USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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 106 SER OG : rot -38:sc= 1.29 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.925 K(o=2.2,f=1.2) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.118 (180deg=-0.593) USER MOD Single : A 56 ASN : amide:sc= -2.54 K(o=-2.5,f=-9.2!) USER MOD Single : A 65 GLN : amide:sc= 0.459! X(o=0.46!,f=-0.031) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.308 USER MOD Single : A 69 THR OG1 : rot -0:sc= 2.02 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 76 SER OG : rot 37:sc= 0.0757 USER MOD Single : A 84 THR OG1 : rot 139:sc= 1.47 USER MOD Single : A 86 SER OG : rot -160:sc= 0.1 USER MOD Single : A 89 HIS : no HD1:sc= -0.802 K(o=-0.8,f=-3.2!) USER MOD Single : A 95 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.0092) USER MOD Single : A 108 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 110 THR OG1 : rot -159:sc= 0.841 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.626 K(o=0.63,f=-1.9) USER MOD Single : A 120 GLN : amide:sc= -0.943! C(o=-0.94!,f=-5.6!) USER MOD Single : A 122 MET CE :methyl -160:sc= 0 (180deg=-0.758) USER MOD Single : A 123 GLN : amide:sc= 1.03 K(o=1,f=-0.78) USER MOD Single : A 124 THR OG1 : rot -179:sc= 0.448 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 52.594 -77.552 51.445 1.00 13.35 N ATOM 58 CA ASN A 5 52.428 -76.259 52.070 1.00 51.22 C ATOM 59 C ASN A 5 52.878 -75.162 51.150 1.00 30.12 C ATOM 60 O ASN A 5 54.042 -75.114 50.736 1.00 23.11 O ATOM 61 CB ASN A 5 53.167 -76.159 53.415 1.00 53.12 C ATOM 62 CG ASN A 5 52.533 -76.986 54.516 1.00 23.54 C ATOM 63 OD1 ASN A 5 52.882 -78.160 54.735 1.00 40.22 O ATOM 64 ND2 ASN A 5 51.588 -76.401 55.206 1.00 64.13 N ATOM 0 HA ASN A 5 51.363 -76.142 52.273 1.00 51.22 H new ATOM 0 HB2 ASN A 5 54.199 -76.481 53.278 1.00 53.12 H new ATOM 0 HB3 ASN A 5 53.197 -75.115 53.727 1.00 53.12 H new ATOM 0 HD21 ASN A 5 51.112 -76.909 55.951 1.00 64.13 H new ATOM 0 HD22 ASN A 5 51.328 -75.437 54.999 1.00 64.13 H new ATOM 71 N GLY A 6 51.970 -74.298 50.827 1.00 53.22 N ATOM 72 CA GLY A 6 52.240 -73.212 49.937 1.00 72.44 C ATOM 73 C GLY A 6 50.975 -72.775 49.271 1.00 22.05 C ATOM 74 O GLY A 6 50.343 -73.555 48.564 1.00 41.11 O ATOM 0 H GLY A 6 51.012 -74.325 51.176 1.00 53.22 H new ATOM 0 HA2 GLY A 6 52.678 -72.379 50.487 1.00 72.44 H new ATOM 0 HA3 GLY A 6 52.970 -73.517 49.187 1.00 72.44 H new ATOM 78 N THR A 7 50.565 -71.571 49.533 1.00 62.05 N ATOM 79 CA THR A 7 49.355 -71.048 48.970 1.00 73.11 C ATOM 80 C THR A 7 49.639 -70.528 47.559 1.00 23.13 C ATOM 81 O THR A 7 50.567 -69.721 47.382 1.00 33.11 O ATOM 82 CB THR A 7 48.840 -69.888 49.844 1.00 12.42 C ATOM 83 OG1 THR A 7 48.808 -70.312 51.219 1.00 54.15 O ATOM 84 CG2 THR A 7 47.440 -69.452 49.421 1.00 15.32 C ATOM 0 H THR A 7 51.060 -70.922 50.144 1.00 62.05 H new ATOM 0 HA THR A 7 48.602 -71.835 48.929 1.00 73.11 H new ATOM 0 HB THR A 7 49.514 -69.040 49.720 1.00 12.42 H new ATOM 0 HG1 THR A 7 48.483 -69.577 51.780 1.00 54.15 H new ATOM 0 HG21 THR A 7 47.106 -68.632 50.057 1.00 15.32 H new ATOM 0 HG22 THR A 7 47.460 -69.120 48.383 1.00 15.32 H new ATOM 0 HG23 THR A 7 46.752 -70.292 49.520 1.00 15.32 H new ATOM 92 N PRO A 8 48.888 -71.017 46.536 1.00 54.35 N ATOM 93 CA PRO A 8 49.017 -70.523 45.165 1.00 64.51 C ATOM 94 C PRO A 8 48.771 -69.020 45.135 1.00 71.34 C ATOM 95 O PRO A 8 47.742 -68.533 45.646 1.00 52.35 O ATOM 96 CB PRO A 8 47.906 -71.263 44.408 1.00 73.33 C ATOM 97 CG PRO A 8 47.658 -72.489 45.211 1.00 3.13 C ATOM 98 CD PRO A 8 47.882 -72.093 46.639 1.00 24.31 C ATOM 0 HA PRO A 8 50.004 -70.692 44.735 1.00 64.51 H new ATOM 0 HB2 PRO A 8 47.006 -70.653 44.328 1.00 73.33 H new ATOM 0 HB3 PRO A 8 48.215 -71.510 43.392 1.00 73.33 H new ATOM 0 HG2 PRO A 8 46.643 -72.856 45.061 1.00 3.13 H new ATOM 0 HG3 PRO A 8 48.334 -73.292 44.917 1.00 3.13 H new ATOM 0 HD2 PRO A 8 46.963 -71.742 47.108 1.00 24.31 H new ATOM 0 HD3 PRO A 8 48.246 -72.929 47.236 1.00 24.31 H new ATOM 106 N GLU A 9 49.690 -68.299 44.547 1.00 54.04 N ATOM 107 CA GLU A 9 49.654 -66.859 44.576 1.00 65.22 C ATOM 108 C GLU A 9 48.602 -66.296 43.631 1.00 51.15 C ATOM 109 O GLU A 9 48.646 -66.552 42.419 1.00 12.12 O ATOM 110 CB GLU A 9 51.022 -66.283 44.234 1.00 22.11 C ATOM 111 CG GLU A 9 52.136 -66.780 45.129 1.00 22.31 C ATOM 112 CD GLU A 9 53.419 -66.046 44.888 1.00 21.41 C ATOM 113 OE1 GLU A 9 54.180 -66.414 43.972 1.00 50.21 O ATOM 114 OE2 GLU A 9 53.682 -65.069 45.611 1.00 62.03 O ATOM 0 H GLU A 9 50.481 -68.691 44.037 1.00 54.04 H new ATOM 0 HA GLU A 9 49.382 -66.565 45.590 1.00 65.22 H new ATOM 0 HB2 GLU A 9 51.262 -66.531 43.200 1.00 22.11 H new ATOM 0 HB3 GLU A 9 50.974 -65.196 44.299 1.00 22.11 H new ATOM 0 HG2 GLU A 9 51.842 -66.664 46.172 1.00 22.31 H new ATOM 0 HG3 GLU A 9 52.290 -67.845 44.958 1.00 22.31 H new ATOM 121 N PRO A 10 47.628 -65.542 44.164 1.00 75.23 N ATOM 122 CA PRO A 10 46.630 -64.888 43.353 1.00 20.34 C ATOM 123 C PRO A 10 47.177 -63.577 42.794 1.00 22.44 C ATOM 124 O PRO A 10 47.742 -62.762 43.538 1.00 0.14 O ATOM 125 CB PRO A 10 45.466 -64.611 44.321 1.00 74.21 C ATOM 126 CG PRO A 10 45.966 -64.933 45.702 1.00 11.23 C ATOM 127 CD PRO A 10 47.429 -65.265 45.598 1.00 75.10 C ATOM 0 HA PRO A 10 46.326 -65.494 42.499 1.00 20.34 H new ATOM 0 HB2 PRO A 10 45.149 -63.570 44.257 1.00 74.21 H new ATOM 0 HB3 PRO A 10 44.600 -65.224 44.070 1.00 74.21 H new ATOM 0 HG2 PRO A 10 45.814 -64.085 46.370 1.00 11.23 H new ATOM 0 HG3 PRO A 10 45.413 -65.773 46.122 1.00 11.23 H new ATOM 0 HD2 PRO A 10 48.052 -64.436 45.935 1.00 75.10 H new ATOM 0 HD3 PRO A 10 47.688 -66.128 46.211 1.00 75.10 H new ATOM 135 N GLN A 11 47.048 -63.380 41.511 1.00 32.11 N ATOM 136 CA GLN A 11 47.521 -62.168 40.894 1.00 24.35 C ATOM 137 C GLN A 11 46.403 -61.138 40.927 1.00 24.51 C ATOM 138 O GLN A 11 45.317 -61.369 40.393 1.00 31.55 O ATOM 139 CB GLN A 11 48.005 -62.436 39.465 1.00 74.31 C ATOM 140 CG GLN A 11 48.624 -61.224 38.785 1.00 52.05 C ATOM 141 CD GLN A 11 49.184 -61.524 37.407 1.00 61.53 C ATOM 142 OE1 GLN A 11 48.702 -62.405 36.694 1.00 1.22 O ATOM 143 NE2 GLN A 11 50.197 -60.787 37.016 1.00 35.50 N ATOM 0 H GLN A 11 46.618 -64.045 40.869 1.00 32.11 H new ATOM 0 HA GLN A 11 48.377 -61.780 41.446 1.00 24.35 H new ATOM 0 HB2 GLN A 11 48.738 -63.242 39.486 1.00 74.31 H new ATOM 0 HB3 GLN A 11 47.164 -62.785 38.867 1.00 74.31 H new ATOM 0 HG2 GLN A 11 47.871 -60.441 38.700 1.00 52.05 H new ATOM 0 HG3 GLN A 11 49.422 -60.832 39.415 1.00 52.05 H new ATOM 0 HE21 GLN A 11 50.571 -60.066 37.633 1.00 35.50 H new ATOM 0 HE22 GLN A 11 50.610 -60.935 36.095 1.00 35.50 H new ATOM 152 N VAL A 12 46.653 -60.030 41.580 1.00 54.12 N ATOM 153 CA VAL A 12 45.648 -59.019 41.764 1.00 53.33 C ATOM 154 C VAL A 12 45.692 -57.981 40.647 1.00 62.24 C ATOM 155 O VAL A 12 46.662 -57.920 39.869 1.00 32.02 O ATOM 156 CB VAL A 12 45.827 -58.301 43.130 1.00 21.44 C ATOM 157 CG1 VAL A 12 45.831 -59.297 44.284 1.00 54.05 C ATOM 158 CG2 VAL A 12 47.084 -57.431 43.157 1.00 62.01 C ATOM 0 H VAL A 12 47.557 -59.806 41.997 1.00 54.12 H new ATOM 0 HA VAL A 12 44.681 -59.522 41.742 1.00 53.33 H new ATOM 0 HB VAL A 12 44.969 -57.640 43.256 1.00 21.44 H new ATOM 0 HG11 VAL A 12 45.958 -58.763 45.225 1.00 54.05 H new ATOM 0 HG12 VAL A 12 44.886 -59.840 44.299 1.00 54.05 H new ATOM 0 HG13 VAL A 12 46.652 -60.002 44.153 1.00 54.05 H new ATOM 0 HG21 VAL A 12 47.171 -56.947 44.130 1.00 62.01 H new ATOM 0 HG22 VAL A 12 47.961 -58.054 42.982 1.00 62.01 H new ATOM 0 HG23 VAL A 12 47.017 -56.671 42.379 1.00 62.01 H new ATOM 168 N GLU A 13 44.665 -57.183 40.574 1.00 60.23 N ATOM 169 CA GLU A 13 44.570 -56.101 39.645 1.00 31.24 C ATOM 170 C GLU A 13 45.002 -54.816 40.341 1.00 75.21 C ATOM 171 O GLU A 13 44.719 -54.616 41.528 1.00 42.23 O ATOM 172 CB GLU A 13 43.133 -55.938 39.090 1.00 32.43 C ATOM 173 CG GLU A 13 42.031 -55.663 40.134 1.00 31.11 C ATOM 174 CD GLU A 13 41.608 -56.885 40.917 1.00 54.04 C ATOM 175 OE1 GLU A 13 42.329 -57.307 41.850 1.00 2.32 O ATOM 176 OE2 GLU A 13 40.562 -57.469 40.588 1.00 11.42 O ATOM 0 H GLU A 13 43.848 -57.273 41.179 1.00 60.23 H new ATOM 0 HA GLU A 13 45.223 -56.317 38.799 1.00 31.24 H new ATOM 0 HB2 GLU A 13 43.134 -55.121 38.369 1.00 32.43 H new ATOM 0 HB3 GLU A 13 42.871 -56.844 38.544 1.00 32.43 H new ATOM 0 HG2 GLU A 13 42.386 -54.903 40.830 1.00 31.11 H new ATOM 0 HG3 GLU A 13 41.159 -55.249 39.627 1.00 31.11 H new ATOM 183 N THR A 14 45.702 -53.977 39.648 1.00 22.10 N ATOM 184 CA THR A 14 46.132 -52.735 40.209 1.00 51.30 C ATOM 185 C THR A 14 45.571 -51.580 39.399 1.00 3.51 C ATOM 186 O THR A 14 46.028 -51.293 38.296 1.00 43.50 O ATOM 187 CB THR A 14 47.668 -52.652 40.292 1.00 32.22 C ATOM 188 OG1 THR A 14 48.142 -53.791 41.026 1.00 2.52 O ATOM 189 CG2 THR A 14 48.111 -51.382 41.012 1.00 62.43 C ATOM 0 H THR A 14 45.991 -54.131 38.682 1.00 22.10 H new ATOM 0 HA THR A 14 45.750 -52.671 41.228 1.00 51.30 H new ATOM 0 HB THR A 14 48.077 -52.636 39.282 1.00 32.22 H new ATOM 0 HG1 THR A 14 49.119 -53.757 41.088 1.00 2.52 H new ATOM 0 HG21 THR A 14 49.200 -51.350 41.056 1.00 62.43 H new ATOM 0 HG22 THR A 14 47.744 -50.510 40.471 1.00 62.43 H new ATOM 0 HG23 THR A 14 47.707 -51.378 42.024 1.00 62.43 H new ATOM 197 N THR A 15 44.555 -50.979 39.924 1.00 20.43 N ATOM 198 CA THR A 15 43.942 -49.857 39.334 1.00 40.41 C ATOM 199 C THR A 15 43.979 -48.770 40.388 1.00 71.50 C ATOM 200 O THR A 15 43.864 -49.059 41.590 1.00 21.52 O ATOM 201 CB THR A 15 42.483 -50.191 38.933 1.00 50.33 C ATOM 202 OG1 THR A 15 42.480 -51.396 38.143 1.00 35.31 O ATOM 203 CG2 THR A 15 41.860 -49.066 38.111 1.00 62.51 C ATOM 0 H THR A 15 44.123 -51.271 40.801 1.00 20.43 H new ATOM 0 HA THR A 15 44.454 -49.544 38.424 1.00 40.41 H new ATOM 0 HB THR A 15 41.898 -50.319 39.844 1.00 50.33 H new ATOM 0 HG1 THR A 15 41.560 -51.616 37.886 1.00 35.31 H new ATOM 0 HG21 THR A 15 40.837 -49.332 37.846 1.00 62.51 H new ATOM 0 HG22 THR A 15 41.856 -48.147 38.697 1.00 62.51 H new ATOM 0 HG23 THR A 15 42.442 -48.914 37.202 1.00 62.51 H new ATOM 211 N SER A 16 44.213 -47.587 39.985 1.00 35.23 N ATOM 212 CA SER A 16 44.312 -46.513 40.888 1.00 12.22 C ATOM 213 C SER A 16 43.468 -45.366 40.373 1.00 23.55 C ATOM 214 O SER A 16 43.313 -45.195 39.156 1.00 41.11 O ATOM 215 CB SER A 16 45.789 -46.111 41.049 1.00 11.14 C ATOM 216 OG SER A 16 45.978 -45.167 42.098 1.00 44.20 O ATOM 0 H SER A 16 44.343 -47.331 39.006 1.00 35.23 H new ATOM 0 HA SER A 16 43.940 -46.799 41.872 1.00 12.22 H new ATOM 0 HB2 SER A 16 46.386 -47.000 41.251 1.00 11.14 H new ATOM 0 HB3 SER A 16 46.153 -45.689 40.112 1.00 11.14 H new ATOM 0 HG SER A 16 46.929 -44.941 42.167 1.00 44.20 H new ATOM 222 N VAL A 17 42.894 -44.623 41.277 1.00 21.45 N ATOM 223 CA VAL A 17 42.075 -43.504 40.927 1.00 23.32 C ATOM 224 C VAL A 17 42.932 -42.272 40.737 1.00 40.01 C ATOM 225 O VAL A 17 43.904 -42.044 41.480 1.00 1.41 O ATOM 226 CB VAL A 17 40.942 -43.223 41.967 1.00 40.33 C ATOM 227 CG1 VAL A 17 39.947 -44.374 42.007 1.00 3.54 C ATOM 228 CG2 VAL A 17 41.507 -42.969 43.365 1.00 72.15 C ATOM 0 H VAL A 17 42.983 -44.780 42.281 1.00 21.45 H new ATOM 0 HA VAL A 17 41.580 -43.757 39.990 1.00 23.32 H new ATOM 0 HB VAL A 17 40.425 -42.319 41.644 1.00 40.33 H new ATOM 0 HG11 VAL A 17 39.168 -44.156 42.738 1.00 3.54 H new ATOM 0 HG12 VAL A 17 39.496 -44.500 41.023 1.00 3.54 H new ATOM 0 HG13 VAL A 17 40.463 -45.291 42.290 1.00 3.54 H new ATOM 0 HG21 VAL A 17 40.689 -42.778 44.059 1.00 72.15 H new ATOM 0 HG22 VAL A 17 42.066 -43.844 43.696 1.00 72.15 H new ATOM 0 HG23 VAL A 17 42.169 -42.104 43.338 1.00 72.15 H new ATOM 616 N GLY A 45 5.447 -14.676 2.052 1.00 25.42 N ATOM 617 CA GLY A 45 4.923 -14.123 3.273 1.00 52.42 C ATOM 618 C GLY A 45 4.728 -12.674 3.033 1.00 55.13 C ATOM 619 O GLY A 45 4.994 -11.836 3.869 1.00 33.01 O ATOM 0 HA2 GLY A 45 3.981 -14.601 3.542 1.00 52.42 H new ATOM 0 HA3 GLY A 45 5.613 -14.289 4.101 1.00 52.42 H