 CA SER A 54 52.683 0.515 39.045 1.00 31.10 C ATOM 827 C SER A 54 51.397 0.002 38.384 1.00 63.05 C ATOM 828 O SER A 54 51.366 -1.124 37.894 1.00 41.23 O ATOM 829 CB SER A 54 52.407 1.329 40.318 1.00 3.32 C ATOM 830 OG SER A 54 51.825 2.584 40.010 1.00 54.30 O ATOM 0 H SER A 54 53.474 2.317 38.372 1.00 63.21 H new ATOM 0 HA SER A 54 53.251 -0.373 39.322 1.00 31.10 H new ATOM 0 HB2 SER A 54 51.741 0.768 40.974 1.00 3.32 H new ATOM 0 HB3 SER A 54 53.338 1.482 40.864 1.00 3.32 H new ATOM 0 HG SER A 54 51.659 3.080 40.839 1.00 54.30 H new ATOM 836 N HIS A 55 50.344 0.828 38.397 1.00 74.45 N ATOM 837 CA HIS A 55 49.018 0.561 37.847 1.00 62.31 C ATOM 838 C HIS A 55 48.131 1.797 38.032 1.00 61.05 C ATOM 839 O HIS A 55 47.352 2.142 37.147 1.00 44.25 O ATOM 840 CB HIS A 55 48.361 -0.663 38.504 1.00 74.14 C ATOM 841 CG HIS A 55 47.044 -1.018 37.863 1.00 23.45 C ATOM 842 ND1 HIS A 55 45.822 -0.661 38.412 1.00 32.15 N ATOM 843 CD2 HIS A 55 46.737 -1.668 36.690 1.00 75.02 C ATOM 844 CE1 HIS A 55 44.865 -1.103 37.578 1.00 11.14 C ATOM 845 NE2 HIS A 55 45.360 -1.728 36.507 1.00 52.13 N ATOM 0 H HIS A 55 50.403 1.755 38.818 1.00 74.45 H new ATOM 0 HA HIS A 55 49.131 0.340 36.786 1.00 62.31 H new ATOM 0 HB2 HIS A 55 49.037 -1.515 38.436 1.00 74.14 H new ATOM 0 HB3 HIS A 55 48.205 -0.463 39.564 1.00 74.14 H new ATOM 0 HD2 HIS A 55 47.466 -2.076 36.005 1.00 75.02 H new ATOM 0 HE1 HIS A 55 43.808 -0.967 37.755 1.00 11.14 H new ATOM 0 HE2 HIS A 55 44.847 -2.151 35.734 1.00 52.13 H new ATOM 853 N GLY A 56 48.262 2.481 39.176 1.00 64.45 N ATOM 854 CA GLY A 56 47.609 3.759 39.422 1.00 5.31 C ATOM 855 C GLY A 56 48.005 4.800 38.372 1.00 54.02 C ATOM 856 O GLY A 56 47.182 5.619 37.967 1.00 32.03 O ATOM 0 H GLY A 56 48.830 2.155 39.958 1.00 64.45 H new ATOM 0 HA2 GLY A 56 46.527 3.624 39.413 1.00 5.31 H new ATOM 0 HA3 GLY A 56 47.877 4.121 40.415 1.00 5.31 H new ATOM 860 N CYS A 57 49.259 4.750 37.908 1.00 15.34 N ATOM 861 CA CYS A 57 49.749 5.611 36.847 1.00 42.31 C ATOM 862 C CYS A 57 48.997 5.322 35.545 1.00 5.43 C ATOM 863 O CYS A 57 48.601 6.253 34.851 1.00 61.41 O ATOM 864 CB CYS A 57 51.256 5.404 36.690 1.00 61.41 C ATOM 865 SG CYS A 57 51.917 6.648 35.553 1.00 2.21 S ATOM 0 H CYS A 57 49.961 4.103 38.267 1.00 15.34 H new ATOM 0 HA CYS A 57 49.570 6.656 37.100 1.00 42.31 H new ATOM 0 HB2 CYS A 57 51.748 5.483 37.659 1.00 61.41 H new ATOM 0 HB3 CYS A 57 51.459 4.403 36.310 1.00 61.41 H new ATOM 0 HG CYS A 57 53.216 6.614 35.581 1.00 2.21 H new ATOM 871 N VAL A 58 48.774 4.039 35.232 1.00 64.44 N ATOM 872 CA VAL A 58 47.987 3.632 34.075 1.00 52.22 C ATOM 873 C VAL A 58 46.557 4.155 34.198 1.00 0.12 C ATOM 874 O VAL A 58 46.016 4.679 33.228 1.00 23.52 O ATOM 875 CB VAL A 58 48.022 2.108 33.891 1.00 5.33 C ATOM 876 CG1 VAL A 58 47.182 1.687 32.677 1.00 4.34 C ATOM 877 CG2 VAL A 58 49.464 1.638 33.690 1.00 13.25 C ATOM 0 H VAL A 58 49.137 3.258 35.778 1.00 64.44 H new ATOM 0 HA VAL A 58 48.429 4.071 33.181 1.00 52.22 H new ATOM 0 HB VAL A 58 47.606 1.649 34.788 1.00 5.33 H new ATOM 0 HG11 VAL A 58 47.221 0.603 32.566 1.00 4.34 H new ATOM 0 HG12 VAL A 58 46.148 2.000 32.824 1.00 4.34 H new ATOM 0 HG13 VAL A 58 47.579 2.159 31.778 1.00 4.34 H new ATOM 0 HG21 VAL A 58 49.479 0.556 33.560 1.00 13.25 H new ATOM 0 HG22 VAL A 58 49.882 2.116 32.804 1.00 13.25 H new ATOM 0 HG23 VAL A 58 50.059 1.907 34.562 1.00 13.25 H new ATOM 887 N SER A 59 45.951 4.038 35.385 1.00 34.22 N ATOM 888 CA SER A 59 44.615 4.557 35.646 1.00 3.54 C ATOM 889 C SER A 59 44.526 6.052 35.313 1.00 13.04 C ATOM 890 O SER A 59 43.544 6.484 34.717 1.00 32.33 O ATOM 891 CB SER A 59 44.214 4.274 37.098 1.00 65.31 C ATOM 892 OG SER A 59 42.844 4.550 37.284 1.00 40.53 O ATOM 0 H SER A 59 46.379 3.579 36.189 1.00 34.22 H new ATOM 0 HA SER A 59 43.908 4.044 34.994 1.00 3.54 H new ATOM 0 HB2 SER A 59 44.420 3.232 37.344 1.00 65.31 H new ATOM 0 HB3 SER A 59 44.811 4.885 37.774 1.00 65.31 H new ATOM 0 HG SER A 59 42.596 4.365 38.214 1.00 40.53 H new ATOM 898 N LYS A 60 45.560 6.829 35.664 1.00 52.31 N ATOM 899 CA LYS A 60 45.651 8.251 35.343 1.00 44.31 C ATOM 900 C LYS A 60 45.929 8.495 33.853 1.00 64.25 C ATOM 901 O LYS A 60 45.429 9.467 33.294 1.00 14.45 O ATOM 902 CB LYS A 60 46.716 8.920 36.219 1.00 64.42 C ATOM 903 CG LYS A 60 46.238 9.013 37.672 1.00 51.13 C ATOM 904 CD LYS A 60 47.279 9.728 38.539 1.00 73.42 C ATOM 905 CE LYS A 60 46.753 9.877 39.971 1.00 53.21 C ATOM 906 NZ LYS A 60 47.706 10.605 40.829 1.00 25.25 N ATOM 0 H LYS A 60 46.364 6.479 36.185 1.00 52.31 H new ATOM 0 HA LYS A 60 44.682 8.701 35.557 1.00 44.31 H new ATOM 0 HB2 LYS A 60 47.644 8.350 36.171 1.00 64.42 H new ATOM 0 HB3 LYS A 60 46.934 9.918 35.838 1.00 64.42 H new ATOM 0 HG2 LYS A 60 45.291 9.550 37.715 1.00 51.13 H new ATOM 0 HG3 LYS A 60 46.055 8.013 38.065 1.00 51.13 H new ATOM 0 HD2 LYS A 60 48.212 9.164 38.542 1.00 73.42 H new ATOM 0 HD3 LYS A 60 47.501 10.709 38.120 1.00 73.42 H new ATOM 0 HE2 LYS A 60 45.800 10.406 39.955 1.00 53.21 H new ATOM 0 HE3 LYS A 60 46.563 8.890 40.394 1.00 53.21 H new ATOM 0 HZ1 LYS A 60 47.316 10.686 41.790 1.00 25.25 H new ATOM 0 HZ2 LYS A 60 48.607 10.087 40.864 1.00 25.25 H new ATOM 0 HZ3 LYS A 60 47.868 11.556 40.439 1.00 25.25 H new ATOM 920 N ILE A 61 46.717 7.633 33.201 1.00 50.44 N ATOM 921 CA ILE A 61 46.980 7.715 31.766 1.00 63.33 C ATOM 922 C ILE A 61 45.682 7.519 30.971 1.00 41.30 C ATOM 923 O ILE A 61 45.428 8.260 30.025 1.00 63.53 O ATOM 924 CB ILE A 61 48.099 6.724 31.387 1.00 13.41 C ATOM 925 CG1 ILE A 61 49.454 7.337 31.791 1.00 2.25 C ATOM 926 CG2 ILE A 61 48.073 6.378 29.893 1.00 71.51 C ATOM 927 CD1 ILE A 61 50.593 6.315 31.833 1.00 25.01 C ATOM 0 H ILE A 61 47.192 6.855 33.660 1.00 50.44 H new ATOM 0 HA ILE A 61 47.341 8.709 31.503 1.00 63.33 H new ATOM 0 HB ILE A 61 47.942 5.788 31.923 1.00 13.41 H new ATOM 0 HG12 ILE A 61 49.711 8.128 31.087 1.00 2.25 H new ATOM 0 HG13 ILE A 61 49.356 7.802 32.772 1.00 2.25 H new ATOM 0 HG21 ILE A 61 48.877 5.677 29.668 1.00 71.51 H new ATOM 0 HG22 ILE A 61 47.115 5.924 29.641 1.00 71.51 H new ATOM 0 HG23 ILE A 61 48.209 7.287 29.307 1.00 71.51 H new ATOM 0 HD11 ILE A 61 51.518 6.813 32.124 1.00 25.01 H new ATOM 0 HD12 ILE A 61 50.356 5.536 32.558 1.00 25.01 H new ATOM 0 HD13 ILE A 61 50.717 5.867 30.847 1.00 25.01 H new ATOM 939 N LEU A 62 44.847 6.552 31.367 1.00 14.24 N ATOM 940 CA LEU A 62 43.498 6.397 30.836 1.00 25.21 C ATOM 941 C LEU A 62 42.667 7.633 31.189 1.00 70.24 C ATOM 942 O LEU A 62 42.068 8.252 30.310 1.00 75.10 O ATOM 943 CB LEU A 62 42.858 5.116 31.399 1.00 0.32 C ATOM 944 CG LEU A 62 43.099 3.850 30.556 1.00 34.21 C ATOM 