USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 875 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 74 HIS : no HD1:sc= -0.565 K(o=0.76,f=-5.7!) USER MOD Set 1.2: A 77 SER OG : rot 97:sc= 1.32 USER MOD Set 1.3: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 84 HIS : no HD1:sc= -0.277 K(o=0.64,f=-0.013) USER MOD Set 2.2: A 86 THR OG1 : rot 22:sc= 0.287 USER MOD Set 2.3: A 92 ASN : amide:sc= 0.628 K(o=0.64,f=-4.6!) USER MOD Set 3.1: A 1 GLY N :NH3+ -168:sc= 0.638 (180deg=0.00246) USER MOD Set 3.2: A 3 SER OG : rot 160:sc= 0.565 USER MOD Single : A 2 SER OG : rot -49:sc= 0.001 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= 0.94 (180deg=0.623) USER MOD Single : A 14 GLN :FLIP amide:sc= 0.00665 F(o=-3.3!,f=0.0066) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 2.08 (180deg=2.08) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00287 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.74) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0684) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0475) USER MOD Single : A 56 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.0044) USER MOD Single : A 61 GLN : amide:sc= 0.673 K(o=0.67,f=-0.012) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0085) USER MOD Single : A 66 THR OG1 : rot 159:sc= 1.28 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 69 CYS SG : rot 15:sc= 0.147 USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= -0.0269 (180deg=-0.055) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 33:sc= -0.429 USER MOD Single : A 85 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.041) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.00808 K(o=-0.0081,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -154:sc= -0.175 (180deg=-0.7) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.679 K(o=0.68,f=-0.68) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0.461 K(o=0.46,f=-0.21) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -96.681 -55.671 36.935 1.00 1.43 N ATOM 2 CA GLY A 1 -97.245 -55.451 38.282 1.00 44.44 C ATOM 3 C GLY A 1 -96.107 -55.619 39.266 1.00 32.23 C ATOM 4 O GLY A 1 -95.302 -56.513 39.029 1.00 51.25 O ATOM 0 H1 GLY A 1 -97.370 -55.369 36.217 1.00 1.43 H new ATOM 0 H2 GLY A 1 -95.807 -55.118 36.830 1.00 1.43 H new ATOM 0 H3 GLY A 1 -96.469 -56.681 36.808 1.00 1.43 H new ATOM 0 HA2 GLY A 1 -97.680 -54.455 38.361 1.00 44.44 H new ATOM 0 HA3 GLY A 1 -98.043 -56.165 38.488 1.00 44.44 H new ATOM 8 N SER A 2 -96.037 -54.815 40.340 1.00 32.24 N ATOM 9 CA SER A 2 -94.937 -54.892 41.313 1.00 61.50 C ATOM 10 C SER A 2 -93.613 -54.786 40.532 1.00 60.41 C ATOM 11 O SER A 2 -92.664 -55.531 40.761 1.00 61.35 O ATOM 12 CB SER A 2 -95.072 -56.167 42.164 1.00 45.33 C ATOM 13 OG SER A 2 -94.244 -56.089 43.301 1.00 5.30 O ATOM 0 H SER A 2 -96.733 -54.101 40.556 1.00 32.24 H new ATOM 0 HA SER A 2 -94.964 -54.070 42.028 1.00 61.50 H new ATOM 0 HB2 SER A 2 -96.110 -56.299 42.470 1.00 45.33 H new ATOM 0 HB3 SER A 2 -94.802 -57.039 41.569 1.00 45.33 H new ATOM 0 HG SER A 2 -93.340 -55.824 43.030 1.00 5.30 H new ATOM 19 N SER A 3 -93.594 -53.875 39.557 1.00 24.12 N ATOM 20 CA SER A 3 -92.502 -53.607 38.646 1.00 55.11 C ATOM 21 C SER A 3 -92.385 -52.098 38.452 1.00 71.33 C ATOM 22 O SER A 3 -93.411 -51.413 38.471 1.00 2.32 O ATOM 23 CB SER A 3 -92.872 -54.311 37.326 1.00 12.24 C ATOM 24 OG SER A 3 -94.207 -53.983 36.910 1.00 31.34 O ATOM 0 H SER A 3 -94.397 -53.271 39.379 1.00 24.12 H new ATOM 0 HA SER A 3 -91.543 -53.969 39.016 1.00 55.11 H new ATOM 0 HB2 SER A 3 -92.166 -54.021 36.548 1.00 12.24 H new ATOM 0 HB3 SER A 3 -92.784 -55.390 37.451 1.00 12.24 H new ATOM 0 HG SER A 3 -94.305 -54.164 35.952 1.00 31.34 H new ATOM 30 N GLY A 4 -91.176 -51.598 38.220 1.00 21.30 N ATOM 31 CA GLY A 4 -90.859 -50.195 37.999 1.00 52.12 C ATOM 32 C GLY A 4 -89.504 -50.118 37.299 1.00 14.41 C ATOM 33 O GLY A 4 -88.941 -51.156 36.948 1.00 41.41 O ATOM 0 H GLY A 4 -90.349 -52.193 38.179 1.00 21.30 H new ATOM 0 HA2 GLY A 4 -91.629 -49.722 37.390 1.00 52.12 H new ATOM 0 HA3 GLY A 4 -90.828 -49.658 38.947 1.00 52.12 H new ATOM 37 N SER A 5 -89.007 -48.911 37.044 1.00 63.21 N ATOM 38 CA SER A 5 -87.725 -48.675 36.394 1.00 42.43 C ATOM 39 C SER A 5 -87.205 -47.307 36.853 1.00 41.23 C ATOM 40 O SER A 5 -87.895 -46.596 37.586 1.00 15.20 O ATOM 41 CB SER A 5 -87.901 -48.756 34.871 1.00 31.54 C ATOM 42 OG SER A 5 -86.644 -48.846 34.234 1.00 30.42 O ATOM 0 H SER A 5 -89.497 -48.051 37.290 1.00 63.21 H new ATOM 0 HA SER A 5 -86.991 -49.433 36.670 1.00 42.43 H new ATOM 0 HB2 SER A 5 -88.509 -49.624 34.614 1.00 31.54 H new ATOM 0 HB3 SER A 5 -88.435 -47.876 34.513 1.00 31.54 H new ATOM 0 HG SER A 5 -86.772 -48.899 33.264 1.00 30.42 H new ATOM 48 N SER A 6 -85.974 -46.962 36.483 1.00 64.00 N ATOM 49 CA SER A 6 -85.318 -45.704 36.812 1.00 1.31 C ATOM 50 C SER A 6 -84.154 -45.489 35.834 1.00 73.14 C ATOM 51 O SER A 6 -83.884 -46.338 34.984 1.00 34.43 O ATOM 52 CB SER A 6 -84.864 -45.724 38.283 1.00 62.41 C ATOM 53 OG SER A 6 -84.088 -46.868 38.584 1.00 74.25 O ATOM 0 H SER