new ATOM 623 N SER A 46 4.273 -12.414 1.855 1.00 74.11 N ATOM 624 CA SER A 46 4.157 -11.116 1.305 1.00 54.33 C ATOM 625 C SER A 46 2.787 -10.505 1.602 1.00 10.14 C ATOM 626 O SER A 46 1.871 -11.187 2.058 1.00 73.41 O ATOM 627 CB SER A 46 4.337 -11.284 -0.190 1.00 54.33 C ATOM 628 OG SER A 46 5.458 -12.128 -0.450 1.00 42.43 O ATOM 0 H SER A 46 3.956 -13.145 1.219 1.00 74.11 H new ATOM 0 HA SER A 46 4.899 -10.444 1.736 1.00 54.33 H new ATOM 0 HB2 SER A 46 3.437 -11.715 -0.628 1.00 54.33 H new ATOM 0 HB3 SER A 46 4.486 -10.311 -0.659 1.00 54.33 H new ATOM 0 HG SER A 46 5.569 -12.235 -1.418 1.00 42.43 H new ATOM 634 N ALA A 47 2.672 -9.228 1.363 1.00 31.31 N ATOM 635 CA ALA A 47 1.435 -8.504 1.513 1.00 25.13 C ATOM 636 C ALA A 47 1.263 -7.674 0.267 1.00 51.31 C ATOM 637 O ALA A 47 2.256 -7.420 -0.427 1.00 23.04 O ATOM 638 CB ALA A 47 1.489 -7.620 2.748 1.00 75.30 C ATOM 0 H ALA A 47 3.451 -8.647 1.052 1.00 31.31 H new ATOM 0 HA ALA A 47 0.593 -9.184 1.641 1.00 25.13 H new ATOM 0 HB1 ALA A 47 0.548 -7.079 2.849 1.00 75.30 H new ATOM 0 HB2 ALA A 47 1.649 -8.238 3.631 1.00 75.30 H new ATOM 0 HB3 ALA A 47 2.309 -6.908 2.650 1.00 75.30 H new ATOM 644 N LEU A 48 0.056 -7.282 -0.061 1.00 51.12 N ATOM 645 CA LEU A 48 -0.141 -6.507 -1.264 1.00 14.22 C ATOM 646 C LEU A 48 -1.058 -5.320 -1.026 1.00 21.14 C ATOM 647 O LEU A 48 -1.920 -5.346 -0.140 1.00 51.13 O ATOM 648 CB LEU A 48 -0.573 -7.405 -2.470 1.00 1.14 C ATOM 649 CG LEU A 48 -1.920 -8.151 -2.402 1.00 21.31 C ATOM 650 CD1 LEU A 48 -3.082 -7.235 -2.750 1.00 0.54 C ATOM 651 CD2 LEU A 48 -1.905 -9.367 -3.315 1.00 21.51 C ATOM 0 H LEU A 48 -0.789 -7.481 0.474 1.00 51.12 H new ATOM 0 HA LEU A 48 0.822 -6.081 -1.547 1.00 14.22 H new ATOM 0 HB2 LEU A 48 -0.590 -6.775 -3.359 1.00 1.14 H new ATOM 0 HB3 LEU A 48 0.208 -8.150 -2.622 1.00 1.14 H new ATOM 0 HG LEU A 48 -2.060 -8.488 -1.375 1.00 21.31 H new ATOM 0 HD11 LEU A 48 -4.016 -7.794 -2.692 1.00 0.54 H new ATOM 0 HD12 LEU A 48 -3.113 -6.403 -2.046 1.00 0.54 H new ATOM 0 HD13 LEU A 48 -2.952 -6.850 -3.761 1.00 0.54 H new ATOM 0 HD21 LEU A 48 -2.865 -9.880 -3.253 1.00 21.51 H new ATOM 0 HD22 LEU A 48 -1.730 -9.048 -4.343 1.00 21.51 H new ATOM 0 HD23 LEU A 48 -1.110 -10.045 -3.005 1.00 21.51 H new ATOM 663 N LEU A 49 -0.866 -4.296 -1.799 1.00 14.12 N ATOM 664 CA LEU A 49 -1.643 -3.094 -1.696 1.00 25.44 C ATOM 665 C LEU A 49 -2.224 -2.750 -3.047 1.00 35.14 C ATOM 666 O LEU A 49 -1.544 -2.877 -4.075 1.00 71.43 O ATOM 667 CB LEU A 49 -0.806 -1.889 -1.167 1.00 31.52 C ATOM 668 CG LEU A 49 0.453 -1.465 -1.976 1.00 54.31 C ATOM 669 CD1 LEU A 49 0.859 -0.051 -1.624 1.00 45.40 C ATOM 670 CD2 LEU A 49 1.624 -2.379 -1.677 1.00 12.31 C ATOM 0 H LEU A 49 -0.156 -4.269 -2.530 1.00 14.12 H new ATOM 0 HA LEU A 49 -2.439 -3.281 -0.976 1.00 25.44 H new ATOM 0 HB2 LEU A 49 -1.468 -1.025 -1.102 1.00 31.52 H new ATOM 0 HB3 LEU A 49 -0.487 -2.124 -0.151 1.00 31.52 H new ATOM 0 HG LEU A 49 0.195 -1.531 -3.033 1.00 54.31 H new ATOM 0 HD11 LEU A 49 1.741 0.228 -2.200 1.00 45.40 H new ATOM 0 HD12 LEU A 49 0.042 0.631 -1.859 1.00 45.40 H new ATOM 0 HD13 LEU A 49 1.087 0.008 -0.560 1.00 45.40 H new ATOM 0 HD21 LEU A 49 2.491 -2.060 -2.256 1.00 12.31 H new ATOM 0 HD22 LEU A 49 1.860 -2.332 -0.614 1.00 12.31 H new ATOM 0 HD23 LEU A 49 1.364 -3.403 -1.946 1.00 12.31 H new ATOM 682 N VAL A 50 -3.467 -2.366 -3.062 1.00 61.03 N ATOM 683 CA VAL A 50 -4.095 -1.922 -4.277 1.00 41.24 C ATOM 684 C VAL A 50 -4.441 -0.441 -4.151 1.00 55.31 C ATOM 685 O VAL A 50 -5.016 0.004 -3.139 1.00 0.25 O ATOM 686 CB VAL A 50 -5.343 -2.780 -4.691 1.00 31.23 C ATOM 687 CG1 VAL A 50 -4.956 -4.231 -4.921 1.00 24.13 C ATOM 688 CG2 VAL A 50 -6.468 -2.697 -3.675 1.00 41.21 C ATOM 0 H VAL A 50 -4.072 -2.351 -2.241 1.00 61.03 H new ATOM 0 HA VAL A 50 -3.380 -2.063 -5.088 1.00 41.24 H new ATOM 0 HB VAL A 50 -5.712 -2.357 -5.625 1.00 31.23 H new ATOM 0 HG11 VAL A 50 -5.839 -4.802 -5.206 1.00 24.13 H new ATOM 0 HG12 VAL A 50 -4.214 -4.288 -5.717 1.00 24.13 H new ATOM 0 HG13 VAL A 50 -4.537 -4.645 -4.004 1.00 24.13 H new ATOM 0 HG21 VAL A 50 -7.306 -3.308 -4.010 1.00 41.21 H new ATOM 0 HG22 VAL A 50 -6.115 -3.062 -2.711 1.00 41.21 H new ATOM 0 HG23 VAL A 50 -6.792 -1.661 -3.574 1.00 41.21 H new ATOM 698 N VAL A 51 -4.038 0.322 -5.124 1.00 3.21 N ATOM 699 CA VAL A 51 -4.243 1.742 -5.106 1.00 53.54 C ATOM 700 C VAL A 51 -5.504 2.077 -5.864 1.00 3.14 C ATOM 701 O VAL A 51 -5.690 1.641 -7.004 1.00 64.32 O ATOM 702 CB VAL A 51 -3.036 2.514 -5.733 1.00 3.12 C ATOM 703 CG1 VAL A 51 -3.199 4.011 -5.519 1.00 72.42 C ATOM 704 CG2 VAL A 51 -1.724 2.038 -5.123 1.00 14.13 C ATOM 0 H VAL A 51 -3.557 -0.023 -5.955 1.00 3.21 H new ATOM 0 HA VAL A 51 -4.333 2.053 -4.065 1.00 53.54 H new ATOM 0 HB VAL A 51 -3.016 2.312 -6.804 1.00 3.12 H new ATOM 0 HG11 VAL A 51 -2.352 4.536 -5.960 1.00 72.42 H new ATOM 0 HG12 VAL A 51 -4.121 4.348 -5.992 1.00 72.42 H new ATOM 0 HG13 VAL A 51 -3.241 4.223 -4.451 1.00 72.42 H new ATOM 0 HG21 VAL A 51 -0.895 2.586 -5.571 1.00 14.13 H new ATOM 0 HG22 VAL A 51 -1.737 2.215 -4.048 1.00 14.13 H new ATOM 0 HG23 VAL A 51 -1.600 0.972 -5.314 1.00 14.13 H new ATOM 714 N LYS A 52 -6.389 2.784 -5.214 1.00 42.11 N ATOM 715 CA LYS A 52 -7.596 3.237 -5.853 1.00 0.32 C ATOM 716 C LYS A 52 -7.424 4.654 -6.339 1.00 72.30 C ATOM 717 O LYS A 52 -7.961 5.039 -7.374 1.00 31.42 O ATOM 718 CB LYS A 52 -8.796 3.104 -4.928 1.00 43.43 C ATOM 719 CG LYS A 52 -9.178 1.665 -4.664 1.00 34.11 C ATOM 720 CD LYS A 52 -10.453 1.561 -3.869 1.00 71.40 C ATOM 721 CE LYS A 52 -10.983 0.136 -3.870 1.00 42.41 C ATOM 722 NZ LYS A 52 -11.348 -0.316 -5.238 1.00 64.43 N ATOM 0 H LYS A 52 -6.296 3.060 -4.237 1.00 42.11 H new ATOM 0 HA LYS A 52 -7.790 2.601 -6.717 1.00 0.32 H new ATOM 0 HB2 LYS A 52 -8.575 3.596 -3.981 1.00 43.43 H new ATOM 0 HB3 LYS A 52 -9.646 3.626 -5.367 1.00 43.43 H new ATOM 0 HG2 LYS A 52 -9.297 1.141 -5.612 1.00 34.11 H new ATOM 0 HG3 LYS A 52 -8.372 1.168 -4.124 1.00 34.11 H new ATOM 0 HD2 LYS A 52 -10.274 1.885 -2.844 1.00 71.40 H new ATOM 0 HD3 LYS A 52 -11.203 2.232 -4.289 1.00 71.40 H new ATOM 0 HE2 LYS A 52 -10.229 -0.533 -3.455 1.00 42.41 H new ATOM 0 HE3 LYS A 52 -11.856 0.073 -3.221 1.00 42.41 H new ATOM 0 HZ1 LYS A 52 -12.039 -1.090 -5.175 1.00 64.43 H new ATOM 0 HZ2 LYS A 52 -11.764 0.477 -5.766 1.00 64.43 H new ATOM 0 HZ3 LYS A 52 -10.496 -0.652 -5.731 1.00 64.43 H new ATOM 736 N ARG A 53 -6.665 5.422 -5.591 1.00 4.01 N ATOM 737 CA ARG A 53 -6.325 6.779 -5.953 1.00 43.13 C ATOM 738 C ARG A 53 -5.189 7.241 -5.097 1.00 74.53 C ATOM 739 O ARG A 53 -5.285 7.213 -3.871 1.00 13.33 O ATOM 740 CB ARG A 53 -7.517 7.752 -5.827 1.00 74.21 C ATOM 741 CG ARG A 53 -7.176 9.214 -6.166 1.00 71.50 C ATOM 742 CD ARG A 53 -6.659 9.352 -7.594 1.00 51.25 C ATOM 743 NE ARG A 53 -6.197 10.716 -7.909 1.00 53.14 N ATOM 744 CZ ARG A 53 -5.362 11.020 -8.924 1.00 14.32 C ATOM 745 NH1 ARG A 53 -4.849 10.058 -9.678 1.00 4.32 N ATOM 746 NH2 ARG A 53 -5.020 12.283 -9.148 1.00 72.42 N ATOM 0 H ARG A 53 -6.262 5.119 -4.704 1.00 4.01 H new ATOM 0 HA ARG A 53 -6.037 6.779 -7.004 1.00 43.13 H new ATOM 0 HB2 ARG A 53 -8.318 7.415 -6.486 1.00 74.21 H new ATOM 0 HB3 ARG A 53 -7.902 7.707 -4.808 1.00 74.21 H new ATOM 0 HG2 ARG A 53 -8.063 9.834 -6.038 1.00 71.50 H new ATOM 0 HG3 ARG A 53 -6.424 9.584 -5.469 1.00 71.50 H new ATOM 0 HD2 ARG A 53 -5.838 8.652 -7.747 1.00 51.25 H new ATOM 0 HD3 ARG A 53 -7.450 9.072 -8.290 1.00 51.25 H new ATOM 0 HE ARG A 53 -6.530 11.480 -7.321 1.00 53.14 H new ATOM 0 HH11 ARG A 53 -5.085 9.083 -9.492 1.00 4.32 H new ATOM 0 HH12 ARG A 53 -4.218 10.292 -10.444 1.00 4.32 H new ATOM 0 HH21 ARG A 53 -5.389 13.024 -8.552 1.00 72.42 H new ATOM 0 HH22 ARG A 53 -4.389 12.512 -9.916 1.00 72.42 H new ATOM 760 N GLY A 54 -4.126 7.612 -5.738 1.00 53.12 N ATOM 761 CA GLY A 54 -2.979 8.128 -5.089 1.00 45.20 C ATOM 762 C GLY A 54 -2.136 8.822 -6.111 1.00 34.31 C ATOM 763 O GLY A 54 -2.367 8.623 -7.305 1.00 32.33 O ATOM 0 H GLY A 54 -4.037 7.560 -6.753 1.00 53.12 H new ATOM 0 HA2 GLY A 54 -3.269 8.822 -4.300 1.00 45.20 H new ATOM 0 HA3 GLY A 54 -2.416 7.324 -4.615 1.00 45.20 H new ATOM 767 N PRO A 55 -1.162 9.647 -5.712 1.00 60.10 N ATOM 768 CA PRO A 55 -0.300 10.358 -6.658 1.00 41.02 C ATOM 769 C PRO A 55 0.630 9.397 -7.395 1.00 40.50 C ATOM 770 O PRO A 55 1.172 9.705 -8.465 1.00 33.03 O ATOM 771 CB PRO A 55 0.524 11.300 -5.770 1.00 23.42 C ATOM 772 CG PRO A 55 -0.135 11.279 -4.438 1.00 4.31 C ATOM 773 CD PRO A 55 -0.802 9.945 -4.322 1.00 43.10 C ATOM 0 HA PRO A 55 -0.876 10.876 -7.425 1.00 41.02 H new ATOM 0 HB2 PRO A 55 1.559 10.966 -5.700 1.00 23.42 H new ATOM 0 HB3 PRO A 55 0.542 12.309 -6.182 1.00 23.42 H new ATOM 0 HG2 PRO A 55 0.595 11.420 -3.641 1.00 4.31 H new ATOM 0 HG3 PRO A 55 -0.862 12.086 -4.351 1.00 4.31 H new ATOM 0 HD2 PRO A 55 -0.133 9.192 -3.906 1.00 43.10 H new ATOM 0 HD3 PRO A 55 -1.679 9.985 -3.676 1.00 43.10 H new ATOM 781 N ASN A 56 0.817 8.249 -6.797 1.00 34.12 N ATOM 782 CA ASN A 56 1.673 7.225 -7.309 1.00 53.05 C ATOM 783 C ASN A 56 1.129 6.599 -8.583 1.00 24.32 C ATOM 784 O ASN A 56 1.761 6.691 -9.639 1.00 21.12 O ATOM 785 CB ASN A 56 1.923 6.143 -6.249 1.00 72.03 C ATOM 786 CG ASN A 56 0.696 5.436 -5.674 1.00 65.20 C ATOM 787 OD1 ASN A 56 -0.402 5.980 -5.633 1.00 45.13 O ATOM 788 ND2 ASN A 56 0.901 4.251 -5.172 1.00 71.54 N ATOM 0 H ASN A 56 0.364 8.000 -5.918 1.00 34.12 H new ATOM 0 HA ASN A 56 2.620 7.703 -7.560 1.00 53.05 H new ATOM 0 HB2 ASN A 56 2.576 5.387 -6.685 1.00 72.03 H new ATOM 0 HB3 ASN A 56 2.469 6.598 -5.423 1.00 72.03 H new ATOM 0 HD21 ASN A 56 0.135 3.746 -4.727 1.00 71.54 H new ATOM 0 HD22 ASN A 56 1.828 3.829 -5.224 1.00 71.54 H new ATOM 795 N ALA A 57 -0.061 6.029 -8.492 1.00 2.32 N ATOM 796 CA ALA A 57 -0.669 5.263 -9.556 1.00 73.20 C ATOM 797 C ALA A 57 -2.078 4.862 -9.111 1.00 33.33 C ATOM 798 O ALA A 57 -2.695 5.552 -8.296 1.00 45.44 O ATOM 799 CB ALA A 57 0.181 4.006 -9.819 1.00 12.52 C ATOM 0 H ALA A 57 -0.641 6.090 -7.655 1.00 2.32 H new ATOM 0 HA ALA A 57 -0.725 5.850 -10.473 1.00 73.20 H new ATOM 0 HB1 ALA A 57 -0.271 3.422 -10.621 1.00 12.52 H new ATOM 0 HB2 ALA A 57 1.189 4.303 -10.110 1.00 12.52 H new ATOM 0 HB3 ALA A 57 0.228 3.402 -8.913 1.00 12.52 H new ATOM 805 N GLY A 58 -2.566 3.774 -9.650 1.00 0.52 N ATOM 806 CA GLY A 58 -3.849 3.231 -9.338 1.00 22.41 C ATOM 807 C GLY A 58 -3.846 1.784 -9.750 1.00 5.23 C ATOM 808 O GLY A 58 -4.705 1.336 -10.513 1.00 21.21 O ATOM 0 H GLY A 58 -2.056 3.227 -10.343 1.00 0.52 H new ATOM 0 HA2 GLY A 58 -4.055 3.325 -8.272 1.00 22.41 H new ATOM 0 HA3 GLY A 58 -4.633 3.777 -9.863 1.00 22.41 H new ATOM 812 N ALA A 59 -2.857 1.059 -9.243 1.00 51.32 N ATOM 813 CA ALA A 59 -2.602 -0.307 -9.610 1.00 21.01 C ATOM 814 C ALA A 59 -2.319 -1.097 -8.353 1.00 54.34 C ATOM 815 O ALA A 59 -2.534 -0.597 -7.249 1.00 50.24 O ATOM 816 CB ALA A 59 -1.403 -0.369 -10.556 1.00 62.23 C ATOM 0 H ALA A 59 -2.202 1.422 -8.551 1.00 51.32 H new ATOM 0 HA ALA A 59 -3.468 -0.729 -10.120 1.00 21.01 H new ATOM 0 HB1 ALA A 59 -1.211 -1.406 -10.833 1.00 62.23 H new ATOM 0 HB2 ALA A 59 -1.617 0.213 -11.453 1.00 62.23 H new ATOM 0 HB3 ALA A 59 -0.525 0.042 -10.058 1.00 62.23 H new ATOM 822 N ARG A 60 -1.822 -2.288 -8.505 1.00 41.04 N ATOM 823 CA ARG A 60 -1.557 -3.138 -7.381 1.00 13.10 C ATOM 824 C ARG A 60 -0.072 -3.417 -7.265 1.00 31.34 C ATOM 825 O ARG A 60 0.634 -3.496 -8.278 1.00 51.51 O ATOM 826 CB ARG A 60 -2.350 -4.426 -7.511 1.00 45.10 C ATOM 827 CG ARG A 60 -2.007 -5.253 -8.747 1.00 34.04 C ATOM 828 CD ARG A 60 -2.852 -6.502 -8.836 1.00 51.33 C ATOM 829 NE ARG A 60 -4.280 -6.189 -8.884 1.00 33.41 N ATOM 830 CZ ARG A 60 -5.259 -7.092 -8.827 1.00 13.13 C ATOM 831 NH1 ARG A 60 -4.981 -8.398 -8.874 1.00 62.40 N ATOM 832 NH2 ARG A 60 -6.512 -6.690 -8.757 1.00 43.13 N ATOM 0 H ARG A 60 -1.589 -2.698 -9.409 1.00 41.04 H new ATOM 0 HA ARG A 60 -1.871 -2.632 -6.468 1.00 13.10 H new ATOM 0 HB2 ARG A 60 -2.180 -5.034 -6.623 1.00 45.10 H new ATOM 0 HB3 ARG A 