945 CD1 LEU A 62 42.187 3.828 29.322 1.00 44.44 C ATOM 946 CD2 LEU A 62 44.564 3.667 30.139 1.00 53.23 C ATOM 0 H LEU A 62 45.094 5.854 32.069 1.00 14.24 H new ATOM 0 HA LEU A 62 43.536 6.305 29.751 1.00 25.21 H new ATOM 0 HB2 LEU A 62 43.244 4.945 32.404 1.00 0.32 H new ATOM 0 HB3 LEU A 62 41.784 5.274 31.493 1.00 0.32 H new ATOM 0 HG LEU A 62 42.849 3.008 31.202 1.00 34.21 H new ATOM 0 HD11 LEU A 62 42.378 2.923 28.745 1.00 44.44 H new ATOM 0 HD12 LEU A 62 41.144 3.842 29.640 1.00 44.44 H new ATOM 0 HD13 LEU A 62 42.390 4.703 28.704 1.00 44.44 H new ATOM 0 HD21 LEU A 62 44.663 2.756 29.548 1.00 53.23 H new ATOM 0 HD22 LEU A 62 44.882 4.523 29.543 1.00 53.23 H new ATOM 0 HD23 LEU A 62 45.189 3.592 31.029 1.00 53.23 H new ATOM 958 N GLY A 63 42.644 7.994 32.477 1.00 31.04 N ATOM 959 CA GLY A 63 41.900 9.128 32.998 1.00 71.32 C ATOM 960 C GLY A 63 42.681 10.431 32.821 1.00 0.53 C ATOM 961 O GLY A 63 42.989 11.109 33.801 1.00 52.24 O ATOM 0 H GLY A 63 43.158 7.487 33.198 1.00 31.04 H new ATOM 0 HA2 GLY A 63 40.941 9.203 32.485 1.00 71.32 H new ATOM 0 HA3 GLY A 63 41.685 8.971 34.055 1.00 71.32 H new ATOM 1314 N LYS A 87 1.443 -2.732 2.605 1.00 63.12 N ATOM 1315 CA LYS A 87 0.762 -3.954 2.205 1.00 71.43 C ATOM 1316 C LYS A 87 -0.564 -4.159 2.942 1.00 20.21 C ATOM 1317 O LYS A 87 -1.551 -4.538 2.320 1.00 25.04 O ATOM 1318 CB LYS A 87 1.712 -5.151 2.351 1.00 43.13 C ATOM 1319 CG LYS A 87 2.008 -5.551 3.802 1.00 53.22 C ATOM 1320 CD LYS A 87 3.002 -6.716 3.841 1.00 44.22 C ATOM 1321 CE LYS A 87 3.264 -7.150 5.288 1.00 44.41 C ATOM 1322 NZ LYS A 87 4.143 -8.332 5.352 1.00 43.54 N ATOM 0 HA LYS A 87 0.489 -3.863 1.154 1.00 71.43 H new ATOM 0 HB2 LYS A 87 1.281 -6.007 1.832 1.00 43.13 H new ATOM 0 HB3 LYS A 87 2.652 -4.916 1.853 1.00 43.13 H new ATOM 0 HG2 LYS A 87 2.415 -4.698 4.345 1.00 53.22 H new ATOM 0 HG3 LYS A 87 1.083 -5.836 4.303 1.00 53.22 H new ATOM 0 HD2 LYS A 87 2.609 -7.556 3.269 1.00 44.22 H new ATOM 0 HD3 LYS A 87 3.938 -6.419 3.369 1.00 44.22 H new ATOM 0 HE2 LYS A 87 3.720 -6.327 5.838 1.00 44.41 H new ATOM 0 HE3 LYS A 87 2.316 -7.374 5.778 1.00 44.41 H new ATOM 0 HZ1 LYS A 87 4.298 -8.596 6.346 1.00 43.54 H new ATOM 0 HZ2 LYS A 87 3.696 -9.125 4.849 1.00 43.54 H new ATOM 0 HZ3 LYS A 87 5.056 -8.110 4.907 1.00 43.54 H new ATOM 1336 N VAL A 88 -0.591 -3.885 4.252 1.00 50.13 N ATOM 1337 CA VAL A 88 -1.768 -4.029 5.097 1.00 33.51 C ATOM 1338 C VAL A 88 -2.904 -3.139 4.577 1.00 22.02 C ATOM 1339 O VAL A 88 -4.035 -3.602 4.444 1.00 74.05 O ATOM 1340 CB VAL A 88 -1.399 -3.708 6.558 1.00 43.42 C ATOM 1341 CG1 VAL A 88 -2.617 -3.853 7.480 1.00 11.24 C ATOM 1342 CG2 VAL A 88 -0.291 -4.644 7.067 1.00 45.00 C ATOM 0 H VAL A 88 0.228 -3.550 4.759 1.00 50.13 H new ATOM 0 HA VAL A 88 -2.124 -5.059 5.063 1.00 33.51 H new ATOM 0 HB VAL A 88 -1.046 -2.677 6.576 1.00 43.42 H new ATOM 0 HG11 VAL A 88 -2.327 -3.620 8.505 1.00 11.24 H new ATOM 0 HG12 VAL A 88 -3.400 -3.166 7.159 1.00 11.24 H new ATOM 0 HG13 VAL A 88 -2.990 -4.876 7.432 1.00 11.24 H new ATOM 0 HG21 VAL A 88 -0.051 -4.395 8.101 1.00 45.00 H new ATOM 0 HG22 VAL A 88 -0.634 -5.677 7.013 1.00 45.00 H new ATOM 0 HG23 VAL A 88 0.599 -4.525 6.449 1.00 45.00 H new ATOM 1352 N VAL A 89 -2.592 -1.874 4.268 1.00 12.24 N ATOM 1353 CA VAL A 89 -3.543 -0.893 3.757 1.00 71.42 C ATOM 1354 C VAL A 89 -4.113 -1.340 2.406 1.00 12.41 C ATOM 1355 O VAL A 89 -5.301 -1.152 2.148 1.00 41.52 O ATOM 1356 CB VAL A 89 -2.883 0.497 3.662 1.00 35.15 C ATOM 1357 CG1 VAL A 89 -3.893 1.551 3.187 1.00 14.35 C ATOM 1358 CG2 VAL A 89 -2.312 0.935 5.017 1.00 64.12 C ATOM 0 H VAL A 89 -1.648 -1.501 4.371 1.00 12.24 H new ATOM 0 HA VAL A 89 -4.377 -0.819 4.455 1.00 71.42 H new ATOM 0 HB VAL A 89 -2.071 0.417 2.939 1.00 35.15 H new ATOM 0 HG11 VAL A 89 -3.404 2.523 3.128 1.00 14.35 H new ATOM 0 HG12 VAL A 89 -4.271 1.275 2.203 1.00 14.35 H new ATOM 0 HG13 VAL A 89 -4.722 1.604 3.893 1.00 14.35 H new ATOM 0 HG21 VAL A 89 -1.853 1.919 4.918 1.00 64.12 H new ATOM 0 HG22 VAL A 89 -3.115 0.982 5.752 1.00 64.12 H new ATOM 0 HG23 VAL A 89 -1.561 0.216 5.345 1.00 64.12 H new ATOM 1368 N GLU A 90 -3.277 -1.934 1.546 1.00 11.21 N ATOM 1369 CA GLU A 90 -3.689 -2.400 0.227 1.00 52.33 C ATOM 1370 C GLU A 90 -4.802 -3.450 0.311 1.00 51.50 C ATOM 1371 O GLU A 90 -5.652 -3.497 -0.574 1.00 44.45 O ATOM 1372 CB GLU A 90 -2.482 -2.964 -0.536 1.00 10.11 C ATOM 1373 CG GLU A 90 -1.414 -1.897 -0.815 1.00 5.11 C ATOM 1374 CD GLU A 90 -0.065 -2.513 -1.177 1.00 0.11 C ATOM 1375 OE1 GLU A 90 -0.071 -3.592 -1.809 1.00 61.02 O ATOM 1376 OE2 GLU A 90 0.957 -1.901 -0.796 1.00 22.41 O ATOM 0 H GLU A 90 -2.292 -2.103 1.751 1.00 11.21 H new ATOM 0 HA GLU A 90 -4.090 -1.543 -0.314 1.00 52.33 H new ATOM 0 HB2 GLU A 90 -2.038 -3.776 0.041 1.00 10.11 H new ATOM 0 HB3 GLU A 90 -2.820 -3.391 -1.480 1.00 10.11 H new ATOM 0 HG2 GLU A 90 -1.749 -1.255 -1.630 1.00 5.11 H new ATOM 0 HG3 GLU A 90 -1.298 -1.263 0.064 1.00 5.11 H new ATOM 1383 N LYS A 91 -4.796 -4.298 1.351 1.00 22.31 N ATOM 1384 CA LYS A 91 -5.646 -5.483 1.410 1.00 33.42 C ATOM 1385 C LYS A 91 -7.139 -5.149 1.428 1.00 34.32 C ATOM 1386 O LYS A 91 -7.909 -5.833 0.754 1.00 45.25 O ATOM 1387 CB LYS A 91 -5.257 -6.375 2.592 1.00 11.13 C ATOM 1388 CG LYS A 91 -3.795 -6.850 2.575 1.00 44.13 C ATOM 1389 CD LYS A 91 -3.264 -7.121 1.159 1.00 5.35 C ATOM 1390 CE LYS A 91 -1.857 -7.720 1.156 1.00 33.41 C ATOM 1391 NZ LYS A 91 -1.280 -7.667 -0.200 1.00 62.12 N ATOM 0 H LYS A 91 -4.201 -4.176 2.170 1.00 22.31 H new ATOM 0 HA LYS A 91 -5.473 -6.038 0.488 1.00 33.42 H new ATOM 0 HB2 LYS A 91 -5.438 -5.830 3.518 1.00 11.13 H new ATOM 0 HB3 LYS A 91 -5.910 -7.248 2.603 1.00 11.13 H new ATOM 0 HG2 LYS A 91 -3.169 -6.096 3.053 1.00 44.13 H new ATOM 0 HG3 LYS A 91 -3.708 -7.760 3.169 1.00 44.13 H new ATOM 0 HD2 LYS A 91 -3.944 -7.801 0.645 1.00 5.35 H new ATOM 0 HD3 LYS A 91 -3.258 -6.189 0.594 1.00 5.35 H new ATOM 0 HE2 LYS A 91 -1.220 -7.173 1.851 1.00 33.41 H new ATOM 0 HE3 LYS A 91 -1.894 -8.753 1.503 1.00 33.41 H new ATOM 0 HZ1 LYS A 91 -0.324 -8.077 -0.187 1.00 62.12 H new ATOM 0 HZ2 LYS A 91 -1.880 -8.209 -0.854 1.00 62.12 H new ATOM 0 HZ3 LYS A 91 -1.228 -6.678 -0.517 1.00 62.12 H new ATOM 1405 N ILE A 92 -7.532 -4.091 2.153 1.00 1.25 N ATOM 1406 CA ILE A 92 -8.839 -3.451 2.047 1.00 71.41 C ATOM 1407 C ILE A 92 -9.296 -3.399 0.587 1.00 23.34 C ATOM 1408 O ILE A 92 -10.368 -3.901 0.257 1.00 0.14 O ATOM 1409 CB ILE A 92 -8.775 -2.041 2.671 1.00 72.55 C ATOM 1410 CG1 ILE A 92 -8.541 -2.128 4.189 1.00 33.31 C ATOM 1411 CG2 ILE A 92 -10.071 -1.257 2.414 1.00 50.02 C ATOM 1412 CD1 ILE A 92 -7.111 -1.794 4.617 1.00 2.33 C