A 6 -85.384 -47.578 35.923 1.00 64.00 H new ATOM 0 HA SER A 6 -86.005 -44.864 36.706 1.00 1.31 H new ATOM 0 HB2 SER A 6 -84.283 -44.826 38.495 1.00 62.41 H new ATOM 0 HB3 SER A 6 -85.739 -45.699 38.933 1.00 62.41 H new ATOM 0 HG SER A 6 -83.819 -46.842 39.526 1.00 74.25 H new ATOM 59 N GLY A 7 -83.465 -44.353 35.931 1.00 32.23 N ATOM 60 CA GLY A 7 -82.334 -44.009 35.087 1.00 62.44 C ATOM 61 C GLY A 7 -81.724 -42.709 35.597 1.00 53.23 C ATOM 62 O GLY A 7 -82.309 -42.045 36.456 1.00 30.14 O ATOM 0 H GLY A 7 -83.688 -43.632 36.617 1.00 32.23 H new ATOM 0 HA2 GLY A 7 -81.592 -44.807 35.105 1.00 62.44 H new ATOM 0 HA3 GLY A 7 -82.655 -43.895 34.052 1.00 62.44 H new ATOM 66 N LYS A 8 -80.532 -42.346 35.117 1.00 33.34 N ATOM 67 CA LYS A 8 -79.853 -41.119 35.522 1.00 43.23 C ATOM 68 C LYS A 8 -78.833 -40.721 34.464 1.00 2.20 C ATOM 69 O LYS A 8 -78.482 -41.517 33.599 1.00 60.24 O ATOM 70 CB LYS A 8 -79.171 -41.298 36.898 1.00 62.45 C ATOM 71 CG LYS A 8 -77.972 -42.268 36.877 1.00 73.12 C ATOM 72 CD LYS A 8 -77.308 -42.428 38.253 1.00 13.12 C ATOM 73 CE LYS A 8 -76.752 -41.126 38.857 1.00 52.11 C ATOM 74 NZ LYS A 8 -75.738 -40.460 38.003 1.00 10.03 N ATOM 0 H LYS A 8 -80.012 -42.898 34.435 1.00 33.34 H new ATOM 0 HA LYS A 8 -80.592 -40.324 35.616 1.00 43.23 H new ATOM 0 HB2 LYS A 8 -78.833 -40.325 37.255 1.00 62.45 H new ATOM 0 HB3 LYS A 8 -79.908 -41.662 37.614 1.00 62.45 H new ATOM 0 HG2 LYS A 8 -78.307 -43.244 36.525 1.00 73.12 H new ATOM 0 HG3 LYS A 8 -77.232 -41.908 36.162 1.00 73.12 H new ATOM 0 HD2 LYS A 8 -78.036 -42.851 38.945 1.00 13.12 H new ATOM 0 HD3 LYS A 8 -76.494 -43.148 38.167 1.00 13.12 H new ATOM 0 HE2 LYS A 8 -77.577 -40.436 39.032 1.00 52.11 H new ATOM 0 HE3 LYS A 8 -76.309 -41.346 39.828 1.00 52.11 H new ATOM 0 HZ1 LYS A 8 -75.148 -39.834 38.588 1.00 10.03 H new ATOM 0 HZ2 LYS A 8 -75.138 -41.179 37.552 1.00 10.03 H new ATOM 0 HZ3 LYS A 8 -76.216 -39.899 37.270 1.00 10.03 H new ATOM 88 N TRP A 9 -78.312 -39.507 34.595 1.00 1.13 N ATOM 89 CA TRP A 9 -77.306 -38.902 33.737 1.00 21.43 C ATOM 90 C TRP A 9 -76.256 -38.280 34.671 1.00 2.34 C ATOM 91 O TRP A 9 -76.122 -38.730 35.822 1.00 70.13 O ATOM 92 CB TRP A 9 -77.991 -37.946 32.747 1.00 43.15 C ATOM 93 CG TRP A 9 -78.749 -36.798 33.339 1.00 50.15 C ATOM 94 CD1 TRP A 9 -80.019 -36.836 33.805 1.00 13.51 C ATOM 95 CD2 TRP A 9 -78.318 -35.412 33.474 1.00 42.42 C ATOM 96 NE1 TRP A 9 -80.385 -35.581 34.252 1.00 63.02 N ATOM 97 CE2 TRP A 9 -79.374 -34.661 34.067 1.00 62.12 C ATOM 98 CE3 TRP A 9 -77.142 -34.713 33.130 1.00 33.34 C ATOM 99 CZ2 TRP A 9 -79.263 -33.286 34.322 1.00 64.31 C ATOM 100 CZ3 TRP A 9 -77.017 -33.335 33.383 1.00 24.10 C ATOM 101 CH2 TRP A 9 -78.073 -32.621 33.978 1.00 74.24 C ATOM 0 H TRP A 9 -78.599 -38.883 35.349 1.00 1.13 H new ATOM 0 HA TRP A 9 -76.780 -39.609 33.096 1.00 21.43 H new ATOM 0 HB2 TRP A 9 -77.229 -37.543 32.080 1.00 43.15 H new ATOM 0 HB3 TRP A 9 -78.678 -38.527 32.132 1.00 43.15 H new ATOM 0 HD1 TRP A 9 -80.649 -37.713 33.824 1.00 13.51 H new ATOM 0 HE1 TRP A 9 -81.290 -35.362 34.667 1.00 63.02 H new ATOM 0 HE3 TRP A 9 -76.325 -35.244 32.665 1.00 33.34 H new ATOM 0 HZ2 TRP A 9 -80.080 -32.746 34.776 1.00 64.31 H new ATOM 0 HZ3 TRP A 9 -76.104 -32.822 33.119 1.00 24.10 H new ATOM 0 HH2 TRP A 9 -77.970 -31.563 34.170 1.00 74.24 H new ATOM 112 N GLY A 10 -75.457 -37.328 34.187 1.00 2.24 N ATOM 113 CA GLY A 10 -74.432 -36.635 34.956 1.00 72.12 C ATOM 114 C GLY A 10 -73.168 -36.426 34.136 1.00 65.15 C ATOM 115 O GLY A 10 -72.989 -35.356 33.565 1.00 4.45 O ATOM 0 H GLY A 10 -75.510 -37.011 33.219 1.00 2.24 H new ATOM 0 HA2 GLY A 10 -74.815 -35.670 35.289 1.00 72.12 H new ATOM 0 HA3 GLY A 10 -74.196 -37.210 35.851 1.00 72.12 H new ATOM 119 N LEU A 11 -72.341 -37.476 34.034 1.00 15.31 N ATOM 120 CA LEU A 11 -71.059 -37.540 33.336 1.00 35.24 C ATOM 121 C LEU A 11 -70.080 -36.466 33.847 1.00 44.23 C ATOM 122 O LEU A 11 -70.369 -35.757 34.811 1.00 73.20 O ATOM 123 CB LEU A 11 -71.326 -37.529 31.823 1.00 52.12 C ATOM 124 CG LEU A 11 -71.610 -38.918 31.221 1.00 42.10 C ATOM 125 CD1 LEU A 11 -72.190 -38.762 29.813 1.00 72.51 C ATOM 126 CD2 LEU A 11 -70.348 -39.788 31.152 1.00 33.02 C ATOM 0 H LEU A 11 -72.573 -38.368 34.472 1.00 15.31 H new ATOM 0 HA LEU A 11 -70.540 -38.473 33.555 1.00 35.24 H new ATOM 0 HB2 LEU A 11 -72.176 -36.877 31.620 1.00 52.12 H new ATOM 0 HB3 LEU A 11 -70.464 -37.095 31.317 1.00 52.12 H new ATOM 0 HG LEU A 11 -72.326 -39.416 31.875 1.00 42.10 H new ATOM 0 HD11 LEU A 11 -72.390 -39.747 29.391 1.00 72.51 H new ATOM 0 HD12 LEU A 11 -73.119 -38.194 29.863 1.00 72.51 H new ATOM 0 HD13 LEU A 11 -71.475 -38.234 29.181 1.00 72.51 H new ATOM 0 HD21 LEU A 11 -70.598 -40.758 30.721 1.00 33.02 H new ATOM 0 HD22 LEU A 11 -69.600 -39.296 30.530 1.00 33.02 H new ATOM 0 HD23 LEU A 11 -69.948 -39.930 32.156 1.00 33.02 H new ATOM 138 N ARG A 12 -68.858 -36.409 33.300 1.00 44.13 N ATOM 139 CA ARG A 12 -67.847 -35.429 33.702 1.00 40.31 C ATOM 140 C ARG A 12 -66.826 -35.305 32.578 1.00 30.11 C ATOM 141 O ARG A 12 -66.210 -36.307 32.218 1.00 31.13 O ATOM 142 CB