60 -3.413 -4.184 -7.534 1.00 45.10 H new ATOM 0 HG2 ARG A 60 -2.156 -4.649 -9.642 1.00 34.04 H new ATOM 0 HG3 ARG A 60 -0.953 -5.528 -8.720 1.00 34.04 H new ATOM 0 HD2 ARG A 60 -2.573 -7.067 -9.726 1.00 51.33 H new ATOM 0 HD3 ARG A 60 -2.648 -7.141 -7.976 1.00 51.33 H new ATOM 0 HE ARG A 60 -4.546 -5.208 -8.967 1.00 33.41 H new ATOM 0 HH11 ARG A 60 -4.013 -8.711 -8.954 1.00 62.40 H new ATOM 0 HH12 ARG A 60 -5.736 -9.082 -8.830 1.00 62.40 H new ATOM 0 HH21 ARG A 60 -6.728 -5.693 -8.747 1.00 43.13 H new ATOM 0 HH22 ARG A 60 -7.266 -7.376 -8.713 1.00 43.13 H new ATOM 846 N PHE A 61 0.399 -3.522 -6.049 1.00 64.42 N ATOM 847 CA PHE A 61 1.799 -3.788 -5.774 1.00 63.42 C ATOM 848 C PHE A 61 1.885 -4.826 -4.661 1.00 44.40 C ATOM 849 O PHE A 61 1.076 -4.804 -3.736 1.00 43.12 O ATOM 850 CB PHE A 61 2.526 -2.498 -5.326 1.00 24.41 C ATOM 851 CG PHE A 61 2.435 -1.351 -6.306 1.00 23.30 C ATOM 852 CD1 PHE A 61 3.271 -1.290 -7.409 1.00 35.12 C ATOM 853 CD2 PHE A 61 1.507 -0.336 -6.116 1.00 61.45 C ATOM 854 CE1 PHE A 61 3.181 -0.241 -8.304 1.00 14.23 C ATOM 855 CE2 PHE A 61 1.416 0.714 -7.008 1.00 62.14 C ATOM 856 CZ PHE A 61 2.251 0.763 -8.102 1.00 45.02 C ATOM 0 H PHE A 61 -0.177 -3.426 -5.212 1.00 64.42 H new ATOM 0 HA PHE A 61 2.278 -4.155 -6.682 1.00 63.42 H new ATOM 0 HB2 PHE A 61 2.111 -2.176 -4.371 1.00 24.41 H new ATOM 0 HB3 PHE A 61 3.577 -2.730 -5.155 1.00 24.41 H new ATOM 0 HD1 PHE A 61 4.000 -2.070 -7.571 1.00 35.12 H new ATOM 0 HD2 PHE A 61 0.849 -0.368 -5.261 1.00 61.45 H new ATOM 0 HE1 PHE A 61 3.837 -0.205 -9.161 1.00 14.23 H new ATOM 0 HE2 PHE A 61 0.690 1.497 -6.848 1.00 62.14 H new ATOM 0 HZ PHE A 61 2.180 1.583 -8.801 1.00 45.02 H new ATOM 866 N LEU A 62 2.809 -5.740 -4.771 1.00 15.50 N ATOM 867 CA LEU A 62 3.020 -6.755 -3.759 1.00 51.21 C ATOM 868 C LEU A 62 4.420 -6.601 -3.185 1.00 30.15 C ATOM 869 O LEU A 62 5.373 -6.375 -3.931 1.00 43.13 O ATOM 870 CB LEU A 62 2.760 -8.167 -4.368 1.00 64.24 C ATOM 871 CG LEU A 62 2.986 -9.411 -3.477 1.00 63.15 C ATOM 872 CD1 LEU A 62 2.132 -10.558 -3.983 1.00 64.40 C ATOM 873 CD2 LEU A 62 4.448 -9.850 -3.521 1.00 74.34 C ATOM 0 H LEU A 62 3.444 -5.808 -5.567 1.00 15.50 H new ATOM 0 HA LEU A 62 2.316 -6.635 -2.935 1.00 51.21 H new ATOM 0 HB2 LEU A 62 1.727 -8.192 -4.716 1.00 64.24 H new ATOM 0 HB3 LEU A 62 3.395 -8.270 -5.248 1.00 64.24 H new ATOM 0 HG LEU A 62 2.715 -9.150 -2.454 1.00 63.15 H new ATOM 0 HD11 LEU A 62 2.291 -11.435 -3.355 1.00 64.40 H new ATOM 0 HD12 LEU A 62 1.081 -10.272 -3.947 1.00 64.40 H new ATOM 0 HD13 LEU A 62 2.410 -10.792 -5.011 1.00 64.40 H new ATOM 0 HD21 LEU A 62 4.584 -10.726 -2.887 1.00 74.34 H new ATOM 0 HD22 LEU A 62 4.723 -10.097 -4.546 1.00 74.34 H new ATOM 0 HD23 LEU A 62 5.082 -9.040 -3.161 1.00 74.34 H new ATOM 885 N LEU A 63 4.547 -6.694 -1.877 1.00 31.02 N ATOM 886 CA LEU A 63 5.842 -6.536 -1.241 1.00 33.54 C ATOM 887 C LEU A 63 6.495 -7.888 -1.063 1.00 35.42 C ATOM 888 O LEU A 63 5.994 -8.729 -0.323 1.00 14.42 O ATOM 889 CB LEU A 63 5.754 -5.829 0.139 1.00 72.34 C ATOM 890 CG LEU A 63 5.058 -4.454 0.215 1.00 64.04 C ATOM 891 CD1 LEU A 63 5.402 -3.573 -0.974 1.00 64.53 C ATOM 892 CD2 LEU A 63 3.556 -4.584 0.409 1.00 41.24 C ATOM 0 H LEU A 63 3.775 -6.877 -1.236 1.00 31.02 H new ATOM 0 HA LEU A 63 6.439 -5.903 -1.897 1.00 33.54 H new ATOM 0 HB2 LEU A 63 5.237 -6.501 0.824 1.00 72.34 H new ATOM 0 HB3 LEU A 63 6.770 -5.708 0.516 1.00 72.34 H new ATOM 0 HG LEU A 63 5.449 -3.955 1.101 1.00 64.04 H new ATOM 0 HD11 LEU A 63 4.890 -2.616 -0.878 1.00 64.53 H new ATOM 0 HD12 LEU A 63 6.479 -3.407 -1.004 1.00 64.53 H new ATOM 0 HD13 LEU A 63 5.085 -4.063 -1.894 1.00 64.53 H new ATOM 0 HD21 LEU A 63 3.108 -3.591 0.457 1.00 41.24 H new ATOM 0 HD22 LEU A 63 3.127 -5.136 -0.428 1.00 41.24 H new ATOM 0 HD23 LEU A 63 3.354 -5.118 1.337 1.00 41.24 H new ATOM 904 N ASP A 64 7.606 -8.093 -1.740 1.00 54.13 N ATOM 905 CA ASP A 64 8.356 -9.356 -1.645 1.00 60.22 C ATOM 906 C ASP A 64 9.663 -9.092 -0.888 1.00 55.12 C ATOM 907 O ASP A 64 10.569 -9.908 -0.842 1.00 11.44 O ATOM 908 CB ASP A 64 8.630 -9.911 -3.071 1.00 64.51 C ATOM 909 CG ASP A 64 9.273 -11.300 -3.101 1.00 13.11 C ATOM 910 OD1 ASP A 64 8.563 -12.308 -2.847 1.00 4.10 O ATOM 911 OD2 ASP A 64 10.479 -11.413 -3.426 1.00 74.35 O ATOM 0 H ASP A 64 8.022 -7.406 -2.368 1.00 54.13 H new ATOM 0 HA ASP A 64 7.779 -10.105 -1.102 1.00 60.22 H new ATOM 0 HB2 ASP A 64 7.689 -9.949 -3.619 1.00 64.51 H new ATOM 0 HB3 ASP A 64 9.279 -9.213 -3.600 1.00 64.51 H new ATOM 916 N GLN A 65 9.725 -7.944 -0.262 1.00 13.04 N ATOM 917 CA GLN A 65 10.905 -7.524 0.454 1.00 63.50 C ATOM 918 C GLN A 65 10.548 -7.206 1.905 1.00 52.12 C ATOM 919 O GLN A 65 9.445 -6.715 2.171 1.00 24.51 O ATOM 920 CB GLN A 65 11.547 -6.320 -0.245 1.00 71.24 C ATOM 921 CG GLN A 65 10.617 -5.136 -0.412 1.00 71.11 C ATOM 922 CD GLN A 65 11.263 -4.000 -1.141 1.00 34.21 C ATOM 923 OE1 GLN A 65 11.196 -3.916 -2.364 1.00 3.34 O ATOM 924 NE2 GLN A 65 11.896 -3.125 -0.418 1.00 1.12 N ATOM 0 H GLN A 65 8.958 -7.272 -0.234 1.00 13.04 H new ATOM 0 HA GLN A 65 11.635 -8.334 0.457 1.00 63.50 H new ATOM 0 HB2 GLN A 65 12.421 -6.005 0.326 1.00 71.24 H new ATOM 0 HB3 GLN A 65 11.903 -6.631 -1.227 1.00 71.24 H new ATOM 0 HG2 GLN A 65 9.726 -5.452 -0.954 1.00 71.11 H new ATOM 0 HG3 GLN A 65 10.289 -4.794 0.570 1.00 71.11 H new ATOM 0 HE21 GLN A 65 11.929 -3.229 0.596 1.00 1.12 H new ATOM 0 HE22 GLN A 65 12.360 -2.334 -0.865 1.00 1.12 H new ATOM 933 N PRO A 66 11.466 -7.510 2.858 1.00 55.34 N ATOM 934 CA PRO A 66 11.240 -7.304 4.298 1.00 73.43 C ATOM 935 C PRO A 66 10.858 -5.873 4.664 1.00 44.54 C ATOM 936 O PRO A 66 9.814 -5.639 5.289 1.00 53.42 O ATOM 937 CB PRO A 66 12.572 -7.699 4.958 1.00 23.43 C ATOM 938 CG PRO A 66 13.560 -7.787 3.845 1.00 13.34 C ATOM 939 CD PRO A 66 12.784 -8.107 2.603 1.00 31.14 C ATOM 0 HA PRO A 66 10.393 -7.900 4.638 1.00 73.43 H new ATOM 0 HB2 PRO A 66 12.878 -6.958 5.697 1.00 23.43 H new ATOM 0 HB3 PRO A 66 12.484 -8.652 5.480 1.00 23.43 H new ATOM 0 HG2 PRO A 66 14.100 -6.847 3.732 1.00 13.34 H new ATOM 0 HG3 PRO A 66 14.302 -8.559 4.047 1.00 13.34 H new ATOM 0 HD2 PRO A 66 13.253 -7.681 1.716 1.00 31.14 H new ATOM 0 HD3 PRO A 66 12.713 -9.182 2.440 1.00 31.14 H new ATOM 947 N THR A 67 11.678 -4.934 4.270 1.00 53.31 N ATOM 948 CA THR A 67 11.448 -3.560 4.572 1.00 33.42 C ATOM 949 C THR A 67 11.157 -2.795 3.284 1.00 61.33 C ATOM 950 O THR A 67 12.031 -2.635 2.429 1.00 12.00 O ATOM 951 CB THR A 67 12.687 -2.945 5.276 1.00 64.10 C ATOM 952 OG1 THR A 67 13.024 -3.735 6.433 1.00 32.25 O ATOM 953 CG2 THR A 67 12.408 -1.513 5.719 1.00 0.30 C ATOM 0 H THR A 67 12.525 -5.109 3.729 1.00 53.31 H new ATOM 0 HA THR A 67 10.592 -3.486 5.243 1.00 33.42 H new ATOM 0 HB THR A 67 13.515 -2.939 4.567 1.00 64.10 H new ATOM 0 HG1 THR A 67 13.807 -3.348 6.877 1.00 32.25 H new ATOM 0 HG21 THR A 67 13.292 -1.105 6.209 1.00 0.30 H new ATOM 0 HG22 THR A 67 12.162 -0.904 4.849 1.00 0.30 H new ATOM 0 HG23 THR A 67 11.570 -1.504 6.416 1.00 0.30 H new ATOM 961 N THR A 68 9.936 -2.399 3.111 1.00 53.32 N ATOM 962 CA THR A 68 9.583 -1.599 1.977 1.00 34.53 C ATOM 963 C THR A 68 9.420 -0.145 2.425 1.00 50.31 C ATOM 964 O THR A 68 8.517 0.172 3.208 1.00 60.50 O ATOM 965 CB THR A 68 8.275 -2.092 1.365 1.00 5.32 C ATOM 966 OG1 THR A 68 8.362 -3.509 1.139 1.00 25.35 O ATOM 967 CG2 THR A 68 8.007 -1.385 0.056 1.00 43.04 C ATOM 0 H THR A 68 9.164 -2.616 3.741 1.00 53.32 H new ATOM 0 HA THR A 68 10.370 -1.674 1.227 1.00 34.53 H new ATOM 0 HB THR A 68 7.457 -1.877 2.052 1.00 5.32 H new ATOM 0 HG1 THR A 68 7.662 -3.965 1.651 1.00 25.35 H new ATOM 0 HG21 THR A 68 7.071 -1.747 -0.368 1.00 43.04 H new ATOM 0 HG22 THR A 68 7.935 -0.311 0.230 1.00 43.04 H new ATOM 0 HG23 THR A 68 8.822 -1.586 -0.639 1.00 43.04 H new ATOM 975 N THR A 69 10.280 0.717 1.954 1.00 74.04 N ATOM 976 CA THR A 69 10.217 2.098 2.321 1.00 2.43 C ATOM 977 C THR A 69 9.510 2.938 1.255 1.00 74.42 C ATOM 978 O THR A 69 9.956 3.038 0.095 1.00 43.13 O ATOM 979 CB THR A 69 11.625 2.685 2.676 1.00 60.45 C ATOM 980 OG1 THR A 69 12.598 2.410 1.645 1.00 20.12 O ATOM 981 CG2 THR A 69 12.128 2.129 3.999 1.00 33.04 C ATOM 0 H THR A 69 11.036 0.481 1.311 1.00 74.04 H new ATOM 0 HA THR A 69 9.616 2.150 3.229 1.00 2.43 H new ATOM 0 HB THR A 69 11.502 3.765 2.758 1.00 60.45 H new ATOM 0 HG1 THR A 69 12.174 1.901 0.923 1.00 20.12 H new ATOM 0 HG21 THR A 69 13.107 2.552 4.223 1.00 33.04 H new ATOM 0 HG22 THR A 69 11.429 2.392 4.793 1.00 33.04 H new ATOM 0 HG23 THR A 69 12.209 1.044 3.931 1.00 33.04 H new ATOM 989 N ALA A 70 8.384 3.485 1.636 1.00 4.10 N ATOM 990 CA ALA A 70 7.637 4.373 0.802 1.00 30.10 C ATOM 991 C ALA A 70 7.959 5.771 1.253 1.00 70.40 C ATOM 992 O ALA A 70 7.987 6.046 2.458 1.00 10.43 O ATOM 993 CB ALA A 70 6.142 4.101 0.922 1.00 11.21 C ATOM 0 H ALA A 70 7.960 3.320 2.549 1.00 4.10 H new ATOM 0 HA ALA A 70 7.903 4.232 -0.246 1.00 30.10 H new ATOM 0 HB1 ALA A 70 5.594 4.789 0.278 1.00 11.21 H new ATOM 0 HB2 ALA A 70 5.933 3.075 0.618 1.00 11.21 H new ATOM 0 HB3 ALA A 70 5.828 4.244 1.956 1.00 11.21 H new ATOM 999 N GLY A 71 8.210 6.641 0.320 1.00 41.11 N ATOM 1000 CA GLY A 71 8.629 7.976 0.680 1.00 3.43 C ATOM 1001 C GLY A 71 10.114 8.002 0.963 1.00 43.13 C ATOM 1002 O GLY A 71 10.557 8.059 2.120 1.00 71.21 O ATOM 0 H GLY A 71 8.136 6.462 -0.681 1.00 41.11 H new ATOM 0 HA2 GLY A 71 8.394 8.669 -0.128 1.00 3.43 H new ATOM 0 HA3 GLY A 71 8.079 8.313 1.559 1.00 3.43 H new ATOM 1006 N ARG A 72 10.859 7.914 -0.093 1.00 62.35 N ATOM 1007 CA ARG A 72 12.290 7.886 -0.075 1.00 43.30 C ATOM 1008 C ARG A 72 12.713 8.322 -1.461 1.00 14.13 C ATOM 1009 O ARG A 72 12.508 7.596 -2.425 1.00 42.42 O ATOM 1010 CB ARG A 72 12.746 6.458 0.265 1.00 41.44 C ATOM 1011 CG ARG A 72 14.236 6.187 0.243 1.00 11.13 C ATOM 1012 CD ARG A 72 14.478 4.765 0.717 1.00 70.30 C ATOM 1013 NE ARG A 72 15.812 4.259 0.407 1.00 72.02 N ATOM 1014 CZ ARG A 72 16.115 2.948 0.346 1.00 61.43 C ATOM 1015 NH1 ARG A 72 15.207 2.039 0.693 1.00 11.32 N ATOM 1016 NH2 ARG A 72 17.311 2.549 -0.071 1.00 14.33 N ATOM 0 H ARG A 72 10.470 7.857 -1.034 1.00 62.35 H new ATOM 0 HA ARG A 72 12.737 8.542 0.672 1.00 43.30 H new ATOM 0 HB2 ARG A 72 12.372 6.211 1.258 1.00 41.44 H new ATOM 0 HB3 ARG A 72 12.267 5.774 -0.436 1.00 41.44 H new ATOM 0 HG2 ARG A 72 14.630 6.322 -0.764 1.00 11.13 H new ATOM 0 HG3 ARG A 72 14.758 6.894 0.887 1.00 11.13 H new ATOM 0 HD2 ARG A 72 14.324 4.720 1.795 1.00 70.30 H new ATOM 0 HD3 ARG A 72 13.736 4.109 0.262 1.00 70.30 H new ATOM 0 HE ARG A 72 16.555 4.935 0.227 1.00 72.02 H new ATOM 0 HH11 ARG A 72 14.282 2.335 1.005 1.00 11.32 H new ATOM 0 HH12 ARG A 72 15.436 1.046 0.647 1.00 11.32 H new ATOM 0 HH21 ARG A 72 18.010 3.238 -0.349 1.00 14.33 H new ATOM 0 HH22 ARG A 72 17.530 1.554 -0.113 1.00 14.33 H new ATOM 1030 N HIS A 73 13.216 9.539 -1.548 1.00 21.51 N ATOM 1031 CA HIS A 73 13.483 10.215 -2.825 1.00 22.12 C ATOM 1032 C HIS A 73 14.332 9.422 -3.851 1.00 53.42 C ATOM 1033 O HIS A 73 13.791 9.013 -4.882 1.00 50.12 O ATOM 1034 CB HIS A 73 13.987 11.668 -2.628 1.00 61.03 C ATOM 1035 CG HIS A 73 12.956 12.617 -2.072 1.00 44.40 C ATOM 1036 ND1 HIS A 73 12.556 13.766 -2.711 1.00 22.44 N ATOM 1037 CD2 HIS A 73 12.268 12.587 -0.902 1.00 42.20 C ATOM 1038 CE1 HIS A 73 11.663 14.386 -1.942 1.00 43.01 C ATOM 1039 NE2 HIS A 73 11.449 13.710 -0.825 1.00 0.24 N ATOM 0 H HIS A 73 13.457 10.101 -0.731 1.00 21.51 H new ATOM 0 HA HIS A 73 12.503 10.264 -3.299 1.00 22.12 H new ATOM 0 HB2 HIS A 73 14.847 11.653 -1.959 1.00 61.03 H new ATOM 0 HB3 HIS A 73 14.336 12.051 -3.587 1.00 61.03 H new ATOM 0 HD2 HIS A 73 12.344 11.815 -0.151 1.00 42.20 H new ATOM 0 HE1 HIS A 73 11.178 15.317 -2.196 1.00 43.01 H new ATOM 0 HE2 HIS A 73 10.816 13.960 -0.065 1.00 0.24 H new ATOM 1047 N PRO A 74 15.646 9.170 -3.614 1.00 73.20 N ATOM 1048 CA PRO A 74 16.486 8.492 -4.613 1.00 34.53 C ATOM 1049 C PRO A 74 16.101 7.021 -4.865 1.00 4.23 C ATOM 1050 O PRO A 74 16.069 6.572 -6.003 