ATOM 0 H ILE A 92 -6.928 -3.650 2.846 1.00 1.25 H new ATOM 0 HA ILE A 92 -9.575 -4.038 2.597 1.00 71.41 H new ATOM 0 HB ILE A 92 -7.943 -1.519 2.200 1.00 72.55 H new ATOM 0 HG12 ILE A 92 -9.228 -1.448 4.692 1.00 33.31 H new ATOM 0 HG13 ILE A 92 -8.785 -3.135 4.527 1.00 33.31 H new ATOM 0 HG21 ILE A 92 -9.994 -0.268 2.866 1.00 50.02 H new ATOM 0 HG22 ILE A 92 -10.227 -1.154 1.340 1.00 50.02 H new ATOM 0 HG23 ILE A 92 -10.913 -1.792 2.853 1.00 50.02 H new ATOM 0 HD11 ILE A 92 -7.027 -1.878 5.700 1.00 2.33 H new ATOM 0 HD12 ILE A 92 -6.418 -2.490 4.144 1.00 2.33 H new ATOM 0 HD13 ILE A 92 -6.868 -0.776 4.312 1.00 2.33 H new ATOM 1424 N GLY A 93 -8.463 -2.818 -0.282 1.00 34.53 N ATOM 1425 CA GLY A 93 -8.721 -2.744 -1.707 1.00 33.10 C ATOM 1426 C GLY A 93 -8.715 -4.133 -2.341 1.00 63.12 C ATOM 1427 O GLY A 93 -9.731 -4.549 -2.890 1.00 1.14 O ATOM 0 H GLY A 93 -7.583 -2.384 -0.004 1.00 34.53 H new ATOM 0 HA2 GLY A 93 -9.685 -2.266 -1.881 1.00 33.10 H new ATOM 0 HA3 GLY A 93 -7.965 -2.120 -2.184 1.00 33.10 H new ATOM 1431 N ASP A 94 -7.572 -4.830 -2.292 1.00 3.52 N ATOM 1432 CA ASP A 94 -7.318 -6.050 -3.050 1.00 62.45 C ATOM 1433 C ASP A 94 -8.413 -7.092 -2.866 1.00 62.11 C ATOM 1434 O ASP A 94 -8.899 -7.645 -3.847 1.00 43.23 O ATOM 1435 CB ASP A 94 -5.974 -6.672 -2.658 1.00 41.20 C ATOM 1436 CG ASP A 94 -4.772 -5.741 -2.807 1.00 43.00 C ATOM 1437 OD1 ASP A 94 -4.873 -4.790 -3.615 1.00 70.21 O ATOM 1438 OD2 ASP A 94 -3.765 -6.012 -2.117 1.00 3.13 O ATOM 0 H ASP A 94 -6.783 -4.550 -1.709 1.00 3.52 H new ATOM 0 HA ASP A 94 -7.299 -5.753 -4.099 1.00 62.45 H new ATOM 0 HB2 ASP A 94 -6.032 -7.005 -1.622 1.00 41.20 H new ATOM 0 HB3 ASP A 94 -5.807 -7.559 -3.269 1.00 41.20 H new ATOM 1443 N TYR A 95 -8.781 -7.397 -1.621 1.00 51.24 N ATOM 1444 CA TYR A 95 -9.732 -8.453 -1.333 1.00 53.23 C ATOM 1445 C TYR A 95 -11.135 -8.066 -1.794 1.00 74.45 C ATOM 1446 O TYR A 95 -11.869 -8.928 -2.269 1.00 61.40 O ATOM 1447 CB TYR A 95 -9.671 -8.796 0.155 1.00 73.13 C ATOM 1448 CG TYR A 95 -8.320 -9.257 0.679 1.00 35.14 C ATOM 1449 CD1 TYR A 95 -7.239 -9.532 -0.186 1.00 0.32 C ATOM 1450 CD2 TYR A 95 -8.139 -9.386 2.067 1.00 44.25 C ATOM 1451 CE1 TYR A 95 -5.967 -9.807 0.333 1.00 14.10 C ATOM 1452 CE2 TYR A 95 -6.888 -9.766 2.581 1.00 61.20 C ATOM 1453 CZ TYR A 95 -5.787 -9.901 1.720 1.00 43.54 C ATOM 1454 OH TYR A 95 -4.541 -10.116 2.227 1.00 62.11 O ATOM 0 H TYR A 95 -8.426 -6.918 -0.793 1.00 51.24 H new ATOM 0 HA TYR A 95 -9.468 -9.350 -1.893 1.00 53.23 H new ATOM 0 HB2 TYR A 95 -9.978 -7.918 0.723 1.00 73.13 H new ATOM 0 HB3 TYR A 95 -10.403 -9.578 0.357 1.00 73.13 H new ATOM 0 HD1 TYR A 95 -7.393 -9.530 -1.255 1.00 0.32 H new ATOM 0 HD2 TYR A 95 -8.962 -9.193 2.739 1.00 44.25 H new ATOM 0 HE1 TYR A 95 -5.128 -9.946 -0.333 1.00 14.10 H new ATOM 0 HE2 TYR A 95 -6.773 -9.954 3.638 1.00 61.20 H new ATOM 0 HH TYR A 95 -4.388 -11.079 2.322 1.00 62.11 H new ATOM 1464 N LYS A 96 -11.497 -6.780 -1.708 1.00 2.10 N ATOM 1465 CA LYS A 96 -12.748 -6.298 -2.264 1.00 22.14 C ATOM 1466 C LYS A 96 -12.736 -6.382 -3.797 1.00 73.13 C ATOM 1467 O LYS A 96 -13.742 -6.754 -4.394 1.00 51.03 O ATOM 1468 CB LYS A 96 -13.025 -4.868 -1.783 1.00 12.12 C ATOM 1469 CG LYS A 96 -14.540 -4.636 -1.724 1.00 53.21 C ATOM 1470 CD LYS A 96 -15.101 -5.113 -0.375 1.00 14.14 C ATOM 1471 CE LYS A 96 -16.443 -5.838 -0.527 1.00 51.33 C ATOM 1472 NZ LYS A 96 -16.258 -7.250 -0.904 1.00 30.54 N ATOM 0 H LYS A 96 -10.933 -6.060 -1.256 1.00 2.10 H new ATOM 0 HA LYS A 96 -13.556 -6.938 -1.910 1.00 22.14 H new ATOM 0 HB2 LYS A 96 -12.583 -4.711 -0.799 1.00 12.12 H new ATOM 0 HB3 LYS A 96 -12.562 -4.149 -2.459 1.00 12.12 H new ATOM 0 HG2 LYS A 96 -14.758 -3.577 -1.862 1.00 53.21 H new ATOM 0 HG3 LYS A 96 -15.029 -5.171 -2.538 1.00 53.21 H new ATOM 0 HD2 LYS A 96 -14.382 -5.780 0.100 1.00 14.14 H new ATOM 0 HD3 LYS A 96 -15.226 -4.256 0.287 1.00 14.14 H new ATOM 0 HE2 LYS A 96 -16.996 -5.781 0.411 1.00 51.33 H new ATOM 0 HE3 LYS A 96 -17.045 -5.335 -1.284 1.00 51.33 H new ATOM 0 HZ1 LYS A 96 -17.187 -7.704 -1.015 1.00 30.54 H new ATOM 0 HZ2 LYS A 96 -15.737 -7.304 -1.802 1.00 30.54 H new ATOM 0 HZ3 LYS A 96 -15.719 -7.740 -0.161 1.00 30.54 H new ATOM 1486 N ARG A 97 -11.605 -6.047 -4.433 1.00 61.23 N ATOM 1487 CA ARG A 97 -11.438 -6.124 -5.880 1.00 75.12 C ATOM 1488 C ARG A 97 -11.573 -7.574 -6.358 1.00 41.12 C ATOM 1489 O ARG A 97 -12.259 -7.835 -7.343 1.00 34.24 O ATOM 1490 CB ARG A 97 -10.078 -5.533 -6.284 1.00 75.32 C ATOM 1491 CG ARG A 97 -10.033 -4.006 -6.114 1.00 52.11 C ATOM 1492 CD ARG A 97 -8.588 -3.490 -6.117 1.00 62.12 C ATOM 1493 NE ARG A 97 -7.854 -3.931 -7.313 1.00 15.22 N ATOM 1494 CZ ARG A 97 -6.564 -4.310 -7.363 1.00 5.13 C ATOM 1495 NH1 ARG A 97 -5.768 -4.257 -6.286 1.00 44.24 N ATOM 1496 NH2 ARG A 97 -6.060 -4.756 -8.523 1.00 1.31 N ATOM 0 H ARG A 97 -10.774 -5.712 -3.946 1.00 61.23 H new ATOM 0 HA ARG A 97 -12.223 -5.539 -6.360 1.00 75.12 H new ATOM 0 HB2 ARG A 97 -9.293 -5.987 -5.680 1.00 75.32 H new ATOM 0 HB3 ARG A 97 -9.868 -5.787 -7.323 1.00 75.32 H new ATOM 0 HG2 ARG A 97 -10.593 -3.531 -6.919 1.00 52.11 H new ATOM 0 HG3 ARG A 97 -10.520 -3.727 -5.179 1.00 52.11 H new ATOM 0 HD2 ARG A 97 -8.591 -2.401 -6.073 1.00 62.12 H new ATOM 0 HD3 ARG A 97 -8.074 -3.844 -5.224 1.00 62.12 H new ATOM 0 HE ARG A 97 -8.374 -3.951 -8.190 1.00 15.22 H new ATOM 0 HH11 ARG A 97 -6.136 -3.922 -5.396 1.00 44.24 H new ATOM 0 HH12 ARG A 97 -4.794 -4.552 -6.357 1.00 44.24 H new ATOM 0 HH21 ARG A 97 -6.653 -4.804 -9.352 1.00 1.31 H new ATOM 0 HH22 ARG A 97 -5.084 -5.047 -8.577 1.00 1.31 H new ATOM 1510 N GLN A 98 -10.923 -8.512 -5.657 1.00 1.32 N ATOM 1511 CA GLN A 98 -10.950 -9.931 -5.979 1.00 2.05 C ATOM 1512 C GLN A 98 -12.354 -10.502 -5.762 1.00 14.15 C ATOM 1513 O GLN A 98 -12.924 -11.105 -6.670 1.00 62.41 O ATOM 1514 CB GLN A 98 -9.915 -10.680 -5.133 1.00 35.30 C ATOM 1515 CG GLN A 98 -8.492 -10.355 -5.601 1.00 43.22 C ATOM 1516 CD GLN A 98 -7.452 -10.928 -4.654 1.00 63.03 C ATOM 1517 OE1 GLN A 98 -7.279 -12.141 -4.568 1.00 0.50 O ATOM 1518 NE2 GLN A 98 -6.761 -10.057 -3.925 1.00 11.41 N ATOM 0 H GLN A 98 -10.356 -8.295 -4.837 1.00 1.32 H new ATOM 0 HA GLN A 98 -10.694 -10.061 -7.030 1.00 2.05 H new ATOM 0 HB2 GLN A 98 -10.029 -10.406 -4.084 1.00 35.30 H new ATOM 0 HB3 GLN A 98 -10.090 -11.754 -5.203 1.00 35.30 H new ATOM 0 HG2 GLN A 98 -8.336 -10.758 -6.602 1.00 43.22 H new ATOM 0 HG3 GLN A 98 -8.368 -9.274 -5.669 1.00 43.22 H new ATOM 0 HE21 GLN A 98 -6.934 -9.057 -4.026 1.00 11.41 H new ATOM 0 HE22 GLN A 98 -6.058 -10.389 -3.265 1.00 11.41 H new ATOM 1527 N ASN A 99 -12.896 -10.312 -4.553 1.00 51.51 N ATOM 