ARG A 12 -67.190 -35.844 35.040 1.00 54.40 C ATOM 143 CG ARG A 12 -66.479 -34.687 35.761 1.00 53.42 C ATOM 144 CD ARG A 12 -65.044 -34.435 35.294 1.00 2.43 C ATOM 145 NE ARG A 12 -64.111 -35.542 35.576 1.00 25.41 N ATOM 146 CZ ARG A 12 -63.368 -35.717 36.676 1.00 60.42 C ATOM 147 NH1 ARG A 12 -63.500 -34.896 37.718 1.00 33.13 N ATOM 148 NH2 ARG A 12 -62.490 -36.716 36.718 1.00 45.41 N ATOM 0 H ARG A 12 -68.545 -37.043 32.565 1.00 44.13 H new ATOM 0 HA ARG A 12 -68.307 -34.455 33.870 1.00 40.31 H new ATOM 0 HB2 ARG A 12 -67.955 -36.256 35.698 1.00 54.40 H new ATOM 0 HB3 ARG A 12 -66.470 -36.640 34.850 1.00 54.40 H new ATOM 0 HG2 ARG A 12 -67.059 -33.775 35.619 1.00 53.42 H new ATOM 0 HG3 ARG A 12 -66.468 -34.894 36.831 1.00 53.42 H new ATOM 0 HD2 ARG A 12 -65.052 -34.246 34.221 1.00 2.43 H new ATOM 0 HD3 ARG A 12 -64.672 -33.530 35.774 1.00 2.43 H new ATOM 0 HE ARG A 12 -64.022 -36.254 34.851 1.00 25.41 H new ATOM 0 HH11 ARG A 12 -64.171 -34.128 37.681 1.00 33.13 H new ATOM 0 HH12 ARG A 12 -62.931 -35.036 38.553 1.00 33.13 H new ATOM 0 HH21 ARG A 12 -62.388 -37.339 35.917 1.00 45.41 H new ATOM 0 HH22 ARG A 12 -61.919 -36.858 37.551 1.00 45.41 H new ATOM 162 N LEU A 13 -66.694 -34.121 31.986 1.00 0.32 N ATOM 163 CA LEU A 13 -65.746 -33.830 30.904 1.00 74.21 C ATOM 164 C LEU A 13 -64.553 -33.141 31.559 1.00 25.12 C ATOM 165 O LEU A 13 -64.694 -32.633 32.672 1.00 32.22 O ATOM 166 CB LEU A 13 -66.373 -32.918 29.830 1.00 61.23 C ATOM 167 CG LEU A 13 -67.258 -33.611 28.771 1.00 12.43 C ATOM 168 CD1 LEU A 13 -66.482 -34.665 27.968 1.00 53.43 C ATOM 169 CD2 LEU A 13 -68.521 -34.248 29.366 1.00 22.50 C ATOM 0 H LEU A 13 -67.257 -33.312 32.250 1.00 0.32 H new ATOM 0 HA LEU A 13 -65.452 -34.747 30.393 1.00 74.21 H new ATOM 0 HB2 LEU A 13 -66.973 -32.160 30.334 1.00 61.23 H new ATOM 0 HB3 LEU A 13 -65.568 -32.396 29.313 1.00 61.23 H new ATOM 0 HG LEU A 13 -67.570 -32.813 28.098 1.00 12.43 H new ATOM 0 HD11 LEU A 13 -67.145 -35.125 27.236 1.00 53.43 H new ATOM 0 HD12 LEU A 13 -65.648 -34.189 27.453 1.00 53.43 H new ATOM 0 HD13 LEU A 13 -66.101 -35.430 28.644 1.00 53.43 H new ATOM 0 HD21 LEU A 13 -69.100 -34.718 28.571 1.00 22.50 H new ATOM 0 HD22 LEU A 13 -68.237 -35.000 30.102 1.00 22.50 H new ATOM 0 HD23 LEU A 13 -69.124 -33.479 29.848 1.00 22.50 H new ATOM 181 N GLN A 14 -63.346 -33.263 30.998 1.00 33.42 N ATOM 182 CA GLN A 14 -62.176 -32.619 31.581 1.00 74.55 C ATOM 183 C GLN A 14 -61.067 -32.458 30.546 1.00 44.23 C ATOM 184 O GLN A 14 -60.638 -33.415 29.889 1.00 15.30 O ATOM 185 CB GLN A 14 -61.688 -33.302 32.879 1.00 2.01 C ATOM 186 CG GLN A 14 -61.032 -34.696 32.787 1.00 30.02 C ATOM 187 CD GLN A 14 -61.971 -35.906 32.679 1.00 21.32 C ATOM 188 OE1 GLN A 14 -63.283 -35.737 32.685 1.00 51.22 O flip ATOM 189 NE2 GLN A 14 -61.511 -37.037 32.667 1.00 62.42 N flip ATOM 0 H GLN A 14 -63.159 -33.797 30.149 1.00 33.42 H new ATOM 0 HA GLN A 14 -62.484 -31.619 31.888 1.00 74.55 H new ATOM 0 HB2 GLN A 14 -60.972 -32.632 33.355 1.00 2.01 H new ATOM 0 HB3 GLN A 14 -62.543 -33.384 33.550 1.00 2.01 H new ATOM 0 HG2 GLN A 14 -60.371 -34.702 31.920 1.00 30.02 H new ATOM 0 HG3 GLN A 14 -60.404 -34.833 33.667 1.00 30.02 H new ATOM 0 HE21 GLN A 14 -60.501 -37.177 32.662 1.00 62.42 H new ATOM 0 HE22 GLN A 14 -62.137 -37.842 32.662 1.00 62.42 H new ATOM 198 N GLU A 15 -60.508 -31.262 30.529 1.00 41.13 N ATOM 199 CA GLU A 15 -59.463 -30.765 29.664 1.00 60.21 C ATOM 200 C GLU A 15 -58.091 -31.059 30.267 1.00 3.44 C ATOM 201 O GLU A 15 -57.958 -31.814 31.238 1.00 74.40 O ATOM 202 CB GLU A 15 -59.735 -29.263 29.406 1.00 33.32 C ATOM 203 CG GLU A 15 -61.091 -28.966 28.716 1.00 74.24 C ATOM 204 CD GLU A 15 -62.318 -29.472 29.498 1.00 54.01 C ATOM 205 OE1 GLU A 15 -62.381 -29.190 30.718 1.00 72.40 O ATOM 206 OE2 GLU A 15 -63.063 -30.313 28.946 1.00 14.31 O ATOM 0 H GLU A 15 -60.808 -30.545 31.189 1.00 41.13 H new ATOM 0 HA GLU A 15 -59.462 -31.271 28.699 1.00 60.21 H new ATOM 0 HB2 GLU A 15 -59.701 -28.732 30.357 1.00 33.32 H new ATOM 0 HB3 GLU A 15 -58.932 -28.862 28.788 1.00 33.32 H new ATOM 0 HG2 GLU A 15 -61.185 -27.890 28.571 1.00 74.24 H new ATOM 0 HG3 GLU A 15 -61.091 -29.423 27.726 1.00 74.24 H new ATOM 213 N LYS A 16 -57.040 -30.574 29.614 1.00 41.41 N ATOM 214 CA LYS A 16 -55.646 -30.719 30.001 1.00 74.12 C ATOM 215 C LYS A 16 -54.887 -29.434 29.667 1.00 61.11 C ATOM 216 O LYS A 16 -55.349 -28.685 28.807 1.00 23.22 O ATOM 217 CB LYS A 16 -55.043 -31.904 29.233 1.00 32.11 C ATOM 218 CG LYS A 16 -55.131 -33.195 30.055 1.00 30.20 C ATOM 219 CD LYS A 16 -55.621 -34.406 29.247 1.00 10.42 C ATOM 220 CE LYS A 16 -57.104 -34.314 28.834 1.00 64.31 C ATOM 221 NZ LYS A 16 -58.032 -34.303 29.988 1.00 14.41 N ATOM 0 H LYS A 16 -57.147 -30.039 28.752 1.00 41.41 H new ATOM 0 HA LYS A 16 -55.570 -30.902 31.073 1.00 74.12 H new ATOM 0 HB2 LYS A 16 -55.569 -32.034 28.287 1.00 32.11 H new ATOM 0 HB3 LYS A 16 -54.001 -31.693 28.992 1.00 32.11 H new ATOM 0 HG2 LYS A 16 -54.148 -33.419 30.470 1.00 30.20 H new ATOM 0 HG3 LYS A 16 -55.804 -33.034 30.897 1.00 30.20 H new ATOM 0 HD2 LYS A 16 -55.009 -34.506 28.351 1.00 10.42 H new ATOM 0 HD3 LYS A 16 -55.472 -35.310 29.837 1.00 10.42 H new ATOM 0 HE2 LYS A 16 -57.255 -33.409 28.246 1.00 64.31 H new ATOM 0 HE3 LYS A 16 -57.348 -35.158 28.188 1.00 64.31 H new ATOM 0 HZ1 LYS A 16 -59.012 -34.240 29.645 1.00 14.41 H new ATOM 0 HZ2 LYS A 16 -57.913 -35.178 30.537 1.00 14.41 H new ATOM 0 HZ3 LYS A 16 -57.824 -33.483 30.593 1.00 14.41 H new ATOM 235 N PRO A 17 -53.757 -29.173 30.344 1.00 40.53 N ATOM 236 CA PRO A 17 -52.942 -27.996 30.090 1.00 50.24 C ATOM 237 C PRO A 17 -52.180 -28.189 28.770 1.00 74.44 C ATOM 238 O PRO A 17 -52.240 -29.251 28.145 1.00 73.14 O ATOM 239 CB PRO A 17 -51.993 -27.908 31.292 1.00 24.21 C ATOM 240 CG PRO A 17 -51.779 -29.375 31.661 1.00 20.22 C ATOM 241 CD PRO A 17 -53.148 -29.999 31.377 1.00 41.40 C ATOM 0 HA PRO A 17 -53.521 -27.078 29.986 1.00 50.24 H new ATOM 0 HB2 PRO A 17 -51.056 -27.415 31.033 1.00 24.21 H new ATOM 0 HB3 PRO A 17 -52.433 -27.344 32.114 1.00 24.21 H new ATOM 0 HG2 PRO A 17 -50.993 -29.833 31.060 1.00 20.22 H new ATOM 0 HG3 PRO A 17 -51.490 -29.491 32.706 1.00 20.22 H new ATOM 0 HD2 PRO A 17 -53.045 -31.031 31.041 1.00 41.40 H new ATOM 0 HD3 PRO A 17 -53.763 -30.016 32.276 1.00 41.40 H new ATOM 249 N ALA A 18 -51.461 -27.149 28.348 1.00 12.14 N ATOM 250 CA ALA A 18 -50.654 -27.124 27.137 1.00 44.22 C ATOM 251 C ALA A 18 -49.222 -26.723 27.513 1.00 41.43 C ATOM 252 O ALA A 18 -48.893 -26.624 28.697 1.00 41.22 O ATOM 253 CB ALA A 18 -51.299 -26.182 26.112 1.00 62.14 C ATOM 0 H ALA A 18 -51.426 -26.269 28.863 1.00 12.14 H new ATOM 0 HA ALA A 18 -50.607 -28.107 26.668 1.00 44.22 H new ATOM 0 HB1 ALA A 18 -50.695 -26.163 25.205 1.00 62.14 H new ATOM 0 HB2 ALA A 18 -52.302 -26.536 25.873 1.00 62.14 H new ATOM 0 HB3 ALA A 18 -51.359 -25.177 26.529 1.00 62.14 H new ATOM 259 N LEU A 19 -48.357 -26.541 26.516 1.00 65.12 N ATOM 260 CA LEU A 19 -46.957 -26.151 26.677 1.00 21.22 C ATOM 261 C LEU A 19 -46.682 -24.941 25.780 1.00 42.02 C ATOM 262 O LEU A 19 -47.562 -24.497 25.041 1.00 0.43 O ATOM 263 CB LEU A 19 -46.023 -27.332 26.333 1.00 0.22 C ATOM 264 CG LEU A 19 -46.115 -28.538 27.291 1.00 54.31 C ATOM 265 CD1 LEU A 19 -45.246 -29.681 26.755 1.00 52.12 C ATOM 266 CD2 LEU A 19 -45.655 -28.194 28.714 1.00 53.12 C ATOM 0 H LEU A 19 -48.622 -26.666 25.539 1.00 65.12 H new ATOM 0 HA LEU A 19 -46.762 -25.879 27.714 1.00 21.22 H new ATOM 0 HB2 LEU A 19 -46.250 -27.672 25.322 1.00 0.22 H new ATOM 0 HB3 LEU A 19 -44.994 -26.971 26.325 1.00 0.22 H new ATOM 0 HG LEU A 19 -47.163 -28.832 27.340 1.00 54.31 H new ATOM 0 HD11 LEU A 19 -45.310 -30.534 27.431 1.00 52.12 H new ATOM 0 HD12 LEU A 19 -45.599 -29.974 25.766 1.00 52.12 H new ATOM 0 HD13 LEU A 19 -44.210 -29.349 26.686 1.00 52.12 H new ATOM 0 HD21 LEU A 19 -45.740 -29.077 29.347 1.00 53.12 H new ATOM 0 HD22 LEU A 19 -44.617 -27.863 28.691 1.00 53.12 H new ATOM 0 HD23 LEU A 19 -46.281 -27.398 29.116 1.00 53.12 H new ATOM 278 N LEU A 20 -45.467 -24.397 25.865 1.00 52.53 N ATOM 279 CA LEU A 20 -44.989 -23.248 25.110 1.00 0.32 C ATOM 280 C LEU A 20 -43.696 -23.615 24.379 1.00 21.33 C ATOM 281 O LEU A 20 -43.191 -24.729 24.526 1.00 23.21 O ATOM 282 CB LEU A 20 -44.853 -22.021 26.035 1.00 2.35 C ATOM 283 CG LEU A 20 -44.005 -22.175 27.320 1.00 11.23 C ATOM 284 CD1 LEU A 20 -42.509 -22.409 27.073 1.00 35.12 C ATOM 285 CD2 LEU A 20 -44.156 -20.906 28.167 1.00 54.54 C ATOM 0 H LEU A 20 -44.757 -24.768 26.496 1.00 52.53 H new ATOM 0 HA LEU A 20 -45.712 -22.968 24.344 1.00 0.32 H new ATOM 0 HB2 LEU A 20 -44.428 -21.206 25.449 1.00 2.35 H new ATOM 0 HB3 LEU A 20 -45.856 -21.712 26.331 1.00 2.35 H new ATOM 0 HG LEU A 20 -44.382 -23.065 27.824 1.00 11.23 H new ATOM 0 HD11 LEU A 20 -41.993 -22.505 28.028 1.00 35.12 H new ATOM 0 HD12 LEU A 20 -42.374 -23.323 26.494 1.00 35.12 H new ATOM 0 HD13 LEU A 20 -42.095 -21.565 26.521 1.00 35.12 H new ATOM 0 HD21 LEU A 20 -43.562 -21.003 29.076 1.00 54.54 H new ATOM 0 HD22 LEU A 20 -43.809 -20.044 27.597 1.00 54.54 H new ATOM 0 HD23 LEU A 20 -45.204 -20.767 28.431 1.00 54.54 H new ATOM 297 N PHE A 21 -43.176 -22.688 23.576 1.00 21.53 N ATOM 298 CA PHE A 21 -41.953 -22.843 22.797 1.00 21.22 C ATOM 299 C PHE A 21 -40.853 -21.945 23.385 1.00 64.43 C ATOM 300 O PHE A 21 -41.169 -20.930 24.009 1.00 54.41 O ATOM 301 CB PHE A 21 -42.254 -22.509 21.323 1.00 13.33 C ATOM 302 CG PHE A 21 -43.022 -21.217 21.100 1.00 74.40 C ATOM 303 CD1 PHE A 21 -42.347 -19.982 21.071 1.00 23.11 C ATOM 304 CD2 PHE A 21 -44.423 -21.247 20.939 1.00 52.51 C ATOM 305 CE1 PHE A 21 -43.066 -18.787 20.888 1.00 2.42 C ATOM 306 CE2 PHE A 21 -45.140 -20.052 20.757 1.00 55.32 C ATOM 307 CZ PHE A 21 -44.462 -18.821 20.733 1.00 23.50 C ATOM 0 H PHE A 21 -43.613 -21.775 23.447 1.00 21.53 H new ATOM 0 HA PHE A 21 -41.593 -23.871 22.842 1.00 21.22 H new ATOM 0 HB2 PHE A 21 -41.311 -22.452 20.779 1.00 13.33 H new ATOM 0 HB3 PHE A 21 -42.823 -23.331 20.889 1.00 13.33 H new ATOM 0 HD1 PHE A 21 -41.274 -19.952 21.190 1.00 23.11 H new ATOM 0 HD2 PHE A 21 -44.947 -22.191 20.956 1.00 52.51 H new ATOM 0 HE1 PHE A 21 -42.544 -17.842 20.867 