1.00 44.05 O ATOM 1051 CB PRO A 74 17.897 8.597 -4.044 1.00 14.53 C ATOM 1052 CG PRO A 74 17.710 8.761 -2.582 1.00 2.40 C ATOM 1053 CD PRO A 74 16.416 9.498 -2.391 1.00 32.41 C ATOM 0 HA PRO A 74 16.371 8.959 -5.591 1.00 34.53 H new ATOM 0 HB2 PRO A 74 18.481 7.705 -4.270 1.00 14.53 H new ATOM 0 HB3 PRO A 74 18.433 9.445 -4.471 1.00 14.53 H new ATOM 0 HG2 PRO A 74 17.680 7.791 -2.085 1.00 2.40 H new ATOM 0 HG3 PRO A 74 18.540 9.317 -2.146 1.00 2.40 H new ATOM 0 HD2 PRO A 74 15.897 9.170 -1.490 1.00 32.41 H new ATOM 0 HD3 PRO A 74 16.576 10.572 -2.294 1.00 32.41 H new ATOM 1061 N GLU A 75 15.764 6.299 -3.812 1.00 15.20 N ATOM 1062 CA GLU A 75 15.477 4.884 -3.926 1.00 53.15 C ATOM 1063 C GLU A 75 14.120 4.571 -3.345 1.00 32.45 C ATOM 1064 O GLU A 75 14.019 4.102 -2.227 1.00 31.32 O ATOM 1065 CB GLU A 75 16.511 4.038 -3.181 1.00 71.11 C ATOM 1066 CG GLU A 75 17.947 4.187 -3.614 1.00 72.35 C ATOM 1067 CD GLU A 75 18.843 3.342 -2.751 1.00 24.12 C ATOM 1068 OE1 GLU A 75 19.256 3.813 -1.662 1.00 32.22 O ATOM 1069 OE2 GLU A 75 19.111 2.176 -3.106 1.00 52.05 O ATOM 0 H GLU A 75 15.683 6.672 -2.866 1.00 15.20 H new ATOM 0 HA GLU A 75 15.505 4.642 -4.988 1.00 53.15 H new ATOM 0 HB2 GLU A 75 16.449 4.281 -2.120 1.00 71.11 H new ATOM 0 HB3 GLU A 75 16.231 2.990 -3.285 1.00 71.11 H new ATOM 0 HG2 GLU A 75 18.052 3.891 -4.658 1.00 72.35 H new ATOM 0 HG3 GLU A 75 18.247 5.233 -3.547 1.00 72.35 H new ATOM 1076 N SER A 76 13.091 4.893 -4.034 1.00 63.22 N ATOM 1077 CA SER A 76 11.794 4.542 -3.551 1.00 71.43 C ATOM 1078 C SER A 76 11.539 3.070 -3.835 1.00 4.23 C ATOM 1079 O SER A 76 11.685 2.628 -4.994 1.00 73.24 O ATOM 1080 CB SER A 76 10.732 5.444 -4.196 1.00 12.24 C ATOM 1081 OG SER A 76 10.885 5.493 -5.612 1.00 42.22 O ATOM 0 H SER A 76 13.110 5.392 -4.923 1.00 63.22 H new ATOM 0 HA SER A 76 11.738 4.696 -2.473 1.00 71.43 H new ATOM 0 HB2 SER A 76 9.738 5.073 -3.948 1.00 12.24 H new ATOM 0 HB3 SER A 76 10.808 6.451 -3.785 1.00 12.24 H new ATOM 0 HG SER A 76 11.160 4.612 -5.942 1.00 42.22 H new ATOM 1087 N ASP A 77 11.243 2.286 -2.801 1.00 34.31 N ATOM 1088 CA ASP A 77 10.895 0.881 -3.022 1.00 4.51 C ATOM 1089 C ASP A 77 9.597 0.854 -3.743 1.00 52.34 C ATOM 1090 O ASP A 77 9.483 0.312 -4.834 1.00 34.45 O ATOM 1091 CB ASP A 77 10.768 0.076 -1.729 1.00 41.12 C ATOM 1092 CG ASP A 77 12.059 -0.112 -0.992 1.00 1.52 C ATOM 1093 OD1 ASP A 77 12.955 -0.817 -1.488 1.00 73.22 O ATOM 1094 OD2 ASP A 77 12.192 0.403 0.119 1.00 15.44 O ATOM 0 H ASP A 77 11.236 2.587 -1.826 1.00 34.31 H new ATOM 0 HA ASP A 77 11.699 0.418 -3.594 1.00 4.51 H new ATOM 0 HB2 ASP A 77 10.057 0.576 -1.071 1.00 41.12 H new ATOM 0 HB3 ASP A 77 10.351 -0.903 -1.964 1.00 41.12 H new ATOM 1099 N ILE A 78 8.627 1.494 -3.156 1.00 34.15 N ATOM 1100 CA ILE A 78 7.362 1.664 -3.783 1.00 22.42 C ATOM 1101 C ILE A 78 7.035 3.126 -3.801 1.00 52.34 C ATOM 1102 O ILE A 78 7.456 3.891 -2.912 1.00 62.12 O ATOM 1103 CB ILE A 78 6.198 0.891 -3.102 1.00 13.14 C ATOM 1104 CG1 ILE A 78 6.039 1.313 -1.633 1.00 32.11 C ATOM 1105 CG2 ILE A 78 6.391 -0.616 -3.239 1.00 3.22 C ATOM 1106 CD1 ILE A 78 4.805 0.764 -0.965 1.00 54.30 C ATOM 0 H ILE A 78 8.698 1.911 -2.228 1.00 34.15 H new ATOM 0 HA ILE A 78 7.452 1.248 -4.787 1.00 22.42 H new ATOM 0 HB ILE A 78 5.272 1.150 -3.615 1.00 13.14 H new ATOM 0 HG12 ILE A 78 6.917 0.986 -1.075 1.00 32.11 H new ATOM 0 HG13 ILE A 78 6.014 2.401 -1.580 1.00 32.11 H new ATOM 0 HG21 ILE A 78 5.564 -1.134 -2.754 1.00 3.22 H new ATOM 0 HG22 ILE A 78 6.419 -0.885 -4.295 1.00 3.22 H new ATOM 0 HG23 ILE A 78 7.329 -0.907 -2.766 1.00 3.22 H new ATOM 0 HD11 ILE A 78 4.767 1.108 0.069 1.00 54.30 H new ATOM 0 HD12 ILE A 78 3.919 1.112 -1.496 1.00 54.30 H new ATOM 0 HD13 ILE A 78 4.835 -0.325 -0.984 1.00 54.30 H new ATOM 1118 N PHE A 79 6.346 3.519 -4.801 1.00 3.01 N ATOM 1119 CA PHE A 79 5.903 4.856 -4.939 1.00 62.30 C ATOM 1120 C PHE A 79 4.471 4.952 -4.453 1.00 75.20 C ATOM 1121 O PHE A 79 3.659 4.064 -4.726 1.00 61.32 O ATOM 1122 CB PHE A 79 6.129 5.400 -6.381 1.00 50.04 C ATOM 1123 CG PHE A 79 5.560 4.568 -7.519 1.00 22.12 C ATOM 1124 CD1 PHE A 79 6.105 3.333 -7.847 1.00 61.45 C ATOM 1125 CD2 PHE A 79 4.503 5.033 -8.268 1.00 10.12 C ATOM 1126 CE1 PHE A 79 5.599 2.587 -8.886 1.00 31.44 C ATOM 1127 CE2 PHE A 79 3.996 4.291 -9.312 1.00 12.11 C ATOM 1128 CZ PHE A 79 4.543 3.070 -9.621 1.00 33.24 C ATOM 0 H PHE A 79 6.066 2.907 -5.567 1.00 3.01 H new ATOM 0 HA PHE A 79 6.505 5.514 -4.312 1.00 62.30 H new ATOM 0 HB2 PHE A 79 5.697 6.399 -6.440 1.00 50.04 H new ATOM 0 HB3 PHE A 79 7.202 5.507 -6.541 1.00 50.04 H new ATOM 0 HD1 PHE A 79 6.940 2.952 -7.277 1.00 61.45 H new ATOM 0 HD2 PHE A 79 4.065 5.992 -8.034 1.00 10.12 H new ATOM 0 HE1 PHE A 79 6.030 1.626 -9.123 1.00 31.44 H new ATOM 0 HE2 PHE A 79 3.166 4.671 -9.889 1.00 12.11 H new ATOM 0 HZ PHE A 79 4.144 2.490 -10.440 1.00 33.24 H new ATOM 1138 N LEU A 80 4.187 5.992 -3.693 1.00 11.34 N ATOM 1139 CA LEU A 80 2.893 6.194 -3.053 1.00 32.31 C ATOM 1140 C LEU A 80 2.578 7.670 -3.048 1.00 44.04 C ATOM 1141 O LEU A 80 1.980 8.204 -3.985 1.00 62.53 O ATOM 1142 CB LEU A 80 2.866 5.574 -1.628 1.00 22.14 C ATOM 1143 CG LEU A 80 1.545 5.689 -0.852 1.00 0.13 C ATOM 1144 CD1 LEU A 80 0.418 4.983 -1.594 1.00 30.32 C ATOM 1145 CD2 LEU A 80 1.702 5.121 0.549 1.00 2.21 C ATOM 0 H LEU A 80 4.858 6.735 -3.497 1.00 11.34 H new ATOM 0 HA LEU A 80 2.117 5.677 -3.617 1.00 32.31 H new ATOM 0 HB2 LEU A 80 3.121 4.518 -1.711 1.00 22.14 H new ATOM 0 HB3 LEU A 80 3.651 6.046 -1.036 1.00 22.14 H new ATOM 0 HG LEU A 80 1.287 6.745 -0.770 1.00 0.13 H new ATOM 0 HD11 LEU A 80 -0.507 5.078 -1.026 1.00 30.32 H new ATOM 0 HD12 LEU A 80 0.289 5.437 -2.576 1.00 30.32 H new ATOM 0 HD13 LEU A 80 0.665 3.928 -1.712 1.00 30.32 H new ATOM 0 HD21 LEU A 80 0.757 5.210 1.086 1.00 2.21 H new ATOM 0 HD22 LEU A 80 1.986 4.071 0.486 1.00 2.21 H new ATOM 0 HD23 LEU A 80 2.475 5.675 1.081 1.00 2.21 H new ATOM 1157 N ASP A 81 3.005 8.311 -2.049 1.00 74.04 N ATOM 1158 CA ASP A 81 2.950 9.735 -1.973 1.00 51.54 C ATOM 1159 C ASP A 81 4.044 10.299 -2.841 1.00 71.42 C ATOM 1160 O ASP A 81 5.205 10.299 -2.471 1.00 30.35 O ATOM 1161 CB ASP A 81 3.086 10.228 -0.537 1.00 0.14 C ATOM 1162 CG ASP A 81 1.850 9.986 0.294 1.00 41.01 C ATOM 1163 OD1 ASP A 81 0.923 10.823 0.243 1.00 50.24 O ATOM 1164 OD2 ASP A 81 1.799 8.977 1.007 1.00 24.51 O ATOM 0 H ASP A 81 3.417 7.867 -1.229 1.00 74.04 H new ATOM 0 HA ASP A 81 1.978 10.076 -2.329 1.00 51.54 H new ATOM 0 HB2 ASP A 81 3.935 9.730 -0.068 1.00 0.14 H new ATOM 0 HB3 ASP A 81 3.307 11.295 -0.545 1.00 0.14 H new ATOM 1169 N ASP A 82 3.672 10.662 -4.046 1.00 12.02 N ATOM 1170 CA ASP A 82 4.609 11.212 -5.029 1.00 54.34 C ATOM 1171 C ASP A 82 4.841 12.675 -4.764 1.00 30.55 C ATOM 1172 O ASP A 82 5.960 13.124 -4.595 1.00 43.35 O ATOM 1173 CB ASP A 82 4.046 11.033 -6.440 1.00 42.42 C ATOM 1174 CG ASP A 82 4.975 11.526 -7.531 1.00 41.22 C ATOM 1175 OD1 ASP A 82 4.951 12.728 -7.853 1.00 14.41 O ATOM 1176 OD2 ASP A 82 5.699 10.707 -8.120 1.00 22.21 O ATOM 0 H ASP A 82 2.712 10.589 -4.384 1.00 12.02 H new ATOM 0 HA ASP A 82 5.556 10.679 -4.945 1.00 54.34 H new ATOM 0 HB2 ASP A 82 3.833 9.977 -6.606 1.00 42.42 H new ATOM 0 HB3 ASP A 82 3.098 11.565 -6.514 1.00 42.42 H new ATOM 1181 N VAL A 83 3.764 13.400 -4.720 1.00 64.43 N ATOM 1182 CA VAL A 83 3.799 14.829 -4.497 1.00 14.22 C ATOM 1183 C VAL A 83 3.844 15.099 -3.000 1.00 74.22 C ATOM 1184 O VAL A 83 4.589 15.943 -2.517 1.00 13.45 O ATOM 1185 CB VAL A 83 2.542 15.506 -5.109 1.00 14.11 C ATOM 1186 CG1 VAL A 83 2.590 17.012 -4.941 1.00 33.24 C ATOM 1187 CG2 VAL A 83 2.394 15.142 -6.577 1.00 73.45 C ATOM 0 H VAL A 83 2.824 13.021 -4.838 1.00 64.43 H new ATOM 0 HA VAL A 83 4.686 15.242 -4.978 1.00 14.22 H new ATOM 0 HB VAL A 83 1.671 15.134 -4.569 1.00 14.11 H new ATOM 0 HG11 VAL A 83 1.696 17.456 -5.380 1.00 33.24 H new ATOM 0 HG12 VAL A 83 2.634 17.259 -3.880 1.00 33.24 H new ATOM 0 HG13 VAL A 83 3.474 17.406 -5.442 1.00 33.24 H new ATOM 0 HG21 VAL A 83 1.507 15.627 -6.985 1.00 73.45 H new ATOM 0 HG22 VAL A 83 3.275 15.476 -7.125 1.00 73.45 H new ATOM 0 HG23 VAL A 83 2.294 14.061 -6.676 1.00 73.45 H new ATOM 1197 N THR A 84 3.093 14.325 -2.279 1.00 22.44 N ATOM 1198 CA THR A 84 2.957 14.426 -0.855 1.00 12.35 C ATOM 1199 C THR A 84 4.043 13.606 -0.126 1.00 23.11 C ATOM 1200 O THR A 84 3.866 13.183 1.016 1.00 32.34 O ATOM 1201 CB THR A 84 1.560 13.916 -0.531 1.00 32.53 C ATOM 1202 OG1 THR A 84 1.266 12.813 -1.419 1.00 60.44 O ATOM 1203 CG2 THR A 84 0.532 15.024 -0.737 1.00 45.32 C ATOM 0 H THR A 84 2.534 13.573 -2.682 1.00 22.44 H new ATOM 0 HA THR A 84 3.088 15.454 -0.517 1.00 12.35 H new ATOM 0 HB THR A 84 1.516 13.593 0.509 1.00 32.53 H new ATOM 0 HG1 THR A 84 0.815 12.101 -0.918 1.00 60.44 H new ATOM 0 HG21 THR A 84 -0.463 14.646 -0.502 1.00 45.32 H new ATOM 0 HG22 THR A 84 0.765 15.863 -0.082 1.00 45.32 H new ATOM 0 HG23 THR A 84 0.558 15.356 -1.775 1.00 45.32 H new ATOM 1211 N VAL A 85 5.209 13.539 -0.747 1.00 52.54 N ATOM 1212 CA VAL A 85 6.303 12.682 -0.316 1.00 2.34 C ATOM 1213 C VAL A 85 7.109 13.306 0.830 1.00 35.12 C ATOM 1214 O VAL A 85 7.331 14.528 0.872 1.00 62.13 O ATOM 1215 CB VAL A 85 7.256 12.361 -1.523 1.00 13.23 C ATOM 1216 CG1 VAL A 85 7.938 13.610 -2.071 1.00 70.43 C ATOM 1217 CG2 VAL A 85 8.281 11.291 -1.171 1.00 21.42 C ATOM 0 H VAL A 85 5.426 14.088 -1.579 1.00 52.54 H new ATOM 0 HA VAL A 85 5.859 11.758 0.054 1.00 2.34 H new ATOM 0 HB VAL A 85 6.621 11.964 -2.315 1.00 13.23 H new ATOM 0 HG11 VAL A 85 8.586 13.335 -2.903 1.00 70.43 H new ATOM 0 HG12 VAL A 85 7.182 14.315 -2.417 1.00 70.43 H new ATOM 0 HG13 VAL A 85 8.534 14.074 -1.285 1.00 70.43 H new ATOM 0 HG21 VAL A 85 8.919 11.100 -2.034 1.00 21.42 H new ATOM 0 HG22 VAL A 85 8.893 11.634 -0.336 1.00 21.42 H new ATOM 0 HG23 VAL A 85 7.766 10.372 -0.890 1.00 21.42 H new ATOM 1227 N SER A 86 7.480 12.466 1.768 1.00 74.23 N ATOM 1228 CA SER A 86 8.305 12.832 2.869 1.00 32.12 C ATOM 1229 C SER A 86 9.464 11.830 2.934 1.00 53.44 C ATOM 1230 O SER A 86 9.566 10.934 2.089 1.00 11.00 O ATOM 1231 CB SER A 86 7.485 12.815 4.166 1.00 63.02 C ATOM 1232 OG SER A 86 8.219 13.339 5.279 1.00 53.13 O ATOM 0 H SER A 86 7.202 11.485 1.776 1.00 74.23 H new ATOM 0 HA SER A 86 8.697 13.841 2.744 1.00 32.12 H new ATOM 0 HB2 SER A 86 6.575 13.399 4.026 1.00 63.02 H new ATOM 0 HB3 SER A 86 7.177 11.793 4.385 1.00 63.02 H new ATOM 0 HG SER A 86 7.811 13.030 6.115 1.00 53.13 H new ATOM 1238 N ARG A 87 10.293 11.971 3.925 1.00 33.24 N ATOM 1239 CA ARG A 87 11.458 11.143 4.110 1.00 24.30 C ATOM 1240 C ARG A 87 11.161 10.090 5.163 1.00 22.24 C ATOM 1241 O ARG A 87 10.782 10.427 6.291 1.00 61.01 O ATOM 1242 CB ARG A 87 12.659 12.026 4.491 1.00 31.54 C ATOM 1243 CG ARG A 87 12.408 12.936 5.689 1.00 22.43 C ATOM 1244 CD ARG A 87 13.523 13.941 5.903 1.00 32.35 C ATOM 1245 NE ARG A 87 14.819 13.328 6.207 1.00 31.51 N ATOM 1246 CZ ARG A 87 15.833 13.969 6.807 1.00 4.35 C ATOM 1247 NH1 ARG A 87 15.696 15.246 7.185 1.00 73.34 N ATOM 1248 NH2 ARG A 87 16.970 13.338 7.029 1.00 64.41 N ATOM 0 H ARG A 87 10.179 12.682 4.648 1.00 33.24 H new ATOM 0 HA ARG A 87 11.712 10.625 3.185 1.00 24.30 H new ATOM 0 HB2 ARG A 87 13.513 11.385 4.708 1.00 31.54 H new ATOM 0 HB3 ARG A 87 12.931 12.640 3.633 1.00 31.54 H new ATOM 0 HG2 ARG A 87 11.467 13.468 5.546 1.00 22.43 H new ATOM 0 HG3 ARG A 87 12.296 12.327 6.586 1.00 22.43 H new ATOM 0 HD2 ARG A 87 13.623 14.556 5.008 1.00 32.35 H new ATOM 0 HD3 ARG A 87 13.247 14.609 6.719 1.00 32.35 H new ATOM 0 HE ARG A 87 14.959 12.352 5.946 1.00 31.51 H new ATOM 0 HH11 ARG A 87 14.817 15.736 7.017 1.00 73.34 H new ATOM 0 HH12 ARG A 87 16.470 15.729 7.641 1.00 73.34 H new ATOM 0 HH21 ARG A 87 17.077 12.364 6.744 1.00 64.41 H new ATOM 0 HH22 ARG A 87 17.742 13.824 7.485 1.00 64.41 H new ATOM 1262 N ARG A 88 11.270 8.808 4.763 1.00 55.42 N ATOM 1263 CA ARG A 88 10.943 7.657 5.632 1.00 62.41 C ATOM 1264 C ARG A 88 9.459 7.701 5.948 1.00 22.35 