1528 CA ASN A 99 -14.199 -10.794 -4.119 1.00 62.34 C ATOM 1529 C ASN A 99 -15.081 -9.590 -3.766 1.00 74.52 C ATOM 1530 O ASN A 99 -15.120 -9.185 -2.605 1.00 14.22 O ATOM 1531 CB ASN A 99 -14.002 -11.737 -2.921 1.00 61.21 C ATOM 1532 CG ASN A 99 -15.301 -12.353 -2.397 1.00 13.21 C ATOM 1533 OD1 ASN A 99 -16.402 -12.008 -2.825 1.00 72.14 O ATOM 1534 ND2 ASN A 99 -15.164 -13.290 -1.459 1.00 41.14 N ATOM 0 H ASN A 99 -12.410 -9.793 -3.822 1.00 51.51 H new ATOM 0 HA ASN A 99 -14.698 -11.353 -4.910 1.00 62.34 H new ATOM 0 HB2 ASN A 99 -13.322 -12.538 -3.210 1.00 61.21 H new ATOM 0 HB3 ASN A 99 -13.521 -11.186 -2.113 1.00 61.21 H new ATOM 0 HD21 ASN A 99 -15.989 -13.748 -1.071 1.00 41.14 H new ATOM 0 HD22 ASN A 99 -14.234 -13.549 -1.129 1.00 41.14 H new ATOM 1541 N PRO A 100 -15.799 -9.006 -4.739 1.00 61.34 N ATOM 1542 CA PRO A 100 -16.703 -7.895 -4.491 1.00 13.34 C ATOM 1543 C PRO A 100 -17.974 -8.382 -3.794 1.00 61.25 C ATOM 1544 O PRO A 100 -18.421 -7.750 -2.840 1.00 44.45 O ATOM 1545 CB PRO A 100 -16.993 -7.290 -5.864 1.00 60.11 C ATOM 1546 CG PRO A 100 -16.849 -8.475 -6.819 1.00 52.31 C ATOM 1547 CD PRO A 100 -15.771 -9.336 -6.157 1.00 63.14 C ATOM 0 HA PRO A 100 -16.270 -7.149 -3.825 1.00 13.34 H new ATOM 0 HB2 PRO A 100 -17.993 -6.859 -5.909 1.00 60.11 H new ATOM 0 HB3 PRO A 100 -16.291 -6.492 -6.107 1.00 60.11 H new ATOM 0 HG2 PRO A 100 -17.787 -9.019 -6.928 1.00 52.31 H new ATOM 0 HG3 PRO A 100 -16.550 -8.153 -7.816 1.00 52.31 H new ATOM 0 HD2 PRO A 100 -15.970 -10.396 -6.314 1.00 63.14 H new ATOM 0 HD3 PRO A 100 -14.790 -9.129 -6.585 1.00 63.14 H new ATOM 1555 N THR A 101 -18.534 -9.502 -4.272 1.00 25.31 N ATOM 1556 CA THR A 101 -19.793 -10.091 -3.838 1.00 45.12 C ATOM 1557 C THR A 101 -19.932 -10.161 -2.315 1.00 51.54 C ATOM 1558 O THR A 101 -20.978 -9.794 -1.785 1.00 50.42 O ATOM 1559 CB THR A 101 -19.963 -11.477 -4.481 1.00 42.10 C ATOM 1560 OG1 THR A 101 -18.729 -12.170 -4.515 1.00 3.03 O ATOM 1561 CG2 THR A 101 -20.490 -11.342 -5.913 1.00 11.23 C ATOM 0 H THR A 101 -18.090 -10.046 -5.012 1.00 25.31 H new ATOM 0 HA THR A 101 -20.595 -9.434 -4.175 1.00 45.12 H new ATOM 0 HB THR A 101 -20.677 -12.036 -3.876 1.00 42.10 H new ATOM 0 HG1 THR A 101 -18.172 -11.883 -3.762 1.00 3.03 H new ATOM 0 HG21 THR A 101 -20.605 -12.332 -6.353 1.00 11.23 H new ATOM 0 HG22 THR A 101 -21.456 -10.837 -5.899 1.00 11.23 H new ATOM 0 HG23 THR A 101 -19.785 -10.760 -6.507 1.00 11.23 H new ATOM 1569 N MET A 102 -18.902 -10.631 -1.606 1.00 33.10 N ATOM 1570 CA MET A 102 -18.985 -10.793 -0.163 1.00 14.02 C ATOM 1571 C MET A 102 -18.843 -9.459 0.574 1.00 45.20 C ATOM 1572 O MET A 102 -18.637 -8.405 -0.023 1.00 43.53 O ATOM 1573 CB MET A 102 -17.965 -11.837 0.304 1.00 40.41 C ATOM 1574 CG MET A 102 -18.349 -13.245 -0.166 1.00 71.30 C ATOM 1575 SD MET A 102 -19.966 -13.880 0.359 1.00 65.03 S ATOM 1576 CE MET A 102 -19.739 -13.900 2.154 1.00 50.34 C ATOM 0 H MET A 102 -18.007 -10.903 -2.011 1.00 33.10 H new ATOM 0 HA MET A 102 -19.980 -11.161 0.088 1.00 14.02 H new ATOM 0 HB2 MET A 102 -16.978 -11.580 -0.080 1.00 40.41 H new ATOM 0 HB3 MET A 102 -17.898 -11.821 1.392 1.00 40.41 H new ATOM 0 HG2 MET A 102 -18.318 -13.258 -1.255 1.00 71.30 H new ATOM 0 HG3 MET A 102 -17.584 -13.938 0.183 1.00 71.30 H new ATOM 0 HE1 MET A 102 -20.596 -14.382 2.624 1.00 50.34 H new ATOM 0 HE2 MET A 102 -18.832 -14.453 2.400 1.00 50.34 H new ATOM 0 HE3 MET A 102 -19.651 -12.877 2.521 1.00 50.34 H new ATOM 1586 N PHE A 103 -19.016 -9.528 1.894 1.00 13.31 N ATOM 1587 CA PHE A 103 -19.158 -8.383 2.784 1.00 1.04 C ATOM 1588 C PHE A 103 -17.796 -7.890 3.285 1.00 52.11 C ATOM 1589 O PHE A 103 -16.751 -8.394 2.884 1.00 21.01 O ATOM 1590 CB PHE A 103 -20.063 -8.801 3.950 1.00 55.23 C ATOM 1591 CG PHE A 103 -21.507 -9.057 3.560 1.00 3.13 C ATOM 1592 CD1 PHE A 103 -21.895 -10.307 3.040 1.00 25.24 C ATOM 1593 CD2 PHE A 103 -22.470 -8.043 3.726 1.00 15.10 C ATOM 1594 CE1 PHE A 103 -23.232 -10.533 2.669 1.00 51.23 C ATOM 1595 CE2 PHE A 103 -23.812 -8.281 3.385 1.00 10.43 C ATOM 1596 CZ PHE A 103 -24.191 -9.520 2.841 1.00 14.11 C ATOM 0 H PHE A 103 -19.062 -10.419 2.389 1.00 13.31 H new ATOM 0 HA PHE A 103 -19.607 -7.549 2.245 1.00 1.04 H new ATOM 0 HB2 PHE A 103 -19.656 -9.704 4.404 1.00 55.23 H new ATOM 0 HB3 PHE A 103 -20.037 -8.022 4.712 1.00 55.23 H new ATOM 0 HD1 PHE A 103 -21.164 -11.094 2.926 1.00 25.24 H new ATOM 0 HD2 PHE A 103 -22.176 -7.080 4.116 1.00 15.10 H new ATOM 0 HE1 PHE A 103 -23.522 -11.486 2.251 1.00 51.23 H new ATOM 0 HE2 PHE A 103 -24.553 -7.511 3.541 1.00 10.43 H new ATOM 0 HZ PHE A 103 -25.218 -9.694 2.555 1.00 14.11 H new ATOM 1606 N ALA A 104 -17.818 -6.896 4.179 1.00 50.25 N ATOM 1607 CA ALA A 104 -16.642 -6.367 4.854 1.00 23.44 C ATOM 1608 C ALA A 104 -16.020 -7.389 5.809 1.00 50.01 C ATOM 1609 O ALA A 104 -14.801 -7.425 5.945 1.00 43.42 O ATOM 1610 CB ALA A 104 -17.040 -5.099 5.605 1.00 63.42 C ATOM 0 H ALA A 104 -18.681 -6.429 4.456 1.00 50.25 H new ATOM 0 HA ALA A 104 -15.883 -6.137 4.107 1.00 23.44 H new ATOM 0 HB1 ALA A 104 -16.169 -4.690 6.116 1.00 63.42 H new ATOM 0 HB2 ALA A 104 -17.424 -4.363 4.899 1.00 63.42 H new ATOM 0 HB3 ALA A 104 -17.812 -5.337 6.337 1.00 63.42 H new ATOM 1616 N TRP A 105 -16.830 -8.223 6.476 1.00 4.52 N ATOM 1617 CA TRP A 105 -16.298 -9.218 7.402 1.00 64.44 C ATOM 1618 C TRP A 105 -15.428 -10.248 6.677 1.00 63.22 C ATOM 1619 O TRP A 105 -14.446 -10.716 7.245 1.00 2.40 O ATOM 1620 CB TRP A 105 -17.418 -9.862 8.225 1.00 45.20 C ATOM 1621 CG TRP A 105 -18.582 -10.427 7.472 1.00 64.44 C ATOM 1622 CD1 TRP A 105 -19.786 -9.827 7.331 1.00 40.55 C ATOM 1623 CD2 TRP A 105 -18.698 -11.715 6.798 1.00 72.25 C ATOM 1624 NE1 TRP A 105 -20.640 -10.645 6.623 1.00 2.52 N ATOM 1625 CE2 TRP A 105 -20.015 -11.821 6.264 1.00 34.22 C ATOM 1626 CE3 TRP A 105 -17.833 -12.811 6.591 1.00 31.51 C ATOM 1627 CZ2 TRP A 105 -20.446 -12.947 5.551 1.00 63.50 C ATOM 1628 CZ3 TRP A 105 -18.256 -13.950 5.883 1.00 44.20 C ATOM 1629 CH2 TRP A 105 -19.565 -14.025 5.375 1.00 2.45 C ATOM 0 H TRP A 105 -17.846 -8.225 6.389 1.00 4.52 H new ATOM 0 HA TRP A 105 -15.644 -8.708 8.109 1.00 64.44 H new ATOM 0 HB2 TRP A 105 -16.981 -10.663 8.822 1.00 45.20 H new ATOM 0 HB3 TRP A 105 -17.797 -9.115 8.922 1.00 45.20 H new ATOM 0 HD1 TRP A 105 -20.041 -8.851 7.716 1.00 40.55 H new ATOM 0 HE1 TRP A 105 -21.606 -10.412 6.395 1.00 2.52 H new ATOM 0 HE3 TRP A 105 -16.828 -12.774 6.984 1.00 31.51 H new ATOM 0 HZ2 TRP A 105 -21.445 -12.985 5.142 1.00 63.50 H new ATOM 0 HZ3 TRP A 105 -17.572 -14.771 5.729 1.00 44.20 H new ATOM 0 HH2 TRP A 105 -19.892 -14.911 4.850 1.00 2.45 H new ATOM 1640 N GLU A 