1.00 2.42 H new ATOM 0 HE2 PHE A 21 -46.213 -20.080 20.635 1.00 55.32 H new ATOM 0 HZ PHE A 21 -45.013 -17.903 20.596 1.00 23.50 H new ATOM 317 N PRO A 22 -39.566 -22.290 23.202 1.00 23.22 N ATOM 318 CA PRO A 22 -38.455 -21.499 23.718 1.00 34.20 C ATOM 319 C PRO A 22 -38.207 -20.244 22.869 1.00 13.43 C ATOM 320 O PRO A 22 -38.752 -20.085 21.776 1.00 12.14 O ATOM 321 CB PRO A 22 -37.252 -22.447 23.663 1.00 3.11 C ATOM 322 CG PRO A 22 -37.550 -23.301 22.431 1.00 41.34 C ATOM 323 CD PRO A 22 -39.069 -23.461 22.493 1.00 62.51 C ATOM 0 HA PRO A 22 -38.652 -21.132 24.725 1.00 34.20 H new ATOM 0 HB2 PRO A 22 -36.313 -21.903 23.561 1.00 3.11 H new ATOM 0 HB3 PRO A 22 -37.173 -23.053 24.566 1.00 3.11 H new ATOM 0 HG2 PRO A 22 -37.232 -22.810 21.511 1.00 41.34 H new ATOM 0 HG3 PRO A 22 -37.039 -24.263 22.472 1.00 41.34 H new ATOM 0 HD2 PRO A 22 -39.496 -23.522 21.492 1.00 62.51 H new ATOM 0 HD3 PRO A 22 -39.344 -24.378 23.013 1.00 62.51 H new ATOM 331 N GLY A 23 -37.372 -19.346 23.397 1.00 14.12 N ATOM 332 CA GLY A 23 -36.982 -18.103 22.749 1.00 64.24 C ATOM 333 C GLY A 23 -35.678 -18.307 21.975 1.00 11.13 C ATOM 334 O GLY A 23 -35.200 -19.432 21.831 1.00 31.12 O ATOM 0 H GLY A 23 -36.940 -19.472 24.312 1.00 14.12 H new ATOM 0 HA2 GLY A 23 -37.770 -17.773 22.072 1.00 64.24 H new ATOM 0 HA3 GLY A 23 -36.854 -17.318 23.495 1.00 64.24 H new ATOM 338 N MET A 24 -35.110 -17.217 21.457 1.00 2.24 N ATOM 339 CA MET A 24 -33.862 -17.212 20.696 1.00 14.34 C ATOM 340 C MET A 24 -32.901 -16.220 21.349 1.00 50.11 C ATOM 341 O MET A 24 -33.335 -15.319 22.067 1.00 21.42 O ATOM 342 CB MET A 24 -34.136 -16.835 19.230 1.00 70.55 C ATOM 343 CG MET A 24 -34.920 -17.918 18.482 1.00 4.50 C ATOM 344 SD MET A 24 -34.000 -19.460 18.234 1.00 4.53 S ATOM 345 CE MET A 24 -35.355 -20.522 17.670 1.00 12.43 C ATOM 0 H MET A 24 -35.518 -16.288 21.559 1.00 2.24 H new ATOM 0 HA MET A 24 -33.413 -18.205 20.702 1.00 14.34 H new ATOM 0 HB2 MET A 24 -34.694 -15.899 19.197 1.00 70.55 H new ATOM 0 HB3 MET A 24 -33.189 -16.659 18.720 1.00 70.55 H new ATOM 0 HG2 MET A 24 -35.833 -18.137 19.035 1.00 4.50 H new ATOM 0 HG3 MET A 24 -35.222 -17.527 17.510 1.00 4.50 H new ATOM 0 HE1 MET A 24 -34.973 -21.522 17.467 1.00 12.43 H new ATOM 0 HE2 MET A 24 -36.121 -20.576 18.444 1.00 12.43 H new ATOM 0 HE3 MET A 24 -35.788 -20.107 16.760 1.00 12.43 H new ATOM 355 N ALA A 25 -31.601 -16.377 21.089 1.00 1.01 N ATOM 356 CA ALA A 25 -30.537 -15.535 21.621 1.00 12.14 C ATOM 357 C ALA A 25 -29.451 -15.444 20.552 1.00 3.33 C ATOM 358 O ALA A 25 -28.385 -16.054 20.667 1.00 73.10 O ATOM 359 CB ALA A 25 -30.019 -16.114 22.947 1.00 45.12 C ATOM 0 H ALA A 25 -31.253 -17.119 20.482 1.00 1.01 H new ATOM 0 HA ALA A 25 -30.894 -14.531 21.848 1.00 12.14 H new ATOM 0 HB1 ALA A 25 -29.224 -15.478 23.336 1.00 45.12 H new ATOM 0 HB2 ALA A 25 -30.835 -16.158 23.668 1.00 45.12 H new ATOM 0 HB3 ALA A 25 -29.630 -17.118 22.778 1.00 45.12 H new ATOM 365 N ALA A 26 -29.775 -14.772 19.448 1.00 23.14 N ATOM 366 CA ALA A 26 -28.854 -14.585 18.338 1.00 42.34 C ATOM 367 C ALA A 26 -27.764 -13.576 18.723 1.00 32.03 C ATOM 368 O ALA A 26 -27.848 -12.931 19.773 1.00 24.34 O ATOM 369 CB ALA A 26 -29.646 -14.140 17.112 1.00 73.12 C ATOM 0 H ALA A 26 -30.688 -14.342 19.302 1.00 23.14 H new ATOM 0 HA ALA A 26 -28.350 -15.521 18.098 1.00 42.34 H new ATOM 0 HB1 ALA A 26 -28.966 -13.996 16.272 1.00 73.12 H new ATOM 0 HB2 ALA A 26 -30.381 -14.903 16.857 1.00 73.12 H new ATOM 0 HB3 ALA A 26 -30.157 -13.202 17.330 1.00 73.12 H new ATOM 375 N SER A 27 -26.752 -13.419 17.869 1.00 51.23 N ATOM 376 CA SER A 27 -25.632 -12.517 18.096 1.00 72.02 C ATOM 377 C SER A 27 -25.362 -11.646 16.860 1.00 12.32 C ATOM 378 O SER A 27 -26.161 -11.645 15.920 1.00 4.31 O ATOM 379 CB SER A 27 -24.444 -13.377 18.547 1.00 34.33 C ATOM 380 OG SER A 27 -23.458 -12.627 19.230 1.00 33.31 O ATOM 0 H SER A 27 -26.690 -13.926 16.986 1.00 51.23 H new ATOM 0 HA SER A 27 -25.845 -11.794 18.883 1.00 72.02 H new ATOM 0 HB2 SER A 27 -24.804 -14.175 19.197 1.00 34.33 H new ATOM 0 HB3 SER A 27 -23.994 -13.854 17.676 1.00 34.33 H new ATOM 0 HG SER A 27 -22.724 -13.219 19.498 1.00 33.31 H new ATOM 386 N THR A 28 -24.277 -10.870 16.876 1.00 44.02 N ATOM 387 CA THR A 28 -23.866 -9.975 15.799 1.00 4.34 C ATOM 388 C THR A 28 -22.386 -10.206 15.474 1.00 64.54 C ATOM 389 O THR A 28 -21.655 -10.821 16.259 1.00 1.24 O ATOM 390 CB THR A 28 -24.213 -8.526 16.189 1.00 34.43 C ATOM 391 OG1 THR A 28 -24.163 -7.653 15.080 1.00 63.52 O ATOM 392 CG2 THR A 28 -23.319 -7.955 17.293 1.00 22.35 C ATOM 0 H THR A 28 -23.638 -10.849 17.671 1.00 44.02 H new ATOM 0 HA THR A 28 -24.409 -10.184 14.877 1.00 4.34 H new ATOM 0 HB THR A 28 -25.232 -8.587 16.572 1.00 34.43 H new ATOM 0 HG1 THR A 28 -24.391 -6.744 15.368 1.00 63.52 H new ATOM 0 HG21 THR A 28 -23.623 -6.932 17.514 1.00 22.35 H new ATOM 0 HG22 THR A 28 -23.416 -8.565 18.191 1.00 22.35 H new ATOM 0 HG23 THR A 28 -22.281 -7.961 16.960 1.00 22.35 H new ATOM 400 N VAL A 29 -21.957 -9.731 14.303 1.00 31.41 N ATOM 401 CA VAL A 29 -20.596 -9.835 13.780 1.00 74.30 C