C ATOM 1265 O ARG A 88 9.028 7.259 7.002 1.00 25.21 O ATOM 1266 CB ARG A 88 11.773 7.659 6.943 1.00 62.14 C ATOM 1267 CG ARG A 88 13.271 7.468 6.761 1.00 33.22 C ATOM 1268 CD ARG A 88 13.612 6.088 6.207 1.00 5.10 C ATOM 1269 NE ARG A 88 13.154 4.989 7.085 1.00 4.21 N ATOM 1270 CZ ARG A 88 13.924 3.964 7.504 1.00 52.13 C ATOM 1271 NH1 ARG A 88 15.234 3.956 7.245 1.00 53.40 N ATOM 1272 NH2 ARG A 88 13.389 2.974 8.204 1.00 61.20 N ATOM 0 H ARG A 88 11.586 8.540 3.831 1.00 55.42 H new ATOM 0 HA ARG A 88 11.195 6.738 5.103 1.00 62.41 H new ATOM 0 HB2 ARG A 88 11.603 8.603 7.460 1.00 62.14 H new ATOM 0 HB3 ARG A 88 11.398 6.868 7.593 1.00 62.14 H new ATOM 0 HG2 ARG A 88 13.654 8.234 6.086 1.00 33.22 H new ATOM 0 HG3 ARG A 88 13.773 7.607 7.719 1.00 33.22 H new ATOM 0 HD2 ARG A 88 13.158 5.974 5.223 1.00 5.10 H new ATOM 0 HD3 ARG A 88 14.691 6.013 6.071 1.00 5.10 H new ATOM 0 HE ARG A 88 12.183 5.008 7.397 1.00 4.21 H new ATOM 0 HH11 ARG A 88 15.656 4.727 6.728 1.00 53.40 H new ATOM 0 HH12 ARG A 88 15.812 3.179 7.564 1.00 53.40 H new ATOM 0 HH21 ARG A 88 12.394 2.987 8.427 1.00 61.20 H new ATOM 0 HH22 ARG A 88 13.973 2.199 8.520 1.00 61.20 H new ATOM 1286 N HIS A 89 8.701 8.194 4.972 1.00 23.11 N ATOM 1287 CA HIS A 89 7.266 8.428 5.072 1.00 4.30 C ATOM 1288 C HIS A 89 6.521 7.237 5.680 1.00 74.33 C ATOM 1289 O HIS A 89 6.027 7.328 6.815 1.00 40.11 O ATOM 1290 CB HIS A 89 6.719 8.792 3.687 1.00 11.42 C ATOM 1291 CG HIS A 89 5.268 9.151 3.630 1.00 51.01 C ATOM 1292 ND1 HIS A 89 4.830 10.423 3.892 1.00 41.31 N ATOM 1293 CD2 HIS A 89 4.219 8.384 3.276 1.00 75.22 C ATOM 1294 CE1 HIS A 89 3.526 10.392 3.677 1.00 2.31 C ATOM 1295 NE2 HIS A 89 3.116 9.184 3.303 1.00 14.02 N ATOM 0 H HIS A 89 9.082 8.449 4.061 1.00 23.11 H new ATOM 0 HA HIS A 89 7.098 9.261 5.755 1.00 4.30 H new ATOM 0 HB2 HIS A 89 7.296 9.631 3.299 1.00 11.42 H new ATOM 0 HB3 HIS A 89 6.891 7.950 3.017 1.00 11.42 H new ATOM 0 HD2 HIS A 89 4.247 7.335 3.020 1.00 75.22 H new ATOM 0 HE1 HIS A 89 2.873 11.245 3.791 1.00 2.31 H new ATOM 0 HE2 HIS A 89 2.160 8.909 3.079 1.00 14.02 H new ATOM 1303 N ALA A 90 6.497 6.124 4.981 1.00 4.23 N ATOM 1304 CA ALA A 90 5.784 4.958 5.455 1.00 20.32 C ATOM 1305 C ALA A 90 6.557 3.695 5.148 1.00 54.43 C ATOM 1306 O ALA A 90 7.180 3.586 4.096 1.00 2.04 O ATOM 1307 CB ALA A 90 4.390 4.894 4.844 1.00 31.53 C ATOM 0 H ALA A 90 6.963 6.001 4.082 1.00 4.23 H new ATOM 0 HA ALA A 90 5.681 5.041 6.537 1.00 20.32 H new ATOM 0 HB1 ALA A 90 3.871 4.010 5.214 1.00 31.53 H new ATOM 0 HB2 ALA A 90 3.830 5.787 5.122 1.00 31.53 H new ATOM 0 HB3 ALA A 90 4.471 4.840 3.758 1.00 31.53 H new ATOM 1313 N GLU A 91 6.542 2.763 6.056 1.00 12.34 N ATOM 1314 CA GLU A 91 7.196 1.505 5.848 1.00 32.44 C ATOM 1315 C GLU A 91 6.201 0.383 5.838 1.00 22.15 C ATOM 1316 O GLU A 91 5.405 0.222 6.769 1.00 23.04 O ATOM 1317 CB GLU A 91 8.232 1.221 6.922 1.00 53.12 C ATOM 1318 CG GLU A 91 9.424 2.137 6.915 1.00 63.22 C ATOM 1319 CD GLU A 91 10.442 1.703 7.920 1.00 34.34 C ATOM 1320 OE1 GLU A 91 10.884 0.546 7.870 1.00 33.55 O ATOM 1321 OE2 GLU A 91 10.810 2.491 8.803 1.00 43.22 O ATOM 0 H GLU A 91 6.077 2.854 6.959 1.00 12.34 H new ATOM 0 HA GLU A 91 7.696 1.570 4.882 1.00 32.44 H new ATOM 0 HB2 GLU A 91 7.749 1.286 7.897 1.00 53.12 H new ATOM 0 HB3 GLU A 91 8.581 0.195 6.806 1.00 53.12 H new ATOM 0 HG2 GLU A 91 9.872 2.149 5.921 1.00 63.22 H new ATOM 0 HG3 GLU A 91 9.105 3.156 7.133 1.00 63.22 H new ATOM 1328 N PHE A 92 6.265 -0.396 4.814 1.00 44.22 N ATOM 1329 CA PHE A 92 5.471 -1.583 4.703 1.00 44.42 C ATOM 1330 C PHE A 92 6.415 -2.727 4.958 1.00 63.11 C ATOM 1331 O PHE A 92 7.358 -2.946 4.190 1.00 72.41 O ATOM 1332 CB PHE A 92 4.834 -1.702 3.299 1.00 11.33 C ATOM 1333 CG PHE A 92 3.821 -0.629 2.960 1.00 62.32 C ATOM 1334 CD1 PHE A 92 4.223 0.668 2.656 1.00 72.15 C ATOM 1335 CD2 PHE A 92 2.466 -0.922 2.943 1.00 41.00 C ATOM 1336 CE1 PHE A 92 3.293 1.644 2.348 1.00 11.42 C ATOM 1337 CE2 PHE A 92 1.533 0.051 2.635 1.00 62.43 C ATOM 1338 CZ PHE A 92 1.946 1.335 2.336 1.00 32.34 C ATOM 0 H PHE A 92 6.877 -0.229 4.016 1.00 44.22 H new ATOM 0 HA PHE A 92 4.644 -1.574 5.413 1.00 44.42 H new ATOM 0 HB2 PHE A 92 5.629 -1.678 2.553 1.00 11.33 H new ATOM 0 HB3 PHE A 92 4.350 -2.675 3.218 1.00 11.33 H new ATOM 0 HD1 PHE A 92 5.274 0.915 2.661 1.00 72.15 H new ATOM 0 HD2 PHE A 92 2.135 -1.924 3.173 1.00 41.00 H new ATOM 0 HE1 PHE A 92 3.619 2.647 2.117 1.00 11.42 H new ATOM 0 HE2 PHE A 92 0.481 -0.193 2.628 1.00 62.43 H new ATOM 0 HZ PHE A 92 1.218 2.095 2.094 1.00 32.34 H new ATOM 1348 N ARG A 93 6.226 -3.409 6.043 1.00 41.23 N ATOM 1349 CA ARG A 93 7.123 -4.468 6.402 1.00 44.21 C ATOM 1350 C ARG A 93 6.357 -5.734 6.594 1.00 55.21 C ATOM 1351 O ARG A 93 5.174 -5.712 6.980 1.00 21.12 O ATOM 1352 CB ARG A 93 7.836 -4.165 7.720 1.00 30.33 C ATOM 1353 CG ARG A 93 8.614 -2.865 7.785 1.00 1.44 C ATOM 1354 CD ARG A 93 9.254 -2.758 9.146 1.00 31.35 C ATOM 1355 NE ARG A 93 9.900 -1.474 9.402 1.00 73.21 N ATOM 1356 CZ ARG A 93 10.260 -1.054 10.616 1.00 24.24 C ATOM 1357 NH1 ARG A 93 10.139 -1.867 11.665 1.00 30.34 N ATOM 1358 NH2 ARG A 93 10.754 0.168 10.769 1.00 64.12 N ATOM 0 H ARG A 93 5.459 -3.254 6.698 1.00 41.23 H new ATOM 0 HA ARG A 93 7.853 -4.564 5.598 1.00 44.21 H new ATOM 0 HB2 ARG A 93 7.092 -4.158 8.517 1.00 30.33 H new ATOM 0 HB3 ARG A 93 8.523 -4.984 7.933 1.00 30.33 H new ATOM 0 HG2 ARG A 93 9.375 -2.840 7.005 1.00 1.44 H new ATOM 0 HG3 ARG A 93 7.951 -2.018 7.611 1.00 1.44 H new ATOM 0 HD2 ARG A 93 8.493 -2.928 9.908 1.00 31.35 H new ATOM 0 HD3 ARG A 93 9.993 -3.552 9.251 1.00 31.35 H new ATOM 0 HE ARG A 93 10.087 -0.863 8.607 1.00 73.21 H new ATOM 0 HH11 ARG A 93 9.771 -2.810 11.540 1.00 30.34 H new ATOM 0 HH12 ARG A 93 10.414 -1.546 12.593 1.00 30.34 H new ATOM 0 HH21 ARG A 93 10.857 0.781 9.961 1.00 64.12 H new ATOM 0 HH22 ARG A 93 11.031 0.494 11.695 1.00 64.12 H new ATOM 1372 N ILE A 94 6.985 -6.828 6.331 1.00 61.10 N ATOM 1373 CA ILE A 94 6.365 -8.080 6.654 1.00 44.14 C ATOM 1374 C ILE A 94 7.214 -8.781 7.685 1.00 44.23 C ATOM 1375 O ILE A 94 8.453 -8.679 7.676 1.00 4.32 O ATOM 1376 CB ILE A 94 6.036 -9.044 5.435 1.00 72.31 C ATOM 1377 CG1 ILE A 94 7.256 -9.842 4.913 1.00 23.14 C ATOM 1378 CG2 ILE A 94 5.355 -8.292 4.295 1.00 14.23 C ATOM 1379 CD1 ILE A 94 8.388 -9.017 4.415 1.00 2.31 C ATOM 0 H ILE A 94 7.908 -6.890 5.902 1.00 61.10 H new ATOM 0 HA ILE A 94 5.377 -7.831 7.041 1.00 44.14 H new ATOM 0 HB ILE A 94 5.342 -9.783 5.836 1.00 72.31 H new ATOM 0 HG12 ILE A 94 7.621 -10.483 5.716 1.00 23.14 H new ATOM 0 HG13 ILE A 94 6.923 -10.497 4.108 1.00 23.14 H new ATOM 0 HG21 ILE A 94 5.145 -8.982 3.478 1.00 14.23 H new ATOM 0 HG22 ILE A 94 4.421 -7.857 4.652 1.00 14.23 H new ATOM 0 HG23 ILE A 94 6.012 -7.498 3.939 1.00 14.23 H new ATOM 0 HD11 ILE A 94 9.191 -9.670 4.073 1.00 2.31 H new ATOM 0 HD12 ILE A 94 8.048 -8.395 3.587 1.00 2.31 H new ATOM 0 HD13 ILE A 94 8.756 -8.381 5.220 1.00 2.31 H new ATOM 1391 N ASN A 95 6.572 -9.363 8.613 1.00 23.02 N ATOM 1392 CA ASN A 95 7.211 -10.130 9.630 1.00 23.24 C ATOM 1393 C ASN A 95 6.663 -11.533 9.493 1.00 55.30 C ATOM 1394 O ASN A 95 5.509 -11.682 9.096 1.00 74.54 O ATOM 1395 CB ASN A 95 6.956 -9.488 11.018 1.00 32.04 C ATOM 1396 CG ASN A 95 7.679 -10.174 12.148 1.00 34.02 C ATOM 1397 OD1 ASN A 95 8.860 -9.918 12.387 1.00 42.15 O ATOM 1398 ND2 ASN A 95 6.975 -10.940 12.916 1.00 12.33 N ATOM 0 H ASN A 95 5.556 -9.326 8.701 1.00 23.02 H new ATOM 0 HA ASN A 95 8.296 -10.157 9.529 1.00 23.24 H new ATOM 0 HB2 ASN A 95 7.261 -8.442 10.986 1.00 32.04 H new ATOM 0 HB3 ASN A 95 5.886 -9.501 11.223 1.00 32.04 H new ATOM 0 HD21 ASN A 95 7.395 -11.353 13.749 1.00 12.33 H new ATOM 0 HD22 ASN A 95 5.999 -11.132 12.689 1.00 12.33 H new ATOM 1405 N GLU A 96 7.475 -12.550 9.752 1.00 13.33 N ATOM 1406 CA GLU A 96 7.081 -13.955 9.512 1.00 22.31 C ATOM 1407 C GLU A 96 5.767 -14.369 10.213 1.00 41.11 C ATOM 1408 O GLU A 96 5.150 -15.374 9.845 1.00 30.32 O ATOM 1409 CB GLU A 96 8.219 -14.964 9.833 1.00 44.44 C ATOM 1410 CG GLU A 96 8.464 -15.287 11.314 1.00 42.12 C ATOM 1411 CD GLU A 96 8.931 -14.126 12.147 1.00 3.11 C ATOM 1412 OE1 GLU A 96 10.151 -13.901 12.245 1.00 12.20 O ATOM 1413 OE2 GLU A 96 8.105 -13.465 12.768 1.00 25.20 O ATOM 0 H GLU A 96 8.416 -12.440 10.130 1.00 13.33 H new ATOM 0 HA GLU A 96 6.887 -13.998 8.440 1.00 22.31 H new ATOM 0 HB2 GLU A 96 8.001 -15.897 9.314 1.00 44.44 H new ATOM 0 HB3 GLU A 96 9.146 -14.574 9.413 1.00 44.44 H new ATOM 0 HG2 GLU A 96 7.540 -15.675 11.744 1.00 42.12 H new ATOM 0 HG3 GLU A 96 9.205 -16.083 11.379 1.00 42.12 H new ATOM 1420 N GLY A 97 5.369 -13.635 11.226 1.00 73.11 N ATOM 1421 CA GLY A 97 4.127 -13.940 11.892 1.00 42.12 C ATOM 1422 C GLY A 97 2.994 -12.958 11.585 1.00 33.43 C ATOM 1423 O GLY A 97 1.830 -13.359 11.533 1.00 13.10 O ATOM 0 H GLY A 97 5.878 -12.835 11.601 1.00 73.11 H new ATOM 0 HA2 GLY A 97 3.811 -14.943 11.606 1.00 42.12 H new ATOM 0 HA3 GLY A 97 4.299 -13.955 12.968 1.00 42.12 H new ATOM 1427 N GLU A 98 3.322 -11.692 11.350 1.00 54.13 N ATOM 1428 CA GLU A 98 2.322 -10.640 11.150 1.00 62.01 C ATOM 1429 C GLU A 98 2.835 -9.626 10.132 1.00 32.22 C ATOM 1430 O GLU A 98 4.029 -9.383 10.059 1.00 11.35 O ATOM 1431 CB GLU A 98 2.052 -9.896 12.478 1.00 42.41 C ATOM 1432 CG GLU A 98 1.400 -10.725 13.580 1.00 2.31 C ATOM 1433 CD GLU A 98 1.233 -9.966 14.882 1.00 23.50 C ATOM 1434 OE1 GLU A 98 0.183 -9.326 15.100 1.00 22.54 O ATOM 1435 OE2 GLU A 98 2.135 -10.018 15.728 1.00 22.41 O ATOM 0 H GLU A 98 4.286 -11.363 11.292 1.00 54.13 H new ATOM 0 HA GLU A 98 1.403 -11.106 10.793 1.00 62.01 H new ATOM 0 HB2 GLU A 98 2.998 -9.506 12.854 1.00 42.41 H new ATOM 0 HB3 GLU A 98 1.414 -9.037 12.269 1.00 42.41 H new ATOM 0 HG2 GLU A 98 0.423 -11.066 13.238 1.00 2.31 H new ATOM 0 HG3 GLU A 98 2.003 -11.615 13.761 1.00 2.31 H new ATOM 1442 N PHE A 99 1.955 -9.045 9.358 1.00 4.21 N ATOM 1443 CA PHE A 99 2.358 -8.004 8.410 1.00 35.25 C ATOM 1444 C PHE A 99 2.137 -6.663 9.101 1.00 52.23 C ATOM 1445 O PHE A 99 1.060 -6.433 9.636 1.00 41.23 O ATOM 1446 CB PHE A 99 1.511 -8.067 7.121 1.00 13.35 C ATOM 1447 CG PHE A 99 1.368 -9.449 6.532 1.00 12.41 C ATOM 1448 CD1 PHE A 99 2.409 -10.042 5.861 1.00 2.33 C ATOM 1449 CD2 PHE A 99 0.179 -10.148 6.659 1.00 32.45 C ATOM 1450 CE1 PHE A 99 2.277 -11.306 5.327 1.00 44.24 C ATOM 1451 CE2 PHE A 99 0.039 -11.412 6.127 1.00 41.52 C ATOM 1452 CZ PHE A 99 1.091 -11.992 5.459 1.00 44.30 C ATOM 0 H PHE A 99 0.959 -9.263 9.355 1.00 4.21 H new ATOM 0 HA PHE A 99 3.401 -8.142 8.124 1.00 35.25 H new ATOM 0 HB2 PHE A 99 0.518 -7.673 7.335 1.00 13.35 H new ATOM 0 HB3 PHE A 99 1.960 -7.412 6.374 1.00 13.35 H new ATOM 0 HD1 PHE A 99 3.343 -9.511 5.750 1.00 2.33 H new ATOM 0 HD2 PHE A 99 -0.651 -9.696 7.182 1.00 32.45 H new ATOM 0 HE1 PHE A 99 3.106 -11.759 4.804 1.00 44.24 H new ATOM 0 HE2 PHE A 99 -0.894 -11.945 6.235 1.00 41.52 H new ATOM 0 HZ PHE A 99 0.987 -12.982 5.039 1.00 44.30 H new ATOM 1462 N GLU A 100 3.111 -5.789 9.104 1.00 34.45 N ATOM 1463 CA GLU A 100 2.960 -4.554 9.846 1.00 73.05 C ATOM 1464 C GLU A 100 3.363 -3.342 9.014 1.00 3.32 C ATOM 1465 O GLU A 100 4.435 -3.311 8.407 1.00 23.44 O ATOM 1466 CB GLU A 100 3.750 -4.617 11.161 1.00 43.04 C ATOM 1467 CG GLU A 100 3.559 -3.411 12.068 1.00 60.35 C ATOM 1468 CD GLU A 100 4.316 -3.534 13.365 1.00 21.32 C ATOM 1469 OE1 GLU A 100 3.791 -4.117 14.336 1.00 74.44 O ATOM 1470 OE2 GLU A 100 5.461 -3.066 13.448 1.00 42.14 O ATOM 0 H GLU A 100 3.999 -5.900 8.615 1.00 34.45 H new ATOM 0 HA GLU A 100 1.904 -4.436 10.087 1.00 73.05 H new ATOM 0 HB2 GLU A 100 3.456 -5.515 11.704 1.00 43.04 H new ATOM 0 HB3 GLU A 100 4.810 -4.717 10.929 1.00 43.04 H new ATOM 0 HG2 GLU A 100 3.886 -2.512 11.545 1.00 60.35 H new ATOM 0 HG3 GLU A 100 2.497 -3.287 12.282 1.00 60.35 H new ATOM 1477 N VAL A 101 2.496 -2.364 8.973 1.00 43.21 N ATOM 1478 CA VAL A 101 2.773 -1.141 8.267 1.00 4.14 C ATOM 1479 C VAL A 101 2.860 -0.024 9.289 1.00 3.42 C ATOM 1480 O