106 -15.746 -10.557 5.412 1.00 41.34 N ATOM 1641 CA GLU A 106 -14.922 -11.406 4.560 1.00 40.40 C ATOM 1642 C GLU A 106 -13.508 -10.833 4.416 1.00 73.43 C ATOM 1643 O GLU A 106 -12.537 -11.586 4.430 1.00 74.15 O ATOM 1644 CB GLU A 106 -15.636 -11.597 3.212 1.00 45.10 C ATOM 1645 CG GLU A 106 -14.860 -12.457 2.203 1.00 71.52 C ATOM 1646 CD GLU A 106 -13.940 -11.628 1.307 1.00 52.15 C ATOM 1647 OE1 GLU A 106 -14.475 -10.738 0.610 1.00 72.44 O ATOM 1648 OE2 GLU A 106 -12.720 -11.906 1.318 1.00 40.21 O ATOM 0 H GLU A 106 -16.592 -10.218 4.953 1.00 41.34 H new ATOM 0 HA GLU A 106 -14.796 -12.388 5.016 1.00 40.40 H new ATOM 0 HB2 GLU A 106 -16.608 -12.056 3.391 1.00 45.10 H new ATOM 0 HB3 GLU A 106 -15.822 -10.618 2.770 1.00 45.10 H new ATOM 0 HG2 GLU A 106 -14.267 -13.196 2.742 1.00 71.52 H new ATOM 0 HG3 GLU A 106 -15.566 -13.007 1.582 1.00 71.52 H new ATOM 1655 N ILE A 107 -13.386 -9.504 4.319 1.00 61.11 N ATOM 1656 CA ILE A 107 -12.112 -8.807 4.194 1.00 13.30 C ATOM 1657 C ILE A 107 -11.293 -8.955 5.481 1.00 23.20 C ATOM 1658 O ILE A 107 -10.103 -9.267 5.413 1.00 73.42 O ATOM 1659 CB ILE A 107 -12.358 -7.332 3.813 1.00 65.22 C ATOM 1660 CG1 ILE A 107 -13.359 -7.180 2.651 1.00 13.12 C ATOM 1661 CG2 ILE A 107 -11.046 -6.601 3.499 1.00 23.23 C ATOM 1662 CD1 ILE A 107 -12.956 -7.916 1.371 1.00 11.24 C ATOM 0 H ILE A 107 -14.189 -8.875 4.326 1.00 61.11 H new ATOM 0 HA ILE A 107 -11.524 -9.256 3.394 1.00 13.30 H new ATOM 0 HB ILE A 107 -12.807 -6.863 4.689 1.00 65.22 H new ATOM 0 HG12 ILE A 107 -14.333 -7.547 2.976 1.00 13.12 H new ATOM 0 HG13 ILE A 107 -13.477 -6.120 2.425 1.00 13.12 H new ATOM 0 HG21 ILE A 107 -11.261 -5.565 3.235 1.00 23.23 H new ATOM 0 HG22 ILE A 107 -10.397 -6.625 4.375 1.00 23.23 H new ATOM 0 HG23 ILE A 107 -10.547 -7.092 2.664 1.00 23.23 H new ATOM 0 HD11 ILE A 107 -13.715 -7.756 0.605 1.00 11.24 H new ATOM 0 HD12 ILE A 107 -11.998 -7.534 1.018 1.00 11.24 H new ATOM 0 HD13 ILE A 107 -12.867 -8.983 1.577 1.00 11.24 H new ATOM 1674 N ARG A 108 -11.924 -8.761 6.648 1.00 4.10 N ATOM 1675 CA ARG A 108 -11.266 -8.942 7.938 1.00 54.01 C ATOM 1676 C ARG A 108 -10.781 -10.386 8.093 1.00 25.51 C ATOM 1677 O ARG A 108 -9.628 -10.618 8.450 1.00 23.34 O ATOM 1678 CB ARG A 108 -12.199 -8.544 9.092 1.00 12.21 C ATOM 1679 CG ARG A 108 -11.463 -8.649 10.435 1.00 42.43 C ATOM 1680 CD ARG A 108 -12.304 -8.102 11.594 1.00 33.44 C ATOM 1681 NE ARG A 108 -11.642 -8.329 12.889 1.00 40.33 N ATOM 1682 CZ ARG A 108 -10.611 -7.617 13.380 1.00 22.41 C ATOM 1683 NH1 ARG A 108 -10.136 -6.555 12.719 1.00 23.12 N ATOM 1684 NH2 ARG A 108 -10.040 -7.970 14.540 1.00 71.55 N ATOM 0 H ARG A 108 -12.901 -8.475 6.718 1.00 4.10 H new ATOM 0 HA ARG A 108 -10.397 -8.285 7.975 1.00 54.01 H new ATOM 0 HB2 ARG A 108 -12.556 -7.525 8.944 1.00 12.21 H new ATOM 0 HB3 ARG A 108 -13.076 -9.191 9.099 1.00 12.21 H new ATOM 0 HG2 ARG A 108 -11.211 -9.691 10.630 1.00 42.43 H new ATOM 0 HG3 ARG A 108 -10.523 -8.099 10.378 1.00 42.43 H new ATOM 0 HD2 ARG A 108 -12.473 -7.035 11.452 1.00 33.44 H new ATOM 0 HD3 ARG A 108 -13.283 -8.582 11.594 1.00 33.44 H new ATOM 0 HE ARG A 108 -11.996 -9.093 13.465 1.00 40.33 H new ATOM 0 HH11 ARG A 108 -10.556 -6.277 11.832 1.00 23.12 H new ATOM 0 HH12 ARG A 108 -9.354 -6.024 13.102 1.00 23.12 H new ATOM 0 HH21 ARG A 108 -10.387 -8.780 15.053 1.00 71.55 H new ATOM 0 HH22 ARG A 108 -9.259 -7.428 14.909 1.00 71.55 H new ATOM 1698 N ASP A 109 -11.669 -11.349 7.832 1.00 74.51 N ATOM 1699 CA ASP A 109 -11.396 -12.768 7.995 1.00 63.43 C ATOM 1700 C ASP A 109 -10.284 -13.228 7.051 1.00 72.44 C ATOM 1701 O ASP A 109 -9.411 -13.989 7.463 1.00 42.55 O ATOM 1702 CB ASP A 109 -12.680 -13.578 7.783 1.00 14.32 C ATOM 1703 CG ASP A 109 -13.770 -13.297 8.822 1.00 14.14 C ATOM 1704 OD1 ASP A 109 -13.456 -12.654 9.847 1.00 4.14 O ATOM 1705 OD2 ASP A 109 -14.909 -13.742 8.569 1.00 41.13 O ATOM 0 H ASP A 109 -12.612 -11.155 7.496 1.00 74.51 H new ATOM 0 HA ASP A 109 -11.046 -12.940 9.013 1.00 63.43 H new ATOM 0 HB2 ASP A 109 -13.074 -13.362 6.790 1.00 14.32 H new ATOM 0 HB3 ASP A 109 -12.436 -14.640 7.805 1.00 14.32 H new ATOM 1710 N ARG A 110 -10.300 -12.760 5.796 1.00 60.22 N ATOM 1711 CA ARG A 110 -9.312 -13.131 4.794 1.00 64.14 C ATOM 1712 C ARG A 110 -7.880 -12.795 5.234 1.00 12.43 C ATOM 1713 O ARG A 110 -6.975 -13.591 4.989 1.00 12.41 O ATOM 1714 CB ARG A 110 -9.668 -12.536 3.428 1.00 55.33 C ATOM 1715 CG ARG A 110 -8.614 -12.973 2.408 1.00 74.44 C ATOM 1716 CD ARG A 110 -9.043 -12.729 0.964 1.00 25.41 C ATOM 1717 NE ARG A 110 -7.876 -12.895 0.092 1.00 50.14 N ATOM 1718 CZ ARG A 110 -7.782 -12.545 -1.194 1.00 34.04 C ATOM 1719 NH1 ARG A 110 -8.827 -12.015 -1.842 1.00 5.24 N ATOM 1720 NH2 ARG A 110 -6.613 -12.731 -1.821 1.00 20.43 N ATOM 0 H ARG A 110 -11.007 -12.109 5.453 1.00 60.22 H new ATOM 0 HA ARG A 110 -9.339 -14.216 4.689 1.00 64.14 H new ATOM 0 HB2 ARG A 110 -10.657 -12.872 3.116 1.00 55.33 H new ATOM 0 HB3 ARG A 110 -9.706 -11.448 3.489 1.00 55.33 H new ATOM 0 HG2 ARG A 110 -7.685 -12.436 2.601 1.00 74.44 H new ATOM 0 HG3 ARG A 110 -8.403 -14.034 2.544 1.00 74.44 H new ATOM 0 HD2 ARG A 110 -9.829 -13.429 0.680 1.00 25.41 H new ATOM 0 HD3 ARG A 110 -9.455 -11.726 0.857 1.00 25.41 H new ATOM 0 HE ARG A 110 -7.050 -13.322 0.511 1.00 50.14 H new ATOM 0 HH11 ARG A 110 -9.711 -11.873 -1.354 1.00 5.24 H new ATOM 0 HH12 ARG A 110 -8.739 -11.753 -2.824 1.00 5.24 H new ATOM 0 HH21 ARG A 110 -5.822 -13.131 -1.317 1.00 20.43 H new ATOM 0 HH22 ARG A 110 -6.514 -12.472 -2.803 1.00 20.43 H new ATOM 1734 N LEU A 111 -7.671 -11.649 5.898 1.00 74.03 N ATOM 1735 CA LEU A 111 -6.360 -11.278 6.430 1.00 71.55 C ATOM 1736 C LEU A 111 -5.805 -12.380 7.335 1.00 61.42 C ATOM 1737 O LEU A 111 -4.641 -12.756 7.212 1.00 61.44 O ATOM 1738 CB LEU A 111 -6.445 -9.967 7.225 1.00 51.55 C ATOM 1739 CG LEU A 111 -6.648 -8.738 6.329 1.00 72.33 C ATOM 1740 CD1 LEU A 111 -7.212 -7.568 7.138 1.00 35.11 C ATOM 1741 CD2 LEU A 111 -5.315 -8.302 5.711 1.00 54.13 C ATOM 0 H LEU A 111 -8.402 -10.961 6.078 1.00 74.03 H new ATOM 0 HA LEU A 111 -5.690 -11.141 5.581 1.00 71.55 H new ATOM 0 HB2 LEU A 111 -7.268 -10.032 7.936 1.00 51.55 H new ATOM 0 HB3 LEU A 111 -5.531 -9.840 7.806 1.00 51.55 H new ATOM 0 HG LEU A 111 -7.350 -9.013 5.542 1.00 72.33 H new ATOM 0 HD11 LEU A 111 -7.349 -6.706 6.485 1.00 35.11 H new ATOM 0 HD12 LEU A 111 -8.172 -7.853 7.569 1.00 35.11 H new ATOM 0 HD13 LEU A 111 -6.518 -7.310 7.938 1.00 35.11 H new ATOM 0 HD21 LEU A 111 -5.476 -7.429 5.078 1.00 54.13 H new ATOM 0 HD22 LEU A 111 -4.611 -8.050 6.504 1.00 54.13 H new ATOM 0 HD23 LEU A 111 -4.909 -9.116 5.110 1.00 54.13 H