ATOM 402 C VAL A 29 -19.591 -9.000 14.596 1.00 11.31 C ATOM 403 O VAL A 29 -19.905 -8.477 15.665 1.00 43.13 O ATOM 404 CB VAL A 29 -20.591 -9.510 12.269 1.00 64.13 C ATOM 405 CG1 VAL A 29 -21.394 -10.561 11.493 1.00 14.44 C ATOM 406 CG2 VAL A 29 -21.140 -8.118 11.932 1.00 13.01 C ATOM 0 H VAL A 29 -22.581 -9.239 13.663 1.00 31.41 H new ATOM 0 HA VAL A 29 -20.252 -10.863 13.893 1.00 74.30 H new ATOM 0 HB VAL A 29 -19.543 -9.524 11.971 1.00 64.13 H new ATOM 0 HG11 VAL A 29 -21.381 -10.318 10.431 1.00 14.44 H new ATOM 0 HG12 VAL A 29 -20.949 -11.544 11.646 1.00 14.44 H new ATOM 0 HG13 VAL A 29 -22.424 -10.569 11.850 1.00 14.44 H new ATOM 0 HG21 VAL A 29 -21.104 -7.964 10.854 1.00 13.01 H new ATOM 0 HG22 VAL A 29 -22.172 -8.041 12.275 1.00 13.01 H new ATOM 0 HG23 VAL A 29 -20.535 -7.359 12.427 1.00 13.01 H new ATOM 416 N GLN A 30 -18.352 -8.923 14.110 1.00 61.22 N ATOM 417 CA GLN A 30 -17.236 -8.202 14.701 1.00 60.02 C ATOM 418 C GLN A 30 -16.551 -7.370 13.613 1.00 50.51 C ATOM 419 O GLN A 30 -16.949 -7.399 12.445 1.00 2.35 O ATOM 420 CB GLN A 30 -16.262 -9.224 15.314 1.00 31.03 C ATOM 421 CG GLN A 30 -16.754 -9.809 16.647 1.00 52.42 C ATOM 422 CD GLN A 30 -16.766 -8.764 17.759 1.00 44.43 C ATOM 423 OE1 GLN A 30 -15.922 -7.865 17.800 1.00 63.45 O ATOM 424 NE2 GLN A 30 -17.725 -8.815 18.663 1.00 31.42 N ATOM 0 H GLN A 30 -18.090 -9.391 13.242 1.00 61.22 H new ATOM 0 HA GLN A 30 -17.578 -7.528 15.487 1.00 60.02 H new ATOM 0 HB2 GLN A 30 -16.105 -10.037 14.605 1.00 31.03 H new ATOM 0 HB3 GLN A 30 -15.295 -8.746 15.470 1.00 31.03 H new ATOM 0 HG2 GLN A 30 -17.758 -10.212 16.517 1.00 52.42 H new ATOM 0 HG3 GLN A 30 -16.112 -10.640 16.937 1.00 52.42 H new ATOM 0 HE21 GLN A 30 -18.421 -9.559 18.626 1.00 31.42 H new ATOM 0 HE22 GLN A 30 -17.770 -8.110 19.399 1.00 31.42 H new ATOM 433 N VAL A 31 -15.540 -6.592 13.998 1.00 32.24 N ATOM 434 CA VAL A 31 -14.765 -5.745 13.094 1.00 1.04 C ATOM 435 C VAL A 31 -13.818 -6.591 12.246 1.00 72.42 C ATOM 436 O VAL A 31 -13.683 -7.808 12.448 1.00 45.32 O ATOM 437 CB VAL A 31 -13.988 -4.685 13.897 1.00 54.24 C ATOM 438 CG1 VAL A 31 -14.959 -3.830 14.721 1.00 44.03 C ATOM 439 CG2 VAL A 31 -12.911 -5.301 14.796 1.00 31.14 C ATOM 0 H VAL A 31 -15.231 -6.532 14.968 1.00 32.24 H new ATOM 0 HA VAL A 31 -15.450 -5.231 12.420 1.00 1.04 H new ATOM 0 HB VAL A 31 -13.470 -4.050 13.179 1.00 54.24 H new ATOM 0 HG11 VAL A 31 -14.399 -3.084 15.285 1.00 44.03 H new ATOM 0 HG12 VAL A 31 -15.660 -3.329 14.053 1.00 44.03 H new ATOM 0 HG13 VAL A 31 -15.510 -4.468 15.412 1.00 44.03 H new ATOM 0 HG21 VAL A 31 -12.394 -4.510 15.339 1.00 31.14 H new ATOM 0 HG22 VAL A 31 -13.377 -5.984 15.506 1.00 31.14 H new ATOM 0 HG23 VAL A 31 -12.195 -5.848 14.183 1.00 31.14 H new ATOM 449 N ALA A 32 -13.163 -5.941 11.287 1.00 73.53 N ATOM 450 CA ALA A 32 -12.223 -6.603 10.413 1.00 65.25 C ATOM 451 C ALA A 32 -10.910 -6.904 11.127 1.00 62.11 C ATOM 452 O ALA A 32 -10.610 -6.346 12.180 1.00 5.23 O ATOM 453 CB ALA A 32 -11.961 -5.726 9.186 1.00 65.45 C ATOM 0 H ALA A 32 -13.275 -4.944 11.102 1.00 73.53 H new ATOM 0 HA ALA A 32 -12.658 -7.553 10.103 1.00 65.25 H new ATOM 0 HB1 ALA A 32 -11.252 -6.226 8.526 1.00 65.45 H new ATOM 0 HB2 ALA A 32 -12.896 -5.558 8.652 1.00 65.45 H new ATOM 0 HB3 ALA A 32 -11.548 -4.769 9.504 1.00 65.45 H new ATOM 459 N GLY A 33 -10.125 -7.806 10.545 1.00 41.32 N ATOM 460 CA GLY A 33 -8.824 -8.200 11.057 1.00 31.20 C ATOM 461 C GLY A 33 -7.799 -7.412 10.254 1.00 43.51 C ATOM 462 O GLY A 33 -7.985 -7.225 9.048 1.00 33.20 O ATOM 0 H GLY A 33 -10.385 -8.291 9.686 1.00 41.32 H new ATOM 0 HA2 GLY A 33 -8.740 -7.978 12.121 1.00 31.20 H new ATOM 0 HA3 GLY A 33 -8.668 -9.273 10.942 1.00 31.20 H new ATOM 466 N ARG A 34 -6.731 -6.934 10.888 1.00 10.13 N ATOM 467 CA ARG A 34 -5.684 -6.154 10.232 1.00 24.34 C ATOM 468 C ARG A 34 -4.325 -6.572 10.768 1.00 50.23 C ATOM 469 O ARG A 34 -4.219 -7.341 11.726 1.00 23.42 O ATOM 470 CB ARG A 34 -5.929 -4.654 10.497 1.00 22.41 C ATOM 471 CG ARG A 34 -7.073 -4.103 9.641 1.00 22.34 C ATOM 472 CD ARG A 34 -7.459 -2.680 10.036 1.00 50.10 C ATOM 473 NE ARG A 34 -8.587 -2.233 9.207 1.00 3.20 N ATOM 474 CZ ARG A 34 -9.643 -1.506 9.579 1.00 35.34 C ATOM 475 NH1 ARG A 34 -9.719 -0.960 10.792 1.00 30.41 N ATOM 476 NH2 ARG A 34 -10.631 -1.339 8.712 1.00 2.52 N ATOM 0 H ARG A 34 -6.566 -7.079 11.884 1.00 10.13 H new ATOM 0 HA ARG A 34 -5.705 -6.334 9.157 1.00 24.34 H new ATOM 0 HB2 ARG A 34 -6.160 -4.505 11.552 1.00 22.41 H new ATOM 0 HB3 ARG A 34 -5.017 -4.095 10.288 1.00 22.41 H new ATOM 0 HG2 ARG A 34 -6.779 -4.119 8.592 1.00 22.34 H new ATOM 0 HG3 ARG A 34 -7.942 -4.753 9.738 1.00 22.34 H new ATOM 0 HD2 ARG A 34 -7.732 -2.645 11.091 1.00 50.10 H new ATOM 0 HD3 ARG A 34 -6.609 -2.011 9.904 1.00 50.10 H new ATOM 0 HE ARG A 34 -8.560 -2.513 8.226 1.00 3.20 H new ATOM 0 HH11 ARG A 34 -8.960 -1.093 11.460 1.00 30.41 H new ATOM 0 HH12 ARG A 34 -10.536 -0.409 11.053 1.00 30.41 H new ATOM 0 HH21 ARG A 34 -10.573 -1.762 7.785 1.00 2.52 H new ATOM 0 HH22 ARG A 34 -11.449 -0.788 8.971 1.00 2.52 H new ATOM 490 N LYS A 35 -3.274 -6.046 10.150 1.00 20.44 N ATOM 491 CA LYS A 35 -1.888 -6.273 10.515 1.00 65.52 C ATOM 492 C LYS A 35 -1.077 -5.110 9.959 1.00 5.31 C ATOM 493 O LYS A 35 -1.605 -4.330 9.164 1.00 64.43 O ATOM 494 CB LYS A 35 -1.421 -7.616 9.934 1.00 54.34 C ATOM 495 CG LYS A 35 -0.303 -8.214 10.793 1.00 31.01 C ATOM 496 CD LYS A 35 0.244 -9.493 10.164 1.00 22.34 C ATOM 497 CE LYS A 35 -0.748 -10.656 10.115 1.00 63.15 C ATOM 498 NZ LYS A 35 -1.234 -11.038 11.456 1.00 32.54 N ATOM 0 H LYS A 35 -3.373 -5.424 9.348 1.00 20.44 H new ATOM 0 HA LYS A 35 -1.759 -6.323 11.596 1.00 65.52 H new ATOM 0 HB2 LYS A 35 -2.261 -8.309 9.886 1.00 54.34 H new ATOM 0 HB3 LYS A 35 -1.066 -7.473 8.913 1.00 54.34 H new ATOM 0 HG2 LYS A 35 0.501 -7.487 10.907 1.00 31.01 H new ATOM 0 HG3 LYS A 35 -0.682 -8.429 11.792 1.00 31.01 H new ATOM 0 HD2 LYS A 35 0.573 -9.271 9.149 1.00 22.34 H new ATOM 0 HD3 LYS A 35 1.125 -9.808 10.723 1.00 22.34 H new ATOM 0 HE2 LYS A 35 -1.597 -10.380 9.489 1.00 63.15 H new ATOM 0 HE3 LYS A 35 -0.272 -11.517 9.645 1.00 63.15 H new ATOM 0 HZ1 LYS A 35 -1.794 -11.911 11.386 1.00 32.54 H new ATOM 0 HZ2 LYS A 35 -0.423 -11.197 12.087 1.00 32.54 H new ATOM 0 HZ3 LYS A 35 -1.828 -10.275 11.840 1.00 32.54 H new ATOM 512 N ASP A 36 0.180 -5.016 10.380 1.00 42.30 N ATOM 513 CA ASP A 36 1.174 -4.026 9.988 1.00 5.14 C ATOM 514 C ASP A 36 0.613 -2.618 9.855 1.00 74.43 C ATOM 515 O ASP A 36 0.563 -2.009 8.786 1.00 35.35 O ATOM 516 CB ASP A 36 1.883 -4.473 8.718 1.00 72.42 C ATOM 517 CG ASP A 36 2.897 -5.574 9.005 1.00 53.31 C ATOM 518 OD1 ASP A 36 2.469 -6.710 9.303 1.00 61.31 O ATOM 519 OD2 ASP A 36 4.118 -5.296 9.028 1.00 63.51 O ATOM 0 H ASP A 36 0.558 -5.681 11.055 1.00 42.30 H new ATOM 0 HA ASP A 36 1.900 -3.966 10.798 1.00 5.14 H new ATOM 0 HB2 ASP A 36 1.149 -4.832 7.997 1.00 72.42 H new ATOM 0 HB3 ASP A 36 2.388 -3.621 8.262 1.00 72.42 H new ATOM 524 N TYR A 37 0.193 -2.097 10.992 1.00 74.02 N ATOM 525 CA TYR A 37 -0.378 -0.768 11.126 1.00 24.24 C ATOM 526 C TYR A 37 0.698 0.316 10.968 1.00 0.24 C ATOM 527 O TYR A 37 0.590 1.118 10.041 1.00 33.31 O ATOM 528 CB TYR A 37 -1.159 -0.670 12.448 1.00 64.13 C ATOM 529 CG TYR A 37 -1.580 -2.008 13.025 1.00 22.41 C ATOM 530 CD1 TYR A 37 -2.388 -2.854 12.248 1.00 32.03 C ATOM 531 CD2 TYR A 37 -1.097 -2.448 14.272 1.00 64.40 C ATOM 532 CE1 TYR A 37 -2.852 -4.056 12.793 1.00 41.33 C ATOM 533 CE2 TYR A 37 -1.481 -3.705 14.777 1.00 60.31 C ATOM 534 CZ TYR A 37 -2.384 -4.508 14.038 1.00 44.30 C ATOM 535 OH TYR A 37 -2.809 -5.722 14.477 1.00 31.45 O ATOM 0 H TYR A 37 0.241 -2.602 11.877 1.00 74.02 H new ATOM 0 HA TYR A 37 -1.090 -0.592 10.320 1.00 24.24 H new ATOM 0 HB2 TYR A 37 -0.544 -0.148 13.182 1.00 64.13 H new ATOM 0 HB3 TYR A 37 -2.049 -0.061 12.287 1.00 64.13 H new ATOM 0 HD1 TYR A 37 -2.649 -2.579 11.237 1.00 32.03 H new ATOM 0 HD2 TYR A 37 -0.430 -1.819 14.843 1.00 64.40 H new ATOM 0 HE1 TYR A 37 -3.578 -4.643 12.250 1.00 41.33 H new ATOM 0 HE2 TYR A 37 -1.090 -4.054 15.721 1.00 60.31 H new ATOM 0 HH TYR A 37 -2.408 -5.913 15.351 1.00 31.45 H new ATOM 545 N PRO A 38 1.751 0.354 11.808 1.00 21.50 N ATOM 546 CA PRO A 38 2.782 1.379 11.711 1.00 70.04 C ATOM 547 C PRO A 38 3.771 1.213 10.555 1.00 21.41 C ATOM 548 O PRO A 38 4.043 0.107 10.081 1.00 63.34 O ATOM 549 CB PRO A 38 3.541 1.279 13.032 1.00 60.11 C ATOM 550 CG PRO A 38 3.447 -0.206 13.359 1.00 22.43 C ATOM 551 CD PRO A 38 2.021 -0.515 12.947 1.00 4.15 C ATOM 0 HA PRO A 38 2.305 2.340 11.518 1.00 70.04 H new ATOM 0 HB2 PRO A 38 4.576 1.607 12.931 1.00 60.11 H new ATOM 0 HB3 PRO A 38 3.086 1.894 13.808 1.00 60.11 H new ATOM 0 HG2 PRO A 38 4.173 -0.796 12.800 1.00 22.43 H new ATOM 0 HG3 PRO A 38 3.621 -0.405 14.416 1.00 22.43 H new ATOM 0 HD2 PRO A 38 1.909 -1.565 12.676 1.00 4.15 H new ATOM 0 HD3 PRO A 38 1.325 -0.321 13.763 1.00 4.15 H new ATOM 559 N ALA A 39 4.379 2.343 10.187 1.00 62.22 N ATOM 560 CA ALA A 39 5.388 2.459 9.146 1.00 32.33 C ATOM 561 C ALA A 39 6.688 1.791 9.618 1.00 13.42 C ATOM 562 O ALA A 39 6.823 1.391 10.785 1.00 13.31 O ATOM 563 CB ALA A 39 5.607 3.941 8.805 1.00 20.14 C ATOM 0 H ALA A 39 4.168 3.238 10.629 1.00 62.22 H new ATOM 0 HA ALA A 39 5.055 1.951 8.241 1.00 32.33 H new ATOM 0 HB1 ALA A 39 6.363 4.027 8.025 1.00 20.14 H new ATOM 0 HB2 ALA A 39 4.671 4.375 8.453 1.00 20.14 H new ATOM 0 HB3 ALA A 39 5.942 4.474 9.695 1.00 20.14 H new ATOM 569 N LEU A 40 7.677 1.777 8.724 1.00 12.43 N ATOM 570 CA LEU A 40 9.003 1.208 8.846 1.00 35.42 C ATOM 571 C LEU A 40 8.876 -0.283 9.144 1.00 55.42 C ATOM 572 O LEU A 40 9.489 -0.789 10.086 1.00 30.34 O ATOM 573 CB LEU A 40 9.839 1.988 9.860 1.00 63.30 C ATOM 574 CG LEU A 40 9.977 3.501 9.601 1.00 33.21 C ATOM 575 CD1 LEU A 40 10.946 4.120 10.614 1.00 54.21 C ATOM 576 CD2 LEU A 40 10.506 3.809 8.202 1.00 71.35 C ATOM 0 H LEU A 40 7.548 2.209 7.809 1.00 12.43 H new ATOM 0 HA LEU A 40 9.550 1.297 7.908 1.00 35.42 H new ATOM 0 HB2 LEU A 40 9.400 1.847 10.848 1.00 63.30 H new ATOM 0 HB3 LEU A 40 10.838 1.552 9.890 1.00 63.30 H new ATOM 0 HG LEU A 40 8.977 3.924 9.699 1.00 33.21 H new ATOM 0 HD11 LEU A 40 11.037 