VAL A 101 1.896 0.230 10.023 1.00 42.32 O ATOM 1481 CB VAL A 101 1.653 -0.809 7.235 1.00 73.34 C ATOM 1482 CG1 VAL A 101 1.972 0.472 6.468 1.00 5.33 C ATOM 1483 CG2 VAL A 101 1.438 -1.970 6.271 1.00 3.45 C ATOM 0 H VAL A 101 1.582 -2.392 9.426 1.00 43.21 H new ATOM 0 HA VAL A 101 3.708 -1.250 7.717 1.00 4.14 H new ATOM 0 HB VAL A 101 0.729 -0.650 7.791 1.00 73.34 H new ATOM 0 HG11 VAL A 101 1.173 0.678 5.756 1.00 5.33 H new ATOM 0 HG12 VAL A 101 2.058 1.303 7.168 1.00 5.33 H new ATOM 0 HG13 VAL A 101 2.913 0.350 5.932 1.00 5.33 H new ATOM 0 HG21 VAL A 101 0.652 -1.713 5.561 1.00 3.45 H new ATOM 0 HG22 VAL A 101 2.363 -2.170 5.731 1.00 3.45 H new ATOM 0 HG23 VAL A 101 1.145 -2.858 6.831 1.00 3.45 H new ATOM 1493 N VAL A 102 4.010 0.587 9.370 1.00 42.33 N ATOM 1494 CA VAL A 102 4.249 1.690 10.279 1.00 52.42 C ATOM 1495 C VAL A 102 4.670 2.924 9.499 1.00 41.44 C ATOM 1496 O VAL A 102 5.517 2.827 8.608 1.00 53.54 O ATOM 1497 CB VAL A 102 5.340 1.351 11.362 1.00 41.21 C ATOM 1498 CG1 VAL A 102 4.862 0.254 12.290 1.00 0.21 C ATOM 1499 CG2 VAL A 102 6.671 0.936 10.725 1.00 72.12 C ATOM 0 H VAL A 102 4.820 0.336 8.804 1.00 42.33 H new ATOM 0 HA VAL A 102 3.314 1.881 10.805 1.00 52.42 H new ATOM 0 HB VAL A 102 5.504 2.263 11.936 1.00 41.21 H new ATOM 0 HG11 VAL A 102 5.635 0.040 13.028 1.00 0.21 H new ATOM 0 HG12 VAL A 102 3.954 0.578 12.799 1.00 0.21 H new ATOM 0 HG13 VAL A 102 4.653 -0.646 11.712 1.00 0.21 H new ATOM 0 HG21 VAL A 102 7.395 0.711 11.508 1.00 72.12 H new ATOM 0 HG22 VAL A 102 6.518 0.051 10.107 1.00 72.12 H new ATOM 0 HG23 VAL A 102 7.048 1.750 10.106 1.00 72.12 H new ATOM 1509 N ASP A 103 4.072 4.057 9.743 1.00 74.32 N ATOM 1510 CA ASP A 103 4.629 5.243 9.140 1.00 25.04 C ATOM 1511 C ASP A 103 5.516 5.923 10.156 1.00 32.25 C ATOM 1512 O ASP A 103 5.199 5.949 11.362 1.00 40.50 O ATOM 1513 CB ASP A 103 3.583 6.216 8.592 1.00 43.00 C ATOM 1514 CG ASP A 103 3.032 7.175 9.616 1.00 22.13 C ATOM 1515 OD1 ASP A 103 2.147 6.809 10.370 1.00 3.30 O ATOM 1516 OD2 ASP A 103 3.468 8.341 9.649 1.00 73.34 O ATOM 0 H ASP A 103 3.243 4.188 10.323 1.00 74.32 H new ATOM 0 HA ASP A 103 5.203 4.929 8.268 1.00 25.04 H new ATOM 0 HB2 ASP A 103 4.027 6.788 7.778 1.00 43.00 H new ATOM 0 HB3 ASP A 103 2.759 5.644 8.167 1.00 43.00 H new ATOM 1521 N VAL A 104 6.645 6.405 9.713 1.00 1.41 N ATOM 1522 CA VAL A 104 7.564 7.076 10.608 1.00 43.44 C ATOM 1523 C VAL A 104 7.905 8.486 10.133 1.00 41.13 C ATOM 1524 O VAL A 104 8.625 9.224 10.813 1.00 45.14 O ATOM 1525 CB VAL A 104 8.854 6.240 10.919 1.00 61.41 C ATOM 1526 CG1 VAL A 104 8.519 5.019 11.770 1.00 42.31 C ATOM 1527 CG2 VAL A 104 9.545 5.793 9.645 1.00 15.05 C ATOM 0 H VAL A 104 6.955 6.349 8.743 1.00 1.41 H new ATOM 0 HA VAL A 104 7.032 7.170 11.555 1.00 43.44 H new ATOM 0 HB VAL A 104 9.531 6.889 11.474 1.00 61.41 H new ATOM 0 HG11 VAL A 104 9.430 4.455 11.972 1.00 42.31 H new ATOM 0 HG12 VAL A 104 8.076 5.342 12.712 1.00 42.31 H new ATOM 0 HG13 VAL A 104 7.812 4.385 11.235 1.00 42.31 H new ATOM 0 HG21 VAL A 104 10.435 5.216 9.897 1.00 15.05 H new ATOM 0 HG22 VAL A 104 8.865 5.174 9.060 1.00 15.05 H new ATOM 0 HG23 VAL A 104 9.833 6.667 9.061 1.00 15.05 H new ATOM 1537 N GLY A 105 7.370 8.865 8.979 1.00 24.51 N ATOM 1538 CA GLY A 105 7.562 10.217 8.483 1.00 33.13 C ATOM 1539 C GLY A 105 6.457 11.109 8.993 1.00 65.10 C ATOM 1540 O GLY A 105 6.701 12.227 9.451 1.00 12.43 O ATOM 0 H GLY A 105 6.808 8.263 8.378 1.00 24.51 H new ATOM 0 HA2 GLY A 105 8.530 10.599 8.807 1.00 33.13 H new ATOM 0 HA3 GLY A 105 7.568 10.217 7.393 1.00 33.13 H new ATOM 1544 N SER A 106 5.233 10.591 8.909 1.00 4.01 N ATOM 1545 CA SER A 106 4.024 11.217 9.454 1.00 11.43 C ATOM 1546 C SER A 106 3.726 12.619 8.894 1.00 21.14 C ATOM 1547 O SER A 106 3.060 13.427 9.548 1.00 64.44 O ATOM 1548 CB SER A 106 4.120 11.235 10.982 1.00 40.11 C ATOM 1549 OG SER A 106 4.456 9.931 11.468 1.00 72.20 O ATOM 0 H SER A 106 5.047 9.700 8.448 1.00 4.01 H new ATOM 0 HA SER A 106 3.177 10.611 9.133 1.00 11.43 H new ATOM 0 HB2 SER A 106 4.874 11.955 11.299 1.00 40.11 H new ATOM 0 HB3 SER A 106 3.171 11.558 11.410 1.00 40.11 H new ATOM 0 HG SER A 106 3.989 9.253 10.936 1.00 72.20 H new ATOM 1555 N LEU A 107 4.136 12.877 7.668 1.00 4.43 N ATOM 1556 CA LEU A 107 3.935 14.188 7.098 1.00 34.41 C ATOM 1557 C LEU A 107 2.558 14.344 6.462 1.00 1.34 C ATOM 1558 O LEU A 107 1.874 15.333 6.699 1.00 63.41 O ATOM 1559 CB LEU A 107 5.010 14.504 6.079 1.00 30.02 C ATOM 1560 CG LEU A 107 4.961 15.917 5.486 1.00 11.33 C ATOM 1561 CD1 LEU A 107 5.154 16.969 6.565 1.00 72.21 C ATOM 1562 CD2 LEU A 107 5.986 16.085 4.381 1.00 12.43 C ATOM 0 H LEU A 107 4.603 12.206 7.058 1.00 4.43 H new ATOM 0 HA LEU A 107 3.999 14.897 7.923 1.00 34.41 H new ATOM 0 HB2 LEU A 107 5.984 14.358 6.547 1.00 30.02 H new ATOM 0 HB3 LEU A 107 4.937 13.784 5.264 1.00 30.02 H new ATOM 0 HG LEU A 107 3.972 16.057 5.050 1.00 11.33 H new ATOM 0 HD11 LEU A 107 5.115 17.962 6.116 1.00 72.21 H new ATOM 0 HD12 LEU A 107 4.363 16.876 7.310 1.00 72.21 H new ATOM 0 HD13 LEU A 107 6.122 16.825 7.044 1.00 72.21 H new ATOM 0 HD21 LEU A 107 5.927 17.097 3.981 1.00 12.43 H new ATOM 0 HD22 LEU A 107 6.985 15.911 4.782 1.00 12.43 H new ATOM 0 HD23 LEU A 107 5.784 15.368 3.586 1.00 12.43 H new ATOM 1574 N ASN A 108 2.155 13.389 5.645 1.00 44.41 N ATOM 1575 CA ASN A 108 0.878 13.532 4.946 1.00 20.33 C ATOM 1576 C ASN A 108 -0.283 12.992 5.790 1.00 62.14 C ATOM 1577 O ASN A 108 -1.435 13.362 5.596 1.00 53.11 O ATOM 1578 CB ASN A 108 0.935 12.908 3.533 1.00 53.44 C ATOM 1579 CG ASN A 108 -0.225 13.346 2.641 1.00 13.10 C ATOM 1580 OD1 ASN A 108 -0.811 14.413 2.845 1.00 54.22 O ATOM 1581 ND2 ASN A 108 -0.483 12.620 1.597 1.00 34.04 N ATOM 0 H ASN A 108 2.669 12.530 5.448 1.00 44.41 H new ATOM 0 HA ASN A 108 0.688 14.596 4.804 1.00 20.33 H new ATOM 0 HB2 ASN A 108 1.876 13.184 3.058 1.00 53.44 H new ATOM 0 HB3 ASN A 108 0.929 11.822 3.621 1.00 53.44 H new ATOM 0 HD21 ASN A 108 -1.184 12.927 0.923 1.00 34.04 H new ATOM 0 HD22 ASN A 108 0.015 11.742 1.451 1.00 34.04 H new ATOM 1588 N GLY A 109 0.040 12.158 6.764 1.00 0.42 N ATOM 1589 CA GLY A 109 -0.985 11.643 7.666 1.00 74.31 C ATOM 1590 C GLY A 109 -1.498 10.264 7.283 1.00 74.13 C ATOM 1591 O GLY A 109 -1.897 10.036 6.145 1.00 25.53 O ATOM 0 H GLY A 109 0.986 11.826 6.952 1.00 0.42 H new ATOM 0 HA2 GLY A 109 -0.580 11.602 8.677 1.00 74.31 H new ATOM 0 HA3 GLY A 109 -1.823 12.340 7.686 1.00 74.31 H new ATOM 1595 N THR A 110 -1.483 9.361 8.229 1.00 62.33 N ATOM 1596 CA THR A 110 -1.923 7.999 8.032 1.00 11.51 C ATOM 1597 C THR A 110 -3.240 7.727 8.766 1.00 24.44 C ATOM 1598 O THR A 110 -3.436 8.156 9.918 1.00 54.51 O ATOM 1599 CB THR A 110 -0.819 7.043 8.496 1.00 71.13 C ATOM 1600 OG1 THR A 110 -0.266 7.548 9.734 1.00 65.22 O ATOM 1601 CG2 THR A 110 0.264 6.963 7.436 1.00 34.55 C ATOM 0 H THR A 110 -1.159 9.553 9.177 1.00 62.33 H new ATOM 0 HA THR A 110 -2.114 7.836 6.971 1.00 11.51 H new ATOM 0 HB THR A 110 -1.226 6.044 8.654 1.00 71.13 H new ATOM 0 HG1 THR A 110 0.628 7.171 9.871 1.00 65.22 H new ATOM 0 HG21 THR A 110 1.048 6.283 7.768 1.00 34.55 H new ATOM 0 HG22 THR A 110 -0.165 6.595 6.504 1.00 34.55 H new ATOM 0 HG23 THR A 110 0.688 7.954 7.274 1.00 34.55 H new ATOM 1609 N TYR A 111 -4.157 7.088 8.085 1.00 11.31 N ATOM 1610 CA TYR A 111 -5.438 6.727 8.644 1.00 70.22 C ATOM 1611 C TYR A 111 -5.767 5.323 8.168 1.00 53.41 C ATOM 1612 O TYR A 111 -5.390 4.952 7.069 1.00 33.23 O ATOM 1613 CB TYR A 111 -6.560 7.641 8.098 1.00 44.44 C ATOM 1614 CG TYR A 111 -6.313 9.139 8.122 1.00 21.23 C ATOM 1615 CD1 TYR A 111 -5.697 9.772 7.047 1.00 51.41 C ATOM 1616 CD2 TYR A 111 -6.719 9.918 9.190 1.00 22.22 C ATOM 1617 CE1 TYR A 111 -5.492 11.133 7.042 1.00 54.40 C ATOM 1618 CE2 TYR A 111 -6.513 11.281 9.195 1.00 31.22 C ATOM 1619 CZ TYR A 111 -5.900 11.882 8.118 1.00 74.34 C ATOM 1620 OH TYR A 111 -5.702 13.249 8.115 1.00 62.40 O ATOM 0 H TYR A 111 -4.035 6.799 7.114 1.00 11.31 H new ATOM 0 HA TYR A 111 -5.382 6.813 9.729 1.00 70.22 H new ATOM 0 HB2 TYR A 111 -6.761 7.349 7.067 1.00 44.44 H new ATOM 0 HB3 TYR A 111 -7.466 7.440 8.669 1.00 44.44 H new ATOM 0 HD1 TYR A 111 -5.374 9.184 6.201 1.00 51.41 H new ATOM 0 HD2 TYR A 111 -7.205 9.451 10.034 1.00 22.22 H new ATOM 0 HE1 TYR A 111 -5.014 11.608 6.198 1.00 54.40 H new ATOM 0 HE2 TYR A 111 -6.831 11.875 10.039 1.00 31.22 H new ATOM 0 HH TYR A 111 -6.048 13.631 8.948 1.00 62.40 H new ATOM 1630 N VAL A 112 -6.447 4.562 8.960 1.00 62.54 N ATOM 1631 CA VAL A 112 -6.959 3.289 8.514 1.00 0.33 C ATOM 1632 C VAL A 112 -8.454 3.336 8.740 1.00 4.34 C ATOM 1633 O VAL A 112 -8.894 3.733 9.813 1.00 55.22 O ATOM 1634 CB VAL A 112 -6.295 2.049 9.221 1.00 74.31 C ATOM 1635 CG1 VAL A 112 -6.607 1.980 10.709 1.00 55.21 C ATOM 1636 CG2 VAL A 112 -6.686 0.751 8.524 1.00 44.20 C ATOM 0 H VAL A 112 -6.667 4.793 9.929 1.00 62.54 H new ATOM 0 HA VAL A 112 -6.714 3.143 7.462 1.00 0.33 H new ATOM 0 HB VAL A 112 -5.217 2.182 9.134 1.00 74.31 H new ATOM 0 HG11 VAL A 112 -6.123 1.105 11.142 1.00 55.21 H new ATOM 0 HG12 VAL A 112 -6.237 2.880 11.200 1.00 55.21 H new ATOM 0 HG13 VAL A 112 -7.685 1.906 10.852 1.00 55.21 H new ATOM 0 HG21 VAL A 112 -6.215 -0.091 9.031 1.00 44.20 H new ATOM 0 HG22 VAL A 112 -7.769 0.633 8.555 1.00 44.20 H new ATOM 0 HG23 VAL A 112 -6.354 0.781 7.486 1.00 44.20 H new ATOM 1646 N ASN A 113 -9.225 3.070 7.692 1.00 71.22 N ATOM 1647 CA ASN A 113 -10.702 3.161 7.732 1.00 63.42 C ATOM 1648 C ASN A 113 -11.123 4.598 8.013 1.00 62.43 C ATOM 1649 O ASN A 113 -12.242 4.857 8.446 1.00 52.24 O ATOM 1650 CB ASN A 113 -11.305 2.207 8.789 1.00 11.23 C ATOM 1651 CG ASN A 113 -11.051 0.750 8.479 1.00 2.43 C ATOM 1652 OD1 ASN A 113 -10.035 0.178 8.878 1.00 14.24 O ATOM 1653 ND2 ASN A 113 -11.963 0.131 7.792 1.00 63.54 N ATOM 0 H ASN A 113 -8.856 2.784 6.785 1.00 71.22 H new ATOM 0 HA ASN A 113 -11.086 2.855 6.759 1.00 63.42 H new ATOM 0 HB2 ASN A 113 -10.885 2.444 9.767 1.00 11.23 H new ATOM 0 HB3 ASN A 113 -12.380 2.377 8.854 1.00 11.23 H new ATOM 0 HD21 ASN A 113 -11.850 -0.858 7.568 1.00 63.54 H new ATOM 0 HD22 ASN A 113 -12.793 0.633 7.476 1.00 63.54 H new ATOM 1660 N ARG A 114 -10.193 5.527 7.705 1.00 70.44 N ATOM 1661 CA ARG A 114 -10.327 6.974 7.935 1.00 64.22 C ATOM 1662 C ARG A 114 -10.155 7.350 9.415 1.00 64.12 C ATOM 1663 O ARG A 114 -10.416 8.481 9.819 1.00 5.34 O ATOM 1664 CB ARG A 114 -11.621 7.551 7.334 1.00 63.21 C ATOM 1665 CG ARG A 114 -11.669 7.491 5.816 1.00 43.43 C ATOM 1666 CD ARG A 114 -12.965 8.065 5.271 1.00 32.31 C ATOM 1667 NE ARG A 114 -13.167 9.469 5.665 1.00 21.31 N ATOM 1668 CZ ARG A 114 -13.944 10.345 5.010 1.00 73.30 C ATOM 1669 NH1 ARG A 114 -14.535 9.998 3.866 1.00 2.43 N ATOM 1670 NH2 ARG A 114 -14.118 11.570 5.496 1.00 13.04 N ATOM 0 H ARG A 114 -9.302 5.279 7.276 1.00 70.44 H new ATOM 0 HA ARG A 114 -9.503 7.444 7.397 1.00 64.22 H new ATOM 0 HB2 ARG A 114 -12.474 7.005 7.738 1.00 63.21 H new ATOM 0 HB3 ARG A 114 -11.728 8.588 7.651 1.00 63.21 H new ATOM 0 HG2 ARG A 114 -10.825 8.043 5.403 1.00 43.43 H new ATOM 0 HG3 ARG A 114 -11.564 6.456 5.489 1.00 43.43 H new ATOM 0 HD2 ARG A 114 -12.962 7.993 4.183 1.00 32.31 H new ATOM 0 HD3 ARG A 114 -13.803 7.466 5.628 1.00 32.31 H new ATOM 0 HE ARG A 114 -12.680 9.800 6.498 1.00 21.31 H new ATOM 0 HH11 ARG A 114 -14.397 9.062 3.484 1.00 2.43 H new ATOM 0 HH12 ARG A 114 -15.125 10.668 3.373 1.00 2.43 H new ATOM 0 HH21 ARG A 114 -13.661 11.843 6.366 1.00 13.04 H new ATOM 0 HH22 ARG A 114 -14.708 12.237 4.999 1.00 13.04 H new ATOM 1684 N GLU A 115 -9.679 6.415 10.200 1.00 50.12 N ATOM 1685 CA GLU A 115 -9.388 6.643 11.599 1.00 61.43 C ATOM 1686 C GLU A 115 -7.858 6.793 11.695 1.00 11.14 C ATOM 1687 O GLU A 115 -7.135 5.875 11.283 1.00 31.25 O ATOM 1688 CB GLU A 115 -9.880 5.415 12.403 1.00 50.22 C ATOM 1689 CG GLU A 115 -10.217 5.643 13.884 1.00 65.34 C ATOM 1690 CD GLU A 115 -9.063 6.072 14.758 1.00 72.23 C ATOM 1691 OE1 GLU A 115 -8.252 5.210 15.155 1.00 41.52 