new ATOM 1753 N LEU A 112 -6.641 -12.887 8.246 1.00 55.04 N ATOM 1754 CA LEU A 112 -6.260 -13.899 9.221 1.00 44.41 C ATOM 1755 C LEU A 112 -6.116 -15.273 8.566 1.00 22.23 C ATOM 1756 O LEU A 112 -5.222 -16.033 8.932 1.00 42.12 O ATOM 1757 CB LEU A 112 -7.283 -13.933 10.362 1.00 55.22 C ATOM 1758 CG LEU A 112 -7.487 -12.564 11.035 1.00 62.44 C ATOM 1759 CD1 LEU A 112 -8.466 -12.716 12.203 1.00 3.12 C ATOM 1760 CD2 LEU A 112 -6.163 -11.982 11.540 1.00 42.31 C ATOM 0 H LEU A 112 -7.616 -12.597 8.323 1.00 55.04 H new ATOM 0 HA LEU A 112 -5.286 -13.636 9.634 1.00 44.41 H new ATOM 0 HB2 LEU A 112 -8.239 -14.286 9.974 1.00 55.22 H new ATOM 0 HB3 LEU A 112 -6.958 -14.654 11.112 1.00 55.22 H new ATOM 0 HG LEU A 112 -7.892 -11.875 10.294 1.00 62.44 H new ATOM 0 HD11 LEU A 112 -8.613 -11.748 12.683 1.00 3.12 H new ATOM 0 HD12 LEU A 112 -9.422 -13.086 11.831 1.00 3.12 H new ATOM 0 HD13 LEU A 112 -8.061 -13.422 12.928 1.00 3.12 H new ATOM 0 HD21 LEU A 112 -6.346 -11.015 12.009 1.00 42.31 H new ATOM 0 HD22 LEU A 112 -5.721 -12.661 12.269 1.00 42.31 H new ATOM 0 HD23 LEU A 112 -5.478 -11.855 10.702 1.00 42.31 H new ATOM 1772 N ALA A 113 -6.982 -15.583 7.593 1.00 53.45 N ATOM 1773 CA ALA A 113 -6.937 -16.830 6.842 1.00 74.44 C ATOM 1774 C ALA A 113 -5.610 -16.966 6.092 1.00 23.51 C ATOM 1775 O ALA A 113 -4.969 -18.013 6.159 1.00 55.15 O ATOM 1776 CB ALA A 113 -8.123 -16.893 5.878 1.00 52.01 C ATOM 0 H ALA A 113 -7.740 -14.963 7.307 1.00 53.45 H new ATOM 0 HA ALA A 113 -7.007 -17.666 7.538 1.00 74.44 H new ATOM 0 HB1 ALA A 113 -8.087 -17.827 5.317 1.00 52.01 H new ATOM 0 HB2 ALA A 113 -9.054 -16.845 6.443 1.00 52.01 H new ATOM 0 HB3 ALA A 113 -8.074 -16.052 5.186 1.00 52.01 H new ATOM 1782 N GLU A 114 -5.194 -15.901 5.395 1.00 51.54 N ATOM 1783 CA GLU A 114 -3.921 -15.851 4.687 1.00 52.32 C ATOM 1784 C GLU A 114 -2.754 -15.689 5.668 1.00 20.52 C ATOM 1785 O GLU A 114 -1.645 -16.132 5.372 1.00 30.43 O ATOM 1786 CB GLU A 114 -3.964 -14.725 3.648 1.00 62.42 C ATOM 1787 CG GLU A 114 -4.963 -15.059 2.528 1.00 62.05 C ATOM 1788 CD GLU A 114 -5.131 -13.901 1.552 1.00 41.32 C ATOM 1789 OE1 GLU A 114 -5.223 -12.761 2.045 1.00 21.53 O ATOM 1790 OE2 GLU A 114 -5.224 -14.163 0.333 1.00 64.12 O ATOM 0 H GLU A 114 -5.741 -15.045 5.310 1.00 51.54 H new ATOM 0 HA GLU A 114 -3.757 -16.793 4.164 1.00 52.32 H new ATOM 0 HB2 GLU A 114 -4.249 -13.789 4.129 1.00 62.42 H new ATOM 0 HB3 GLU A 114 -2.971 -14.576 3.224 1.00 62.42 H new ATOM 0 HG2 GLU A 114 -4.621 -15.942 1.988 1.00 62.05 H new ATOM 0 HG3 GLU A 114 -5.930 -15.308 2.966 1.00 62.05 H new ATOM 1797 N GLY A 115 -3.000 -15.079 6.834 1.00 11.23 N ATOM 1798 CA GLY A 115 -2.019 -14.929 7.899 1.00 63.41 C ATOM 1799 C GLY A 115 -1.123 -13.725 7.630 1.00 62.23 C ATOM 1800 O GLY A 115 0.095 -13.861 7.527 1.00 13.43 O ATOM 0 H GLY A 115 -3.906 -14.670 7.061 1.00 11.23 H new ATOM 0 HA2 GLY A 115 -2.527 -14.806 8.855 1.00 63.41 H new ATOM 0 HA3 GLY A 115 -1.413 -15.832 7.974 1.00 63.41 H new ATOM 1804 N VAL A 116 -1.745 -12.547 7.505 1.00 24.41 N ATOM 1805 CA VAL A 116 -1.094 -11.302 7.123 1.00 41.34 C ATOM 1806 C VAL A 116 -0.642 -10.520 8.360 1.00 24.51 C ATOM 1807 O VAL A 116 0.472 -9.998 8.381 1.00 21.02 O ATOM 1808 CB VAL A 116 -2.056 -10.493 6.236 1.00 34.12 C ATOM 1809 CG1 VAL A 116 -1.473 -9.125 5.865 1.00 44.33 C ATOM 1810 CG2 VAL A 116 -2.351 -11.273 4.948 1.00 13.41 C ATOM 0 H VAL A 116 -2.745 -12.437 7.673 1.00 24.41 H new ATOM 0 HA VAL A 116 -0.191 -11.513 6.550 1.00 41.34 H new ATOM 0 HB VAL A 116 -2.972 -10.333 6.805 1.00 34.12 H new ATOM 0 HG11 VAL A 116 -2.183 -8.585 5.238 1.00 44.33 H new ATOM 0 HG12 VAL A 116 -1.282 -8.553 6.773 1.00 44.33 H new ATOM 0 HG13 VAL A 116 -0.539 -9.263 5.320 1.00 44.33 H new ATOM 0 HG21 VAL A 116 -3.033 -10.697 4.322 1.00 13.41 H new ATOM 0 HG22 VAL A 116 -1.421 -11.447 4.407 1.00 13.41 H new ATOM 0 HG23 VAL A 116 -2.809 -12.230 5.199 1.00 13.41 H new ATOM 1820 N CYS A 117 -1.510 -10.422 9.374 1.00 4.34 N ATOM 1821 CA CYS A 117 -1.255 -9.696 10.612 1.00 73.22 C ATOM 1822 C CYS A 117 -2.085 -10.342 11.732 1.00 1.22 C ATOM 1823 O CYS A 117 -3.004 -11.110 11.448 1.00 2.30 O ATOM 1824 CB CYS A 117 -1.585 -8.211 10.389 1.00 13.30 C ATOM 1825 SG CYS A 117 -0.873 -7.164 11.684 1.00 10.12 S ATOM 0 H CYS A 117 -2.431 -10.859 9.350 1.00 4.34 H new ATOM 0 HA CYS A 117 -0.208 -9.749 10.911 1.00 73.22 H new ATOM 0 HB2 CYS A 117 -1.206 -7.896 9.417 1.00 13.30 H new ATOM 0 HB3 CYS A 117 -2.667 -8.078 10.367 1.00 13.30 H new ATOM 0 HG CYS A 117 -1.588 -7.264 12.765 1.00 10.12 H new ATOM 1831 N ASP A 118 -1.738 -10.078 13.000 1.00 70.34 N ATOM 1832 CA ASP A 118 -2.258 -10.810 14.153 1.00 2.45 C ATOM 1833 C ASP A 118 -3.756 -10.576 14.376 1.00 20.30 C ATOM 1834 O ASP A 118 -4.293 -9.543 13.978 1.00 54.11 O ATOM 1835 CB ASP A 118 -1.463 -10.455 15.418 1.00 41.14 C ATOM 1836 CG ASP A 118 0.037 -10.666 15.229 1.00 62.23 C ATOM 1837 OD1 ASP A 118 0.669 -9.755 14.650 1.00 40.50 O ATOM 1838 OD2 ASP A 118 0.520 -11.735 15.659 1.00 21.41 O ATOM 0 H ASP A 118 -1.080 -9.340 13.252 1.00 70.34 H new ATOM 0 HA ASP A 118 -2.133 -11.871 13.937 1.00 2.45 H new ATOM 0 HB2 ASP A 118 -1.652 -9.415 15.685 1.00 41.14 H new ATOM 0 HB3 ASP A 118 -1.813 -11.066 16.250 1.00 41.14 H new ATOM 1843 N ASN A 119 -4.397 -11.559 15.027 1.00 20.40 N ATOM 1844 CA ASN A 119 -5.836 -11.697 15.252 1.00 73.24 C ATOM 1845 C ASN A 119 -6.572 -10.386 15.552 1.00 34.33 C ATOM 1846 O ASN A 119 -7.599 -10.107 14.936 1.00 40.03 O ATOM 1847 CB ASN A 119 -6.107 -12.755 16.335 1.00 71.21 C ATOM 1848 CG ASN A 119 -5.708 -12.313 17.745 1.00 73.43 C ATOM 1849 OD1 ASN A 119 -6.568 -11.988 18.559 1.00 13.41 O ATOM 1850 ND2 ASN A 119 -4.407 -12.296 18.044 1.00 71.14 N ATOM 0 H ASN A 119 -3.879 -12.335 15.439 1.00 20.40 H new ATOM 0 HA ASN A 119 -6.253 -12.030 14.302 1.00 73.24 H new ATOM 0 HB2 ASN A 119 -7.168 -13.004 16.329 1.00 71.21 H new ATOM 0 HB3 ASN A 119 -5.565 -13.666 16.083 1.00 71.21 H new ATOM 0 HD21 ASN A 119 -4.101 -12.007 18.973 1.00 71.14 H new ATOM 0 HD22 ASN A 119 -3.719 -12.572 17.343 1.00 71.14 H new ATOM 1857 N ASP A 120 -6.065 -9.599 16.505 1.00 63.12 N ATOM 1858 CA ASP A 120 -6.686 -8.360 16.941 1.00 12.05 C ATOM 1859 C ASP A 120 -6.263 -7.215 16.023 1.00 55.20 C ATOM 1860 O ASP A 120 -7.106 -6.467 15.533 1.00 21.23 O ATOM 1861 CB ASP A 120 -6.281 -8.081 18.391 1.00 50.01 C ATOM 1862 CG ASP A 120 -6.877 -6.769 18.892 1.00 32.03 C ATOM 1863 OD1 ASP A 120 -8.087 -6.779 19.208 1.00 41.44 O ATOM 1864 OD2 ASP A 120 -6.115 -5.780 18.939 1.00 52.15 O ATOM 0 H ASP A 120 -5.199 -9.814 16.998 1.00 63.12 H new ATOM 0 HA ASP A 120 -7.771 -8.449 16.890 1.00 12.05 H new ATOM 0 HB2 ASP A 120 -6.614 -8.901 19.028 1.00 50.01 H new ATOM 0 HB3 ASP A 120 -5.194 -8.041 18.466 1.00 50.01 H new ATOM 1869 N THR A 121 -4.944 -7.093 15.832 1.00 34.21 N ATOM 1870 CA THR A 121 -4.264 -5.944 15.251 1.00 65.40 C ATOM 1871 C THR A 121 -4.798 -5.535 13.874 1.00 73.14 C ATOM 1872 O THR A 121 -4.845 -4.341 13.581 1.00 74.44 O ATOM 1873 CB THR A 121 -2.753 -6.202 15.196 1.00 42.43 C ATOM 1874 OG1 THR A 121 -2.471 -7.295 14.350 1.00 42.14 O ATOM 1875 CG2 THR A 121 -2.158 -6.452 16.587 1.00 35.31 C ATOM 0 H THR A 121 -4.295 -7.835 16.094 1.00 34.21 H new ATOM 0 HA THR A 121 -4.472 -5.098 15.907 1.00 65.40 H new ATOM 0 HB THR A 121 -2.288 -5.302 14.794 1.00 42.43 H new ATOM 0 HG1 THR A 121 -3.230 -7.915 14.353 1.00 42.14 H new ATOM 0 HG21 THR A 121 -1.086 -6.630 16.498 1.00 35.31 H new ATOM 0 HG22 THR A 121 -2.330 -5.580 17.218 1.00 35.31 H new ATOM 0 HG23 THR A 121 -2.634 -7.324 17.035 1.00 35.31 H new ATOM 1883 N VAL A 122 -5.195 -6.507 13.038 1.00 52.13 N ATOM 1884 CA VAL A 122 -5.859 -6.260 11.757 1.00 20.12 C ATOM 1885 C VAL A 122 -6.963 -5.195 11.884 1.00 62.11 C ATOM 1886 O VAL A 122 -7.649 -5.143 12.905 1.00 23.14 O ATOM 1887 CB VAL A 122 -6.455 -7.562 11.186 1.00 75.33 C ATOM 1888 CG1 VAL A 122 -5.375 -8.441 10.556 1.00 5.33 C ATOM 1889 CG2 VAL A 122 -7.205 -8.381 12.242 1.00 22.31 C ATOM 0 H VAL A 122 -5.060 -7.498 13.239 1.00 52.13 H new ATOM 0 HA VAL A 122 -5.100 -5.885 11.071 1.00 20.12 H new ATOM 0 HB VAL A 122 -7.167 -7.249 10.422 1.00 75.33 H new ATOM 0 HG11 VAL A 122 -5.829 -9.351 10.163 1.00 5.33 H new ATOM 0 HG12 VAL A 122 -4.891 -7.898 9.744 1.00 5.33 H new ATOM 0 HG13 VAL A 122 -4.633 -8.703 11.310 1.00 5.33 H new ATOM 0 HG21 VAL A 122 -7.604 -9.287 11.785 1.00 22.31 H new ATOM 0 HG22 VAL A 122 -6.521 -8.652 13.046 1.00 22.31 H new ATOM 0 HG23 VAL A 122 -8.025 -7.788 12.647 1.00 22.31 H new ATOM 1899 N PRO A 123 -7.154 -4.338 10.865 1.00 41.42 N ATOM 1900 CA PRO A 123 -8.132 -3.262 10.905 1.00 71.44 C ATOM 1901 C PRO A 123 -9.558 -3.802 11.010 1.00 41.20 C ATOM 1902 O PRO A 123 -9.874 -4.871 10.487 1.00 34.42 O ATOM 1903 CB PRO A 123 -7.920 -2.449 9.626 1.00 15.23 C ATOM 1904 CG PRO A 123 -7.257 -3.443 8.673 1.00 40.13 C ATOM 1905 CD PRO A 123 -6.430 -4.322 9.607 1.00 34.32 C ATOM 0 HA PRO A 123 -7.996 -2.638 11.788 1.00 71.44 H new ATOM 0 HB2 PRO A 123 -8.864 -2.078 9.226 1.00 15.23 H new ATOM 0 HB3 PRO A 123 -7.286 -1.580 9.804 1.00 15.23 H new ATOM 0 HG2 PRO A 123 -7.995 -4.025 8.121 1.00 40.13 H new ATOM 0 HG3 PRO A 123 -6.632 -2.939 7.936 1.00 40.13 H new ATOM 0 HD2 PRO A 123 -6.321 -5.329 9.204 1.00 34.32 H new ATOM 0 HD3 PRO A 123 -5.425 -3.920 9.737 1.00 34.32 H new ATOM 1913 N SER A 124 -10.406 -3.054 11.724 1.00 23.10 N ATOM 1914 CA SER A 124 -11.760 -3.454 12.073 1.00 24.45 C ATOM 1915 C SER A 124 -12.629 -3.665 10.836 1.00 61.42 C ATOM 1916 O SER A 124 -12.385 -3.070 9.788 1.00 63.01 O ATOM 1917 CB SER A 124 -12.373 -2.407 13.010 1.00 31.45 C ATOM 1918 OG SER A 124 -12.393 -1.130 12.422 1.00 51.44 O ATOM 0 H SER A 124 -10.157 -2.132 12.081 1.00 23.10 H new ATOM 0 HA SER A 124 -11.715 -4.414 12.587 1.00 24.45 H new ATOM 0 HB2 SER A 124 -13.389 -2.703 13.271 1.00 31.45 H new ATOM 0 HB3 SER A 124 -11.803 -2.371 13.938 1.00 31.45 H new ATOM 0 HG SER A 124 -12.792 -0.489 13.046 1.00 51.44 H new ATOM 1924 N VAL A 125 -13.672 -4.492 10.982 1.00 11.41 N ATOM 1925 CA VAL A 125 -14.708 -4.654 9.971 1.00 15.41 C ATOM 1926 C VAL A 125 -15.339 -3.296 9.652 1.00 75.40 C ATOM 1927 O VAL A 125 -15.581 -2.979 8.489 1.00 63.30 O ATOM 1928 CB VAL A 125 -15.732 -5.711 10.419 1.00 42.34 C ATOM 1929 CG1 VAL A 125 -16.517 -5.320 11.680 1.00 51.11 C ATOM 1930 CG2 VAL A 125 -16.708 -6.016 9.279 1.00 0.14 C ATOM 0 H VAL A 125 -13.816 -5.068 11.812 1.00 11.41 H new ATOM 0 HA VAL A 125 -14.271 -5.025 9.044 1.00 15.41 H new ATOM 0 HB VAL A 125 -15.155 -6.599 10.676 1.00 42.34 H new ATOM 0 HG11 VAL A 125 -17.219 -6.115 11.933 1.00 51.11 H new ATOM 0 HG12 VAL A 125 -15.824 -5.170 12.508 1.00 51.11 H new ATOM 0 HG13 VAL A 125 -17.066 -4.397 11.495 1.00 51.11 H new ATOM 0 HG21 VAL A 125 -17.428 -6.765 9.607 1.00 0.14 H new ATOM 0 HG22 VAL A 125 -17.235 -5.104 8.998 1.00 0.14 H new ATOM 0 HG23 VAL A 125 -16.156 -6.396 8.419 1.00 0.14 H new ATOM 1940 N SER A 126 -15.549 -2.479 10.692 1.00 40.14 N ATOM 1941 CA SER A 126 -16.010 -1.109 10.566 1.00 62.24 C ATOM 1942 C SER A 126 -15.028 -0.281 9.741 1.00 30.41 C ATOM 1943 O SER A 126 -15.457 0.428 8.835 1.00 74.12 O ATOM 1944 CB SER A 126 -16.199 -0.493 11.956 1.00 23.23 C ATOM 1945 OG SER A 126 -17.157 -1.224 12.691 1.00 2.43 O ATOM 0 H SER A 126 -15.398 -2.766 11.659 1.00 40.14 H new ATOM 0 HA SER A 126 -16.968 -1.109 10.047 1.00 62.24 H new ATOM 0 HB2 SER A 126 -15.249 -0.486 12.490 1.00 23.23 H new ATOM 0 HB3 SER A 126 -16.519 0.545 11.861 1.00 23.23 H new ATOM 0 HG SER A 126 -17.267 -0.821 13.577 1.00 2.43 H new ATOM 1951 N SER A 127 -13.726 -0.364 10.045 1.00 14.11 N ATOM 1952 CA SER A 127 -12.703 0.408 9.356 1.00 42.21 C ATOM 1953 C SER A 127 -12.719 0.062 7.873 1.00 64.43 C ATOM 1954 O SER A 127 -13.103 0.905 7.069 1.00 42.44 O ATOM 1955 CB SER A 127 -11.319 0.185 9.982 1.00 44.22 C ATOM 1956 OG SER A 127 -10.320 0.831 9.223 1.00 2.31 O ATOM 0 H SER A 127 -13.360 -0.971 10.778 1.00 14.11 H new ATOM 0 HA SER A 127 -12.924 1.470 9.465 1.00 42.21 H new ATOM 0 HB2 SER A 127 -11.310 0.566 11.003 1.00 44.22 H new ATOM 0 HB3 SER A 127 -11.107 -0.883 10.038 1.00 44.22 H new ATOM 0 HG SER A 127 -9.445 0.680 9.638 1.00 2.31 H new ATOM 1962 N ILE A 128 -12.328 -1.169 7.518 1.00 23.34 N ATOM 1963 CA ILE A 128 -12.167 -1.606 6.134 1.00 41.21 C ATOM 1964 C ILE A 128 -13.410 -1.314 5.285 1.00 54.11 C ATOM 1965 O ILE A 128 -13.281 -0.849 4.154 1.00 1.40 O ATOM 1966 CB ILE A 128 -11.717 -3.074 6.071 1.00 41.00 C ATOM 1967 CG1 ILE A 128 -12.795 -4.036 6.595 1.00 24.13 C ATOM 1968 CG2 ILE A 128 -10.373 -3.241 6.799 1.00 22.42 C ATOM 1969 CD1 ILE A 128 -12.234 -5.376 7.068 1.00 3.21 C ATOM 0 H ILE A 128 -12.112 -1.897 8.199 1.00 23.34 H new ATOM 0 HA ILE A 128 -11.369 -1.014 5.685 1.00 41.21 H new ATOM 0 HB ILE A 128 -11.570 -3.344 5.025 1.00 41.00 H new ATOM 0 HG12 ILE A 128 -13.325 -3.561 7.420 1.00 24.13 H new ATOM 0 HG13 ILE A 128 -13.526 -4.215 5.807 1.00 24.13 H new ATOM 0 HG21 ILE A 128 -10.060 -4.284 6.750 1.00 22.42 H new ATOM 0 HG22 ILE A 128 -9.620 -2.614 6.322 1.00 22.42 H new ATOM 0 HG23 ILE A 128 -10.485 -2.944 7.842 1.00 22.42 H new ATOM 0 HD11 ILE A 128 -13.049 -6.006 7.425 1.00 3.21 H new ATOM 0 HD12 ILE A 128 -11.728 -5.872 6.239 1.00 3.21 H new ATOM 0 