O ATOM 1692 OE2 GLU A 115 -8.979 7.272 15.107 1.00 72.11 O ATOM 0 H GLU A 115 -9.480 5.465 9.886 1.00 50.12 H new ATOM 0 HA GLU A 115 -9.881 7.529 11.999 1.00 61.43 H new ATOM 0 HB2 GLU A 115 -10.768 5.021 11.910 1.00 50.22 H new ATOM 0 HB3 GLU A 115 -9.114 4.642 12.345 1.00 50.22 H new ATOM 0 HG2 GLU A 115 -10.998 6.400 13.948 1.00 65.34 H new ATOM 0 HG3 GLU A 115 -10.633 4.721 14.289 1.00 65.34 H new ATOM 1699 N PRO A 116 -7.353 7.975 12.146 1.00 35.53 N ATOM 1700 CA PRO A 116 -5.902 8.266 12.249 1.00 3.01 C ATOM 1701 C PRO A 116 -5.125 7.132 12.905 1.00 5.23 C ATOM 1702 O PRO A 116 -5.376 6.780 14.062 1.00 12.12 O ATOM 1703 CB PRO A 116 -5.856 9.508 13.129 1.00 74.34 C ATOM 1704 CG PRO A 116 -7.148 10.200 12.875 1.00 3.14 C ATOM 1705 CD PRO A 116 -8.164 9.122 12.605 1.00 3.14 C ATOM 0 HA PRO A 116 -5.445 8.397 11.268 1.00 3.01 H new ATOM 0 HB2 PRO A 116 -5.749 9.244 14.181 1.00 74.34 H new ATOM 0 HB3 PRO A 116 -5.009 10.144 12.872 1.00 74.34 H new ATOM 0 HG2 PRO A 116 -7.441 10.803 13.735 1.00 3.14 H new ATOM 0 HG3 PRO A 116 -7.065 10.877 12.025 1.00 3.14 H new ATOM 0 HD2 PRO A 116 -8.733 8.876 13.502 1.00 3.14 H new ATOM 0 HD3 PRO A 116 -8.883 9.432 11.847 1.00 3.14 H new ATOM 1713 N ARG A 117 -4.185 6.571 12.185 1.00 32.44 N ATOM 1714 CA ARG A 117 -3.484 5.408 12.652 1.00 33.45 C ATOM 1715 C ARG A 117 -2.101 5.353 12.030 1.00 73.12 C ATOM 1716 O ARG A 117 -1.984 5.283 10.816 1.00 55.43 O ATOM 1717 CB ARG A 117 -4.278 4.172 12.244 1.00 15.03 C ATOM 1718 CG ARG A 117 -3.778 2.868 12.811 1.00 34.30 C ATOM 1719 CD ARG A 117 -3.931 2.818 14.317 1.00 23.42 C ATOM 1720 NE ARG A 117 -3.540 1.523 14.846 1.00 73.31 N ATOM 1721 CZ ARG A 117 -4.079 0.935 15.907 1.00 70.50 C ATOM 1722 NH1 ARG A 117 -5.030 1.547 16.609 1.00 33.05 N ATOM 1723 NH2 ARG A 117 -3.664 -0.272 16.271 1.00 65.15 N ATOM 0 H ARG A 117 -3.889 6.906 11.268 1.00 32.44 H new ATOM 0 HA ARG A 117 -3.379 5.448 13.736 1.00 33.45 H new ATOM 0 HB2 ARG A 117 -5.315 4.309 12.551 1.00 15.03 H new ATOM 0 HB3 ARG A 117 -4.275 4.101 11.156 1.00 15.03 H new ATOM 0 HG2 ARG A 117 -4.328 2.041 12.362 1.00 34.30 H new ATOM 0 HG3 ARG A 117 -2.729 2.735 12.547 1.00 34.30 H new ATOM 0 HD2 ARG A 117 -3.321 3.598 14.772 1.00 23.42 H new ATOM 0 HD3 ARG A 117 -4.967 3.025 14.586 1.00 23.42 H new ATOM 0 HE ARG A 117 -2.791 1.026 14.364 1.00 73.31 H new ATOM 0 HH11 ARG A 117 -5.350 2.475 16.333 1.00 33.05 H new ATOM 0 HH12 ARG A 117 -5.439 1.088 17.423 1.00 33.05 H new ATOM 0 HH21 ARG A 117 -2.934 -0.743 15.736 1.00 65.15 H new ATOM 0 HH22 ARG A 117 -4.075 -0.728 17.085 1.00 65.15 H new ATOM 1737 N ASN A 118 -1.078 5.393 12.858 1.00 25.44 N ATOM 1738 CA ASN A 118 0.305 5.367 12.382 1.00 0.24 C ATOM 1739 C ASN A 118 0.774 3.964 12.074 1.00 5.13 C ATOM 1740 O ASN A 118 1.501 3.737 11.104 1.00 72.24 O ATOM 1741 CB ASN A 118 1.283 6.014 13.379 1.00 30.23 C ATOM 1742 CG ASN A 118 1.103 7.508 13.542 1.00 50.13 C ATOM 1743 OD1 ASN A 118 0.412 7.975 14.441 1.00 35.31 O ATOM 1744 ND2 ASN A 118 1.659 8.259 12.640 1.00 40.34 N ATOM 0 H ASN A 118 -1.171 5.444 13.872 1.00 25.44 H new ATOM 0 HA ASN A 118 0.305 5.953 11.463 1.00 0.24 H new ATOM 0 HB2 ASN A 118 1.162 5.536 14.351 1.00 30.23 H new ATOM 0 HB3 ASN A 118 2.303 5.816 13.051 1.00 30.23 H new ATOM 0 HD21 ASN A 118 1.527 9.270 12.666 1.00 40.34 H new ATOM 0 HD22 ASN A 118 2.228 7.838 11.906 1.00 40.34 H new ATOM 1751 N ALA A 119 0.375 3.019 12.891 1.00 73.44 N ATOM 1752 CA ALA A 119 0.792 1.659 12.690 1.00 4.50 C ATOM 1753 C ALA A 119 -0.406 0.756 12.612 1.00 42.33 C ATOM 1754 O ALA A 119 -1.368 0.928 13.354 1.00 71.14 O ATOM 1755 CB ALA A 119 1.693 1.223 13.833 1.00 60.41 C ATOM 0 H ALA A 119 -0.234 3.168 13.695 1.00 73.44 H new ATOM 0 HA ALA A 119 1.344 1.594 11.752 1.00 4.50 H new ATOM 0 HB1 ALA A 119 2.006 0.191 13.676 1.00 60.41 H new ATOM 0 HB2 ALA A 119 2.571 1.867 13.870 1.00 60.41 H new ATOM 0 HB3 ALA A 119 1.148 1.297 14.774 1.00 60.41 H new ATOM 1761 N GLN A 120 -0.366 -0.181 11.725 1.00 33.15 N ATOM 1762 CA GLN A 120 -1.408 -1.156 11.621 1.00 2.35 C ATOM 1763 C GLN A 120 -0.799 -2.494 11.363 1.00 53.14 C ATOM 1764 O GLN A 120 0.137 -2.625 10.563 1.00 63.14 O ATOM 1765 CB GLN A 120 -2.443 -0.793 10.541 1.00 1.20 C ATOM 1766 CG GLN A 120 -3.604 -1.795 10.417 1.00 41.33 C ATOM 1767 CD GLN A 120 -4.311 -2.064 11.747 1.00 75.34 C ATOM 1768 OE1 GLN A 120 -3.970 -2.982 12.481 1.00 32.54 O ATOM 1769 NE2 GLN A 120 -5.236 -1.249 12.074 1.00 2.22 N ATOM 0 H GLN A 120 0.389 -0.296 11.049 1.00 33.15 H new ATOM 0 HA GLN A 120 -1.954 -1.180 12.564 1.00 2.35 H new ATOM 0 HB2 GLN A 120 -2.851 0.193 10.762 1.00 1.20 H new ATOM 0 HB3 GLN A 120 -1.937 -0.720 9.579 1.00 1.20 H new ATOM 0 HG2 GLN A 120 -4.329 -1.414 9.698 1.00 41.33 H new ATOM 0 HG3 GLN A 120 -3.223 -2.735 10.018 1.00 41.33 H new ATOM 0 HE21 GLN A 120 -5.498 -0.494 11.440 1.00 2.22 H new ATOM 0 HE22 GLN A 120 -5.714 -1.353 12.969 1.00 2.22 H new ATOM 1778 N VAL A 121 -1.319 -3.476 12.022 1.00 13.11 N ATOM 1779 CA VAL A 121 -0.807 -4.799 11.908 1.00 22.34 C ATOM 1780 C VAL A 121 -1.831 -5.662 11.205 1.00 73.21 C ATOM 1781 O VAL A 121 -2.800 -6.117 11.816 1.00 43.20 O ATOM 1782 CB VAL A 121 -0.436 -5.427 13.271 1.00 61.23 C ATOM 1783 CG1 VAL A 121 0.291 -6.743 13.055 1.00 23.04 C ATOM 1784 CG2 VAL A 121 0.414 -4.484 14.109 1.00 12.21 C ATOM 0 H VAL A 121 -2.113 -3.382 12.656 1.00 13.11 H new ATOM 0 HA VAL A 121 0.117 -4.744 11.332 1.00 22.34 H new ATOM 0 HB VAL A 121 -1.360 -5.612 13.819 1.00 61.23 H new ATOM 0 HG11 VAL A 121 0.549 -7.179 14.020 1.00 23.04 H new ATOM 0 HG12 VAL A 121 -0.355 -7.430 12.508 1.00 23.04 H new ATOM 0 HG13 VAL A 121 1.201 -6.566 12.482 1.00 23.04 H new ATOM 0 HG21 VAL A 121 0.655 -4.959 15.060 1.00 12.21 H new ATOM 0 HG22 VAL A 121 1.336 -4.253 13.575 1.00 12.21 H new ATOM 0 HG23 VAL A 121 -0.139 -3.563 14.294 1.00 12.21 H new ATOM 1794 N MET A 122 -1.609 -5.816 9.919 1.00 34.43 N ATOM 1795 CA MET A 122 -2.404 -6.604 8.972 1.00 22.52 C ATOM 1796 C MET A 122 -3.923 -6.506 9.117 1.00 12.03 C ATOM 1797 O MET A 122 -4.547 -7.176 9.952 1.00 24.44 O ATOM 1798 CB MET A 122 -1.911 -8.063 8.843 1.00 52.23 C ATOM 1799 CG MET A 122 -2.046 -8.950 10.076 1.00 52.22 C ATOM 1800 SD MET A 122 -1.256 -10.548 9.818 1.00 70.32 S ATOM 1801 CE MET A 122 -1.700 -11.401 11.327 1.00 64.24 C ATOM 0 H MET A 122 -0.814 -5.367 9.464 1.00 34.43 H new ATOM 0 HA MET A 122 -2.213 -6.108 8.020 1.00 22.52 H new ATOM 0 HB2 MET A 122 -2.457 -8.534 8.025 1.00 52.23 H new ATOM 0 HB3 MET A 122 -0.860 -8.041 8.554 1.00 52.23 H new ATOM 0 HG2 MET A 122 -1.596 -8.453 10.936 1.00 52.22 H new ATOM 0 HG3 MET A 122 -3.101 -9.096 10.308 1.00 52.22 H new ATOM 0 HE1 MET A 122 -1.019 -12.237 11.486 1.00 64.24 H new ATOM 0 HE2 MET A 122 -1.631 -10.712 12.168 1.00 64.24 H new ATOM 0 HE3 MET A 122 -2.721 -11.775 11.247 1.00 64.24 H new ATOM 1811 N GLN A 123 -4.514 -5.673 8.303 1.00 50.00 N ATOM 1812 CA GLN A 123 -5.893 -5.561 8.242 1.00 64.31 C ATOM 1813 C GLN A 123 -6.151 -5.883 6.793 1.00 34.02 C ATOM 1814 O GLN A 123 -5.590 -5.226 5.926 1.00 14.12 O ATOM 1815 CB GLN A 123 -6.231 -4.106 8.567 1.00 1.22 C ATOM 1816 CG GLN A 123 -7.678 -3.815 8.810 1.00 43.54 C ATOM 1817 CD GLN A 123 -8.234 -4.498 10.022 1.00 53.44 C ATOM 1818 OE1 GLN A 123 -7.524 -4.757 10.988 1.00 20.05 O ATOM 1819 NE2 GLN A 123 -9.505 -4.775 9.989 1.00 62.14 N ATOM 0 H GLN A 123 -4.015 -5.055 7.664 1.00 50.00 H new ATOM 0 HA GLN A 123 -6.471 -6.191 8.918 1.00 64.31 H new ATOM 0 HB2 GLN A 123 -5.666 -3.810 9.451 1.00 1.22 H new ATOM 0 HB3 GLN A 123 -5.887 -3.480 7.744 1.00 1.22 H new ATOM 0 HG2 GLN A 123 -7.810 -2.738 8.918 1.00 43.54 H new ATOM 0 HG3 GLN A 123 -8.253 -4.121 7.936 1.00 43.54 H new ATOM 0 HE21 GLN A 123 -10.057 -4.541 9.164 1.00 62.14 H new ATOM 0 HE22 GLN A 123 -9.950 -5.226 10.789 1.00 62.14 H new ATOM 1828 N THR A 124 -6.937 -6.867 6.514 1.00 3.25 N ATOM 1829 CA THR A 124 -7.066 -7.291 5.160 1.00 62.12 C ATOM 1830 C THR A 124 -8.434 -6.947 4.622 1.00 3.14 C ATOM 1831 O THR A 124 -9.475 -7.226 5.250 1.00 44.43 O ATOM 1832 CB THR A 124 -6.695 -8.805 4.968 1.00 4.11 C ATOM 1833 OG1 THR A 124 -6.641 -9.146 3.571 1.00 23.43 O ATOM 1834 CG2 THR A 124 -7.666 -9.738 5.693 1.00 2.42 C ATOM 0 H THR A 124 -7.493 -7.387 7.193 1.00 3.25 H new ATOM 0 HA THR A 124 -6.337 -6.739 4.566 1.00 62.12 H new ATOM 0 HB THR A 124 -5.709 -8.943 5.411 1.00 4.11 H new ATOM 0 HG1 THR A 124 -6.422 -10.096 3.474 1.00 23.43 H new ATOM 0 HG21 THR A 124 -7.366 -10.773 5.529 1.00 2.42 H new ATOM 0 HG22 THR A 124 -7.651 -9.520 6.761 1.00 2.42 H new ATOM 0 HG23 THR A 124 -8.674 -9.586 5.306 1.00 2.42 H new ATOM 1842 N GLY A 125 -8.429 -6.287 3.500 1.00 31.22 N ATOM 1843 CA GLY A 125 -9.644 -5.862 2.889 1.00 33.02 C ATOM 1844 C GLY A 125 -10.049 -4.528 3.420 1.00 31.44 C ATOM 1845 O GLY A 125 -11.209 -4.123 3.304 1.00 41.34 O ATOM 0 H GLY A 125 -7.584 -6.032 2.989 1.00 31.22 H new ATOM 0 HA2 GLY A 125 -9.516 -5.808 1.808 1.00 33.02 H new ATOM 0 HA3 GLY A 125 -10.431 -6.592 3.081 1.00 33.02 H new ATOM 1849 N ASP A 126 -9.107 -3.850 4.040 1.00 2.32 N ATOM 1850 CA ASP A 126 -9.382 -2.560 4.597 1.00 42.01 C ATOM 1851 C ASP A 126 -8.663 -1.471 3.891 1.00 24.31 C ATOM 1852 O ASP A 126 -7.667 -1.707 3.189 1.00 24.15 O ATOM 1853 CB ASP A 126 -9.188 -2.499 6.105 1.00 43.02 C ATOM 1854 CG ASP A 126 -10.413 -3.025 6.850 1.00 52.03 C ATOM 1855 OD1 ASP A 126 -11.467 -2.340 6.848 1.00 72.22 O ATOM 1856 OD2 ASP A 126 -10.367 -4.119 7.433 1.00 21.51 O ATOM 0 H ASP A 126 -8.149 -4.177 4.167 1.00 2.32 H new ATOM 0 HA ASP A 126 -10.446 -2.392 4.430 1.00 42.01 H new ATOM 0 HB2 ASP A 126 -8.312 -3.085 6.384 1.00 43.02 H new ATOM 0 HB3 ASP A 126 -8.992 -1.470 6.406 1.00 43.02 H new ATOM 1861 N GLU A 127 -9.137 -0.283 4.100 1.00 55.25 N ATOM 1862 CA GLU A 127 -8.686 0.861 3.387 1.00 53.54 C ATOM 1863 C GLU A 127 -7.838 1.759 4.275 1.00 54.50 C ATOM 1864 O GLU A 127 -8.265 2.202 5.343 1.00 54.21 O ATOM 1865 CB GLU A 127 -9.915 1.607 2.873 1.00 11.24 C ATOM 1866 CG GLU A 127 -9.638 2.840 2.048 1.00 63.43 C ATOM 1867 CD GLU A 127 -10.914 3.466 1.559 1.00 44.32 C ATOM 1868 OE1 GLU A 127 -11.487 4.323 2.270 1.00 1.44 O ATOM 1869 OE2 GLU A 127 -11.378 3.106 0.459 1.00 34.22 O ATOM 0 H GLU A 127 -9.864 -0.082 4.787 1.00 55.25 H new ATOM 0 HA GLU A 127 -8.056 0.555 2.552 1.00 53.54 H new ATOM 0 HB2 GLU A 127 -10.510 0.918 2.274 1.00 11.24 H new ATOM 0 HB3 GLU A 127 -10.526 1.895 3.729 1.00 11.24 H new ATOM 0 HG2 GLU A 127 -9.081 3.562 2.645 1.00 63.43 H new ATOM 0 HG3 GLU A 127 -9.009 2.578 1.197 1.00 63.43 H new ATOM 1876 N ILE A 128 -6.646 1.988 3.834 1.00 13.14 N ATOM 1877 CA ILE A 128 -5.718 2.857 4.473 1.00 42.02 C ATOM 1878 C ILE A 128 -5.730 4.162 3.701 1.00 62.05 C ATOM 1879 O ILE A 128 -5.636 4.167 2.471 1.00 62.51 O ATOM 1880 CB ILE A 128 -4.275 2.254 4.466 1.00 51.01 C ATOM 1881 CG1 ILE A 128 -4.252 0.896 5.192 1.00 41.41 C ATOM 1882 CG2 ILE A 128 -3.271 3.225 5.101 1.00 61.40 C ATOM 1883 CD1 ILE A 128 -2.895 0.211 5.192 1.00 3.13 C ATOM 0 H ILE A 128 -6.279 1.558 2.985 1.00 13.14 H new ATOM 0 HA ILE A 128 -6.002 3.004 5.515 1.00 42.02 H new ATOM 0 HB ILE A 128 -3.980 2.095 3.429 1.00 51.01 H new ATOM 0 HG12 ILE A 128 -4.572 1.043 6.224 1.00 41.41 H new ATOM 0 HG13 ILE A 128 -4.980 0.234 4.724 1.00 41.41 H new ATOM 0 HG21 ILE A 128 -2.275 2.782 5.084 1.00 61.40 H new ATOM 0 HG22 ILE A 128 -3.262 4.159 4.539 1.00 61.40 H new ATOM 0 HG23 ILE A 128 -3.561 3.425 6.132 1.00 61.40 H new ATOM 0 HD11 ILE A 128 -2.967 -0.738 5.723 1.00 3.13 H new ATOM 0 HD12 ILE A 128 -2.579 0.029 4.165 1.00 3.13 H new ATOM 0 HD13 ILE A 128 -2.165 0.850 5.688 1.00 3.13 H new ATOM 1895 N GLN A 129 -5.874 5.240 4.392 1.00 52.53 N ATOM 1896 CA GLN A 129 -5.907 6.520 3.773 1.00 15.25 C ATOM 1897 C GLN A 129 -4.655 7.279 4.136 1.00 0.01 C ATOM 1898 O GLN A 129 -4.310 7.399 5.313 1.00 72.44 O ATOM 1899 CB GLN A 129 -7.178 7.302 4.164 1.00 14.13 C ATOM 1900 CG GLN A 129 -7.251 8.706 3.575 1.00 20.03 C ATOM 1901 