HD13 ILE A 128 -11.524 -5.208 7.878 1.00 3.21 H new ATOM 1981 N ASN A 129 -14.605 -1.525 5.852 1.00 45.22 N ATOM 1982 CA ASN A 129 -15.863 -1.107 5.248 1.00 30.15 C ATOM 1983 C ASN A 129 -15.863 0.399 4.972 1.00 11.10 C ATOM 1984 O ASN A 129 -15.995 0.815 3.822 1.00 4.20 O ATOM 1985 CB ASN A 129 -17.026 -1.483 6.172 1.00 12.22 C ATOM 1986 CG ASN A 129 -18.362 -0.999 5.624 1.00 22.01 C ATOM 1987 OD1 ASN A 129 -18.865 -1.534 4.639 1.00 13.15 O ATOM 1988 ND2 ASN A 129 -18.938 0.022 6.262 1.00 32.21 N ATOM 0 H ASN A 129 -14.720 -1.995 6.750 1.00 45.22 H new ATOM 0 HA ASN A 129 -15.982 -1.621 4.294 1.00 30.15 H new ATOM 0 HB2 ASN A 129 -17.055 -2.565 6.298 1.00 12.22 H new ATOM 0 HB3 ASN A 129 -16.860 -1.052 7.159 1.00 12.22 H new ATOM 0 HD21 ASN A 129 -19.832 0.388 5.935 1.00 32.21 H new ATOM 0 HD22 ASN A 129 -18.484 0.436 7.076 1.00 32.21 H new ATOM 1995 N ARG A 130 -15.735 1.206 6.033 1.00 41.21 N ATOM 1996 CA ARG A 130 -15.819 2.659 5.983 1.00 23.44 C ATOM 1997 C ARG A 130 -14.825 3.266 4.989 1.00 71.22 C ATOM 1998 O ARG A 130 -15.177 4.231 4.314 1.00 50.02 O ATOM 1999 CB ARG A 130 -15.625 3.261 7.383 1.00 14.55 C ATOM 2000 CG ARG A 130 -16.842 3.063 8.301 1.00 3.42 C ATOM 2001 CD ARG A 130 -17.961 4.073 8.016 1.00 4.53 C ATOM 2002 NE ARG A 130 -19.062 3.941 8.983 1.00 43.53 N ATOM 2003 CZ ARG A 130 -19.066 4.437 10.233 1.00 5.30 C ATOM 2004 NH1 ARG A 130 -17.999 5.088 10.721 1.00 4.23 N ATOM 2005 NH2 ARG A 130 -20.150 4.281 11.004 1.00 33.42 N ATOM 0 H ARG A 130 -15.565 0.849 6.973 1.00 41.21 H new ATOM 0 HA ARG A 130 -16.818 2.910 5.627 1.00 23.44 H new ATOM 0 HB2 ARG A 130 -14.750 2.808 7.848 1.00 14.55 H new ATOM 0 HB3 ARG A 130 -15.419 4.327 7.288 1.00 14.55 H new ATOM 0 HG2 ARG A 130 -17.228 2.052 8.174 1.00 3.42 H new ATOM 0 HG3 ARG A 130 -16.528 3.156 9.341 1.00 3.42 H new ATOM 0 HD2 ARG A 130 -17.559 5.085 8.056 1.00 4.53 H new ATOM 0 HD3 ARG A 130 -18.342 3.921 7.006 1.00 4.53 H new ATOM 0 HE ARG A 130 -19.892 3.431 8.680 1.00 43.53 H new ATOM 0 HH11 ARG A 130 -17.169 5.213 10.142 1.00 4.23 H new ATOM 0 HH12 ARG A 130 -18.018 5.458 11.671 1.00 4.23 H new ATOM 0 HH21 ARG A 130 -20.967 3.788 10.642 1.00 33.42 H new ATOM 0 HH22 ARG A 130 -20.159 4.655 11.953 1.00 33.42 H new ATOM 2019 N ILE A 131 -13.607 2.713 4.879 1.00 11.54 N ATOM 2020 CA ILE A 131 -12.604 3.239 3.958 1.00 52.04 C ATOM 2021 C ILE A 131 -13.166 3.225 2.529 1.00 31.30 C ATOM 2022 O ILE A 131 -13.011 4.199 1.800 1.00 41.34 O ATOM 2023 CB ILE A 131 -11.264 2.473 4.021 1.00 53.22 C ATOM 2024 CG1 ILE A 131 -10.728 2.098 5.417 1.00 1.34 C ATOM 2025 CG2 ILE A 131 -10.184 3.272 3.274 1.00 2.53 C ATOM 2026 CD1 ILE A 131 -10.926 3.114 6.550 1.00 73.31 C ATOM 0 H ILE A 131 -13.299 1.904 5.418 1.00 11.54 H new ATOM 0 HA ILE A 131 -12.385 4.262 4.264 1.00 52.04 H new ATOM 0 HB ILE A 131 -11.491 1.516 3.552 1.00 53.22 H new ATOM 0 HG12 ILE A 131 -11.200 1.163 5.718 1.00 1.34 H new ATOM 0 HG13 ILE A 131 -9.660 1.901 5.325 1.00 1.34 H new ATOM 0 HG21 ILE A 131 -9.238 2.733 3.317 1.00 2.53 H new ATOM 0 HG22 ILE A 131 -10.481 3.401 2.233 1.00 2.53 H new ATOM 0 HG23 ILE A 131 -10.066 4.250 3.741 1.00 2.53 H new ATOM 0 HD11 ILE A 131 -10.501 2.718 7.472 1.00 73.31 H new ATOM 0 HD12 ILE A 131 -10.427 4.048 6.292 1.00 73.31 H new ATOM 0 HD13 ILE A 131 -11.991 3.298 6.691 1.00 73.31 H new ATOM 2038 N ILE A 132 -13.837 2.134 2.139 1.00 14.41 N ATOM 2039 CA ILE A 132 -14.429 1.973 0.820 1.00 32.23 C ATOM 2040 C ILE A 132 -15.782 2.699 0.727 1.00 30.24 C ATOM 2041 O ILE A 132 -16.158 3.113 -0.365 1.00 63.42 O ATOM 2042 CB ILE A 132 -14.507 0.481 0.432 1.00 31.11 C ATOM 2043 CG1 ILE A 132 -13.148 -0.214 0.647 1.00 70.13 C ATOM 2044 CG2 ILE A 132 -14.918 0.323 -1.045 1.00 21.24 C ATOM 2045 CD1 ILE A 132 -13.196 -1.707 0.309 1.00 3.04 C ATOM 0 H ILE A 132 -13.982 1.328 2.748 1.00 14.41 H new ATOM 0 HA ILE A 132 -13.781 2.448 0.083 1.00 32.23 H new ATOM 0 HB ILE A 132 -15.257 0.015 1.071 1.00 31.11 H new ATOM 0 HG12 ILE A 132 -12.393 0.272 0.029 1.00 70.13 H new ATOM 0 HG13 ILE A 132 -12.839 -0.089 1.685 1.00 70.13 H new ATOM 0 HG21 ILE A 132 -14.967 -0.736 -1.298 1.00 21.24 H new ATOM 0 HG22 ILE A 132 -15.896 0.779 -1.201 1.00 21.24 H new ATOM 0 HG23 ILE A 132 -14.182 0.814 -1.682 1.00 21.24 H new ATOM 0 HD11 ILE A 132 -12.214 -2.150 0.477 1.00 3.04 H new ATOM 0 HD12 ILE A 132 -13.931 -2.201 0.945 1.00 3.04 H new ATOM 0 HD13 ILE A 132 -13.477 -1.835 -0.736 1.00 3.04 H new ATOM 2057 N ARG A 133 -16.516 2.890 1.835 1.00 32.25 N ATOM 2058 CA ARG A 133 -17.765 3.658 1.813 1.00 24.02 C ATOM 2059 C ARG A 133 -17.542 5.085 1.303 1.00 32.52 C ATOM 2060 O ARG A 133 -18.418 5.620 0.627 1.00 1.45 O ATOM 2061 CB ARG A 133 -18.446 3.689 3.190 1.00 42.22 C ATOM 2062 CG ARG A 133 -19.062 2.342 3.596 1.00 65.10 C ATOM 2063 CD ARG A 133 -20.428 2.101 2.936 1.00 63.10 C ATOM 2064 NE ARG A 133 -20.853 0.702 3.099 1.00 71.34 N ATOM 2065 CZ ARG A 133 -21.614 0.199 4.084 1.00 14.14 C ATOM 2066 NH1 ARG A 133 -22.150 0.990 5.025 1.00 73.24 N ATOM 2067 NH2 ARG A 133 -21.828 -1.122 4.131 1.00 31.14 N ATOM 0 H ARG A 133 -16.265 2.523 2.753 1.00 32.25 H new ATOM 0 HA ARG A 133 -18.430 3.144 1.119 1.00 24.02 H new ATOM 0 HB2 ARG A 133 -17.715 3.987 3.942 1.00 42.22 H new ATOM 0 HB3 ARG A 133 -19.226 4.450 3.184 1.00 42.22 H new ATOM 0 HG2 ARG A 133 -18.381 1.536 3.321 1.00 65.10 H new ATOM 0 HG3 ARG A 133 -19.174 2.309 4.680 1.00 65.10 H new ATOM 0 HD2 ARG A 133 -21.171 2.764 3.378 1.00 63.10 H new ATOM 0 HD3 ARG A 133 -20.372 2.347 1.875 1.00 63.10 H new ATOM 0 HE ARG A 133 -20.535 0.044 2.387 1.00 71.34 H new ATOM 0 HH11 ARG A 133 -21.983 1.996 5.002 1.00 73.24 H new ATOM 0 HH12 ARG A 133 -22.725 0.586 5.764 1.00 73.24 H new ATOM 0 HH21 ARG A 133 -21.415 -1.731 3.425 1.00 31.14 H new ATOM 0 HH22 ARG A 133 -22.404 -1.519 4.873 1.00 31.14 H new ATOM 2081 N THR A 134 -16.381 5.694 1.592 1.00 74.42 N ATOM 2082 CA THR A 134 -16.034 6.995 1.024 1.00 4.44 C ATOM 2083 C THR A 134 -15.932 6.928 -0.507 1.00 62.53 C ATOM 2084 O THR A 134 -16.227 7.915 -1.177 1.00 20.55 O ATOM 2085 CB THR A 134 -14.755 7.579 1.646 1.00 51.35 C ATOM 2086 OG1 THR A 134 -13.614 6.835 1.284 1.00 51.44 O ATOM 2087 CG2 THR A 134 -14.846 7.677 3.172 1.00 61.52 C ATOM 0 H THR A 134 -15.673 5.304 2.214 1.00 74.42 H new ATOM 0 HA THR A 134 -16.847 7.677 1.274 1.00 4.44 H new ATOM 0 HB THR A 134 -14.657 8.588 1.246 1.00 51.35 H new ATOM 0 HG1 THR A 134 -13.701 5.919 1.620 1.00 51.44 H new ATOM 0 HG21 THR A 134 -13.919 8.095 3.566 1.00 61.52 H new ATOM 0 HG22 THR A 134 -15.681 8.322 3.446 1.00 61.52 H new ATOM 0 HG23 THR A 134 -15.003 6.683 3.592 1.00 61.52 H new