CD GLN A 129 -8.541 9.426 3.899 1.00 53.43 C ATOM 1902 OE1 GLN A 129 -8.657 10.133 4.910 1.00 2.21 O ATOM 1903 NE2 GLN A 129 -9.518 9.244 3.071 1.00 70.42 N ATOM 0 H GLN A 129 -5.973 5.259 5.407 1.00 52.53 H new ATOM 0 HA GLN A 129 -5.941 6.392 2.691 1.00 15.25 H new ATOM 0 HB2 GLN A 129 -8.053 6.738 3.840 1.00 14.13 H new ATOM 0 HB3 GLN A 129 -7.228 7.372 5.251 1.00 14.13 H new ATOM 0 HG2 GLN A 129 -6.412 9.293 3.949 1.00 20.03 H new ATOM 0 HG3 GLN A 129 -7.140 8.644 2.492 1.00 20.03 H new ATOM 0 HE21 GLN A 129 -9.387 8.655 2.249 1.00 70.42 H new ATOM 0 HE22 GLN A 129 -10.420 9.689 3.241 1.00 70.42 H new ATOM 1912 N ILE A 130 -3.963 7.730 3.143 1.00 24.42 N ATOM 1913 CA ILE A 130 -2.777 8.511 3.331 1.00 74.42 C ATOM 1914 C ILE A 130 -3.043 9.912 2.848 1.00 52.01 C ATOM 1915 O ILE A 130 -3.264 10.140 1.660 1.00 12.43 O ATOM 1916 CB ILE A 130 -1.460 7.915 2.683 1.00 5.43 C ATOM 1917 CG1 ILE A 130 -1.555 7.624 1.143 1.00 23.30 C ATOM 1918 CG2 ILE A 130 -0.985 6.681 3.440 1.00 21.34 C ATOM 1919 CD1 ILE A 130 -2.418 6.434 0.727 1.00 51.44 C ATOM 0 H ILE A 130 -4.204 7.567 2.165 1.00 24.42 H new ATOM 0 HA ILE A 130 -2.562 8.500 4.400 1.00 74.42 H new ATOM 0 HB ILE A 130 -0.718 8.707 2.779 1.00 5.43 H new ATOM 0 HG12 ILE A 130 -1.943 8.516 0.650 1.00 23.30 H new ATOM 0 HG13 ILE A 130 -0.546 7.463 0.763 1.00 23.30 H new ATOM 0 HG21 ILE A 130 -0.080 6.294 2.973 1.00 21.34 H new ATOM 0 HG22 ILE A 130 -0.773 6.948 4.475 1.00 21.34 H new ATOM 0 HG23 ILE A 130 -1.762 5.917 3.414 1.00 21.34 H new ATOM 0 HD11 ILE A 130 -2.404 6.336 -0.359 1.00 51.44 H new ATOM 0 HD12 ILE A 130 -2.024 5.523 1.178 1.00 51.44 H new ATOM 0 HD13 ILE A 130 -3.442 6.592 1.064 1.00 51.44 H new ATOM 1931 N GLY A 131 -3.117 10.829 3.778 1.00 41.11 N ATOM 1932 CA GLY A 131 -3.430 12.201 3.465 1.00 40.42 C ATOM 1933 C GLY A 131 -4.877 12.376 3.057 1.00 32.40 C ATOM 1934 O GLY A 131 -5.724 12.745 3.865 1.00 32.14 O ATOM 0 H GLY A 131 -2.963 10.648 4.770 1.00 41.11 H new ATOM 0 HA2 GLY A 131 -3.220 12.827 4.332 1.00 40.42 H new ATOM 0 HA3 GLY A 131 -2.782 12.545 2.659 1.00 40.42 H new ATOM 1938 N LYS A 132 -5.148 12.100 1.810 1.00 14.31 N ATOM 1939 CA LYS A 132 -6.475 12.194 1.258 1.00 15.11 C ATOM 1940 C LYS A 132 -6.648 11.092 0.189 1.00 73.20 C ATOM 1941 O LYS A 132 -7.648 11.033 -0.512 1.00 35.13 O ATOM 1942 CB LYS A 132 -6.661 13.594 0.632 1.00 5.44 C ATOM 1943 CG LYS A 132 -8.086 13.936 0.193 1.00 14.45 C ATOM 1944 CD LYS A 132 -8.151 15.284 -0.522 1.00 2.31 C ATOM 1945 CE LYS A 132 -7.715 16.437 0.373 1.00 13.40 C ATOM 1946 NZ LYS A 132 -7.781 17.733 -0.329 1.00 53.11 N ATOM 0 H LYS A 132 -4.443 11.799 1.137 1.00 14.31 H new ATOM 0 HA LYS A 132 -7.226 12.055 2.036 1.00 15.11 H new ATOM 0 HB2 LYS A 132 -6.333 14.342 1.354 1.00 5.44 H new ATOM 0 HB3 LYS A 132 -6.003 13.676 -0.233 1.00 5.44 H new ATOM 0 HG2 LYS A 132 -8.460 13.155 -0.469 1.00 14.45 H new ATOM 0 HG3 LYS A 132 -8.740 13.955 1.065 1.00 14.45 H new ATOM 0 HD2 LYS A 132 -7.515 15.254 -1.407 1.00 2.31 H new ATOM 0 HD3 LYS A 132 -9.170 15.461 -0.867 1.00 2.31 H new ATOM 0 HE2 LYS A 132 -8.351 16.470 1.258 1.00 13.40 H new ATOM 0 HE3 LYS A 132 -6.696 16.263 0.719 1.00 13.40 H new ATOM 0 HZ1 LYS A 132 -7.477 18.492 0.314 1.00 53.11 H new ATOM 0 HZ2 LYS A 132 -7.155 17.710 -1.159 1.00 53.11 H new ATOM 0 HZ3 LYS A 132 -8.758 17.912 -0.637 1.00 53.11 H new ATOM 1960 N PHE A 133 -5.681 10.204 0.096 1.00 12.11 N ATOM 1961 CA PHE A 133 -5.683 9.178 -0.936 1.00 20.25 C ATOM 1962 C PHE A 133 -6.068 7.854 -0.307 1.00 25.14 C ATOM 1963 O PHE A 133 -5.784 7.644 0.871 1.00 20.24 O ATOM 1964 CB PHE A 133 -4.287 9.076 -1.550 1.00 31.42 C ATOM 1965 CG PHE A 133 -3.700 10.405 -1.941 1.00 4.20 C ATOM 1966 CD1 PHE A 133 -4.215 11.133 -2.999 1.00 62.35 C ATOM 1967 CD2 PHE A 133 -2.630 10.925 -1.235 1.00 0.22 C ATOM 1968 CE1 PHE A 133 -3.675 12.357 -3.338 1.00 41.05 C ATOM 1969 CE2 PHE A 133 -2.087 12.138 -1.567 1.00 31.52 C ATOM 1970 CZ PHE A 133 -2.607 12.859 -2.619 1.00 53.03 C ATOM 0 H PHE A 133 -4.878 10.169 0.724 1.00 12.11 H new ATOM 0 HA PHE A 133 -6.398 9.433 -1.718 1.00 20.25 H new ATOM 0 HB2 PHE A 133 -3.621 8.590 -0.837 1.00 31.42 H new ATOM 0 HB3 PHE A 133 -4.333 8.436 -2.431 1.00 31.42 H new ATOM 0 HD1 PHE A 133 -5.047 10.740 -3.565 1.00 62.35 H new ATOM 0 HD2 PHE A 133 -2.216 10.366 -0.409 1.00 0.22 H new ATOM 0 HE1 PHE A 133 -4.086 12.921 -4.163 1.00 41.05 H new ATOM 0 HE2 PHE A 133 -1.252 12.529 -1.004 1.00 31.52 H new ATOM 0 HZ PHE A 133 -2.180 13.816 -2.882 1.00 53.03 H new ATOM 1980 N ARG A 134 -6.691 6.953 -1.060 1.00 53.12 N ATOM 1981 CA ARG A 134 -7.111 5.700 -0.458 1.00 11.42 C ATOM 1982 C ARG A 134 -6.461 4.478 -1.110 1.00 3.12 C ATOM 1983 O ARG A 134 -6.443 4.324 -2.358 1.00 73.42 O ATOM 1984 CB ARG A 134 -8.654 5.541 -0.302 1.00 71.34 C ATOM 1985 CG ARG A 134 -9.488 5.224 -1.555 1.00 2.44 C ATOM 1986 CD ARG A 134 -9.612 6.374 -2.535 1.00 30.33 C ATOM 1987 NE ARG A 134 -10.510 6.011 -3.656 1.00 11.15 N ATOM 1988 CZ ARG A 134 -10.897 6.827 -4.653 1.00 74.14 C ATOM 1989 NH1 ARG A 134 -10.521 8.100 -4.669 1.00 31.21 N ATOM 1990 NH2 ARG A 134 -11.695 6.369 -5.611 1.00 21.43 N ATOM 0 H ARG A 134 -6.909 7.062 -2.051 1.00 53.12 H new ATOM 0 HA ARG A 134 -6.731 5.752 0.562 1.00 11.42 H new ATOM 0 HB2 ARG A 134 -8.834 4.750 0.425 1.00 71.34 H new ATOM 0 HB3 ARG A 134 -9.041 6.464 0.129 1.00 71.34 H new ATOM 0 HG2 ARG A 134 -9.041 4.373 -2.068 1.00 2.44 H new ATOM 0 HG3 ARG A 134 -10.487 4.919 -1.244 1.00 2.44 H new ATOM 0 HD2 ARG A 134 -9.999 7.255 -2.023 1.00 30.33 H new ATOM 0 HD3 ARG A 134 -8.627 6.637 -2.922 1.00 30.33 H new ATOM 0 HE ARG A 134 -10.867 5.056 -3.673 1.00 11.15 H new ATOM 0 HH11 ARG A 134 -9.933 8.468 -3.921 1.00 31.21 H new ATOM 0 HH12 ARG A 134 -10.820 8.711 -5.430 1.00 31.21 H new ATOM 0 HH21 ARG A 134 -12.013 5.400 -5.590 1.00 21.43 H new ATOM 0 HH22 ARG A 134 -11.990 6.986 -6.368 1.00 21.43 H new ATOM 2004 N LEU A 135 -5.935 3.641 -0.261 1.00 20.33 N ATOM 2005 CA LEU A 135 -5.215 2.444 -0.597 1.00 11.04 C ATOM 2006 C LEU A 135 -5.911 1.285 0.105 1.00 14.31 C ATOM 2007 O LEU A 135 -6.315 1.426 1.233 1.00 0.44 O ATOM 2008 CB LEU A 135 -3.760 2.655 -0.070 1.00 0.33 C ATOM 2009 CG LEU A 135 -2.698 1.536 -0.186 1.00 65.33 C ATOM 2010 CD1 LEU A 135 -1.337 2.140 0.090 1.00 2.33 C ATOM 2011 CD2 LEU A 135 -2.930 0.424 0.836 1.00 4.24 C ATOM 0 H LEU A 135 -6.001 3.785 0.747 1.00 20.33 H new ATOM 0 HA LEU A 135 -5.188 2.229 -1.665 1.00 11.04 H new ATOM 0 HB2 LEU A 135 -3.359 3.529 -0.583 1.00 0.33 H new ATOM 0 HB3 LEU A 135 -3.838 2.912 0.986 1.00 0.33 H new ATOM 0 HG LEU A 135 -2.763 1.110 -1.187 1.00 65.33 H new ATOM 0 HD11 LEU A 135 -0.573 1.366 0.013 1.00 2.33 H new ATOM 0 HD12 LEU A 135 -1.133 2.925 -0.638 1.00 2.33 H new ATOM 0 HD13 LEU A 135 -1.324 2.564 1.094 1.00 2.33 H new ATOM 0 HD21 LEU A 135 -2.163 -0.342 0.721 1.00 4.24 H new ATOM 0 HD22 LEU A 135 -2.880 0.839 1.843 1.00 4.24 H new ATOM 0 HD23 LEU A 135 -3.912 -0.020 0.674 1.00 4.24 H new ATOM 2023 N VAL A 136 -6.078 0.174 -0.549 1.00 51.00 N ATOM 2024 CA VAL A 136 -6.678 -0.973 0.106 1.00 34.34 C ATOM 2025 C VAL A 136 -5.603 -2.022 0.331 1.00 11.24 C ATOM 2026 O VAL A 136 -4.878 -2.387 -0.602 1.00 13.04 O ATOM 2027 CB VAL A 136 -7.891 -1.555 -0.678 1.00 21.24 C ATOM 2028 CG1 VAL A 136 -8.498 -2.755 0.041 1.00 44.15 C ATOM 2029 CG2 VAL A 136 -8.947 -0.483 -0.881 1.00 30.52 C ATOM 0 H VAL A 136 -5.814 0.028 -1.523 1.00 51.00 H new ATOM 0 HA VAL A 136 -7.084 -0.648 1.064 1.00 34.34 H new ATOM 0 HB VAL A 136 -7.528 -1.893 -1.649 1.00 21.24 H new ATOM 0 HG11 VAL A 136 -9.342 -3.135 -0.535 1.00 44.15 H new ATOM 0 HG12 VAL A 136 -7.746 -3.537 0.142 1.00 44.15 H new ATOM 0 HG13 VAL A 136 -8.841 -2.451 1.030 1.00 44.15 H new ATOM 0 HG21 VAL A 136 -9.790 -0.902 -1.430 1.00 30.52 H new ATOM 0 HG22 VAL A 136 -9.289 -0.121 0.089 1.00 30.52 H new ATOM 0 HG23 VAL A 136 -8.521 0.345 -1.447 1.00 30.52 H new ATOM 2039 N PHE A 137 -5.481 -2.470 1.551 1.00 45.34 N ATOM 2040 CA PHE A 137 -4.436 -3.390 1.935 1.00 40.35 C ATOM 2041 C PHE A 137 -4.987 -4.806 2.055 1.00 23.33 C ATOM 2042 O PHE A 137 -6.038 -5.033 2.684 1.00 63.22 O ATOM 2043 CB PHE A 137 -3.798 -2.934 3.257 1.00 12.23 C ATOM 2044 CG PHE A 137 -2.604 -3.741 3.698 1.00 33.20 C ATOM 2045 CD1 PHE A 137 -1.352 -3.504 3.151 1.00 54.04 C ATOM 2046 CD2 PHE A 137 -2.732 -4.731 4.660 1.00 12.25 C ATOM 2047 CE1 PHE A 137 -0.254 -4.236 3.556 1.00 4.35 C ATOM 2048 CE2 PHE A 137 -1.638 -5.466 5.069 1.00 15.44 C ATOM 2049 CZ PHE A 137 -0.398 -5.218 4.517 1.00 65.41 C ATOM 0 H PHE A 137 -6.106 -2.208 2.314 1.00 45.34 H new ATOM 0 HA PHE A 137 -3.667 -3.395 1.163 1.00 40.35 H new ATOM 0 HB2 PHE A 137 -3.496 -1.891 3.157 1.00 12.23 H new ATOM 0 HB3 PHE A 137 -4.554 -2.973 4.041 1.00 12.23 H new ATOM 0 HD1 PHE A 137 -1.235 -2.738 2.399 1.00 54.04 H new ATOM 0 HD2 PHE A 137 -3.700 -4.930 5.095 1.00 12.25 H new ATOM 0 HE1 PHE A 137 0.716 -4.041 3.122 1.00 4.35 H new ATOM 0 HE2 PHE A 137 -1.752 -6.234 5.820 1.00 15.44 H new ATOM 0 HZ PHE A 137 0.460 -5.791 4.836 1.00 65.41 H new ATOM 2059 N LEU A 138 -4.309 -5.737 1.428 1.00 60.21 N ATOM 2060 CA LEU A 138 -4.689 -7.125 1.467 1.00 30.31 C ATOM 2061 C LEU A 138 -3.519 -7.947 1.943 1.00 51.45 C ATOM 2062 O LEU A 138 -2.346 -7.598 1.705 1.00 11.11 O ATOM 2063 CB LEU A 138 -5.129 -7.664 0.081 1.00 12.35 C ATOM 2064 CG LEU A 138 -6.401 -7.095 -0.585 1.00 23.31 C ATOM 2065 CD1 LEU A 138 -7.601 -7.195 0.322 1.00 71.42 C ATOM 2066 CD2 LEU A 138 -6.208 -5.677 -1.112 1.00 31.52 C ATOM 0 H LEU A 138 -3.474 -5.550 0.874 1.00 60.21 H new ATOM 0 HA LEU A 138 -5.538 -7.205 2.146 1.00 30.31 H new ATOM 0 HB2 LEU A 138 -4.300 -7.507 -0.609 1.00 12.35 H new ATOM 0 HB3 LEU A 138 -5.264 -8.741 0.177 1.00 12.35 H new ATOM 0 HG LEU A 138 -6.596 -7.722 -1.455 1.00 23.31 H new ATOM 0 HD11 LEU A 138 -8.475 -6.784 -0.184 1.00 71.42 H new ATOM 0 HD12 LEU A 138 -7.784 -8.241 0.570 1.00 71.42 H new ATOM 0 HD13 LEU A 138 -7.414 -6.633 1.237 1.00 71.42 H new ATOM 0 HD21 LEU A 138 -7.134 -5.330 -1.569 1.00 31.52 H new ATOM 0 HD22 LEU A 138 -5.940 -5.016 -0.288 1.00 31.52 H new ATOM 0 HD23 LEU A 138 -5.412 -5.671 -1.856 1.00 31.52 H new ATOM 2078 N ALA A 139 -3.814 -9.019 2.609 1.00 10.12 N ATOM 2079 CA ALA A 139 -2.793 -9.916 3.053 1.00 73.14 C ATOM 2080 C ALA A 139 -2.409 -10.815 1.896 1.00 63.23 C ATOM 2081 O ALA A 139 -3.287 -11.321 1.171 1.00 42.24 O ATOM 2082 CB ALA A 139 -3.279 -10.730 4.231 1.00 53.12 C ATOM 0 H ALA A 139 -4.763 -9.296 2.859 1.00 10.12 H new ATOM 0 HA ALA A 139 -1.920 -9.353 3.383 1.00 73.14 H new ATOM 0 HB1 ALA A 139 -2.489 -11.407 4.556 1.00 53.12 H new ATOM 0 HB2 ALA A 139 -3.544 -10.062 5.050 1.00 53.12 H new ATOM 0 HB3 ALA A 139 -4.155 -11.308 3.937 1.00 53.12 H new ATOM 2088 N GLY A 140 -1.125 -11.004 1.704 1.00 74.21 N ATOM 2089 CA GLY A 140 -0.652 -11.805 0.609 1.00 70.21 C ATOM 2090 C GLY A 140 -0.977 -13.264 0.810 1.00 42.30 C ATOM 2091 O GLY A 140 -1.147 -13.709 1.959 1.00 51.20 O ATOM 0 H GLY A 140 -0.391 -10.612 2.294 1.00 74.21 H new ATOM 0 HA2 GLY A 140 -1.103 -11.456 -0.320 1.00 70.21 H new ATOM 0 HA3 GLY A 140 0.426 -11.682 0.506 1.00 70.21 H new ATOM 2095 N PRO A 141 -1.102 -14.024 -0.269 1.00 1.01 N ATOM 2096 CA PRO A 141 -1.457 -15.423 -0.194 1.00 31.42 C ATOM 2097 C PRO A 141 -0.372 -16.277 0.434 1.00 35.21 C ATOM 2098 O PRO A 141 0.826 -16.109 0.154 1.00 35.32 O ATOM 2099 CB PRO A 141 -1.681 -15.833 -1.642 1.00 45.12 C ATOM 2100 CG PRO A 141 -0.895 -14.859 -2.441 1.00 24.23 C ATOM 2101 CD PRO A 141 -0.903 -13.578 -1.664 1.00 43.41 C ATOM 0 HA PRO A 141 -2.332 -15.569 0.440 1.00 31.42 H new ATOM 0 HB2 PRO A 141 -1.343 -16.854 -1.820 1.00 45.12 H new ATOM 0 HB3 PRO A 141 -2.738 -15.797 -1.904 1.00 45.12 H new ATOM 0 HG2 PRO A 141 0.124 -15.214 -2.595 1.00 24.23 H new ATOM 0 HG3 PRO A 141 -1.336 -14.719 -3.428 1.00 24.23 H new ATOM 0 HD2 PRO A 141 0.033 -13.031 -1.781 1.00 43.41 H new ATOM 0 HD3 PRO A 141 -1.703 -12.914 -1.992 1.00 43.41 H new