5.189 10.423 1.00 54.21 H new ATOM 0 HD12 LEU A 40 10.567 3.962 11.624 1.00 54.21 H new ATOM 0 HD13 LEU A 40 11.924 3.649 10.516 1.00 54.21 H new ATOM 0 HD21 LEU A 40 10.584 4.888 8.072 1.00 71.35 H new ATOM 0 HD22 LEU A 40 11.490 3.356 8.077 1.00 71.35 H new ATOM 0 HD23 LEU A 40 9.822 3.402 7.457 1.00 71.35 H new ATOM 588 N LEU A 41 8.047 -0.960 8.346 1.00 32.44 N ATOM 589 CA LEU A 41 7.757 -2.395 8.438 1.00 44.34 C ATOM 590 C LEU A 41 9.053 -3.220 8.536 1.00 41.23 C ATOM 591 O LEU A 41 10.063 -2.819 7.949 1.00 20.11 O ATOM 592 CB LEU A 41 6.829 -2.825 7.284 1.00 30.20 C ATOM 593 CG LEU A 41 7.405 -2.715 5.853 1.00 54.02 C ATOM 594 CD1 LEU A 41 8.172 -3.966 5.413 1.00 75.31 C ATOM 595 CD2 LEU A 41 6.269 -2.508 4.845 1.00 34.44 C ATOM 0 H LEU A 41 7.538 -0.506 7.587 1.00 32.44 H new ATOM 0 HA LEU A 41 7.216 -2.597 9.362 1.00 44.34 H new ATOM 0 HB2 LEU A 41 6.533 -3.860 7.453 1.00 30.20 H new ATOM 0 HB3 LEU A 41 5.922 -2.222 7.333 1.00 30.20 H new ATOM 0 HG LEU A 41 8.093 -1.870 5.875 1.00 54.02 H new ATOM 0 HD11 LEU A 41 8.550 -3.824 4.401 1.00 75.31 H new ATOM 0 HD12 LEU A 41 9.008 -4.138 6.091 1.00 75.31 H new ATOM 0 HD13 LEU A 41 7.505 -4.828 5.433 1.00 75.31 H new ATOM 0 HD21 LEU A 41 6.684 -2.432 3.840 1.00 34.44 H new ATOM 0 HD22 LEU A 41 5.583 -3.354 4.891 1.00 34.44 H new ATOM 0 HD23 LEU A 41 5.731 -1.591 5.086 1.00 34.44 H new ATOM 607 N PRO A 42 9.070 -4.337 9.290 1.00 63.25 N ATOM 608 CA PRO A 42 10.254 -5.176 9.460 1.00 33.32 C ATOM 609 C PRO A 42 10.612 -5.916 8.171 1.00 40.42 C ATOM 610 O PRO A 42 9.759 -6.097 7.304 1.00 64.12 O ATOM 611 CB PRO A 42 9.911 -6.139 10.598 1.00 12.53 C ATOM 612 CG PRO A 42 8.397 -6.280 10.490 1.00 42.41 C ATOM 613 CD PRO A 42 7.943 -4.900 10.013 1.00 31.43 C ATOM 0 HA PRO A 42 11.136 -4.582 9.698 1.00 33.32 H new ATOM 0 HB2 PRO A 42 10.414 -7.098 10.479 1.00 12.53 H new ATOM 0 HB3 PRO A 42 10.210 -5.740 11.567 1.00 12.53 H new ATOM 0 HG2 PRO A 42 8.116 -7.061 9.784 1.00 42.41 H new ATOM 0 HG3 PRO A 42 7.949 -6.541 11.449 1.00 42.41 H new ATOM 0 HD2 PRO A 42 7.066 -4.978 9.370 1.00 31.43 H new ATOM 0 HD3 PRO A 42 7.665 -4.268 10.856 1.00 31.43 H new ATOM 621 N LEU A 43 11.864 -6.359 8.045 1.00 43.23 N ATOM 622 CA LEU A 43 12.341 -7.076 6.872 1.00 2.12 C ATOM 623 C LEU A 43 13.194 -8.248 7.300 1.00 24.14 C ATOM 624 O LEU A 43 14.221 -8.034 7.953 1.00 12.03 O ATOM 625 CB LEU A 43 13.222 -6.180 5.987 1.00 51.13 C ATOM 626 CG LEU A 43 12.516 -5.085 5.188 1.00 0.41 C ATOM 627 CD1 LEU A 43 13.577 -4.468 4.265 1.00 13.34 C ATOM 628 CD2 LEU A 43 11.352 -5.574 4.335 1.00 73.14 C ATOM 0 H LEU A 43 12.577 -6.227 8.762 1.00 43.23 H new ATOM 0 HA LEU A 43 11.463 -7.402 6.315 1.00 2.12 H new ATOM 0 HB2 LEU A 43 13.970 -5.707 6.623 1.00 51.13 H new ATOM 0 HB3 LEU A 43 13.758 -6.819 5.285 1.00 51.13 H new ATOM 0 HG LEU A 43 12.084 -4.379 5.897 1.00 0.41 H new ATOM 0 HD11 LEU A 43 13.124 -3.676 3.668 1.00 13.34 H new ATOM 0 HD12 LEU A 43 14.385 -4.052 4.867 1.00 13.34 H new ATOM 0 HD13 LEU A 43 13.976 -5.237 3.604 1.00 13.34 H new ATOM 0 HD21 LEU A 43 10.911 -4.731 3.804 1.00 73.14 H new ATOM 0 HD22 LEU A 43 11.712 -6.309 3.615 1.00 73.14 H new ATOM 0 HD23 LEU A 43 10.599 -6.033 4.976 1.00 73.14 H new ATOM 640 N ASN A 44 12.803 -9.452 6.882 1.00 51.33 N ATOM 641 CA ASN A 44 13.537 -10.672 7.190 1.00 73.31 C ATOM 642 C ASN A 44 14.859 -10.592 6.441 1.00 71.24 C ATOM 643 O ASN A 44 14.897 -10.814 5.232 1.00 55.22 O ATOM 644 CB ASN A 44 12.761 -11.927 6.771 1.00 73.44 C ATOM 645 CG ASN A 44 13.449 -13.189 7.298 1.00 23.15 C ATOM 646 OD1 ASN A 44 14.122 -13.157 8.323 1.00 4.43 O ATOM 647 ND2 ASN A 44 13.285 -14.340 6.673 1.00 12.41 N ATOM 0 H ASN A 44 11.966 -9.605 6.319 1.00 51.33 H new ATOM 0 HA ASN A 44 13.692 -10.751 8.266 1.00 73.31 H new ATOM 0 HB2 ASN A 44 11.742 -11.875 7.154 1.00 73.44 H new ATOM 0 HB3 ASN A 44 12.691 -11.972 5.684 1.00 73.44 H new ATOM 0 HD21 ASN A 44 13.715 -15.187 7.044 1.00 12.41 H new ATOM 0 HD22 ASN A 44 12.728 -14.382 5.820 1.00 12.41 H new ATOM 654 N GLU A 45 15.937 -10.254 7.138 1.00 31.54 N ATOM 655 CA GLU A 45 17.266 -10.109 6.557 1.00 61.11 C ATOM 656 C GLU A 45 17.736 -11.382 5.857 1.00 2.30 C ATOM 657 O GLU A 45 18.447 -11.301 4.855 1.00 0.00 O ATOM 658 CB GLU A 45 18.293 -9.617 7.591 1.00 31.44 C ATOM 659 CG GLU A 45 18.235 -10.241 8.993 1.00 31.02 C ATOM 660 CD GLU A 45 17.117 -9.620 9.843 1.00 4.21 C ATOM 661 OE1 GLU A 45 17.289 -8.479 10.327 1.00 44.31 O ATOM 662 OE2 GLU A 45 16.061 -10.275 10.001 1.00 72.53 O ATOM 0 H GLU A 45 15.912 -10.070 8.141 1.00 31.54 H new ATOM 0 HA GLU A 45 17.186 -9.340 5.789 1.00 61.11 H new ATOM 0 HB2 GLU A 45 19.290 -9.791 7.185 1.00 31.44 H new ATOM 0 HB3 GLU A 45 18.175 -8.539 7.697 1.00 31.44 H new ATOM 0 HG2 GLU A 45 18.073 -11.315 8.907 1.00 31.02 H new ATOM 0 HG3 GLU A 45 19.193 -10.102 9.494 1.00 31.02 H new ATOM 669 N SER A 46 17.320 -12.546 6.343 1.00 42.52 N ATOM 670 CA SER A 46 17.686 -13.835 5.777 1.00 62.24 C ATOM 671 C SER A 46 16.895 -14.169 4.505 1.00 43.32 C ATOM 672 O SER A 46 17.195 -15.166 3.853 1.00 43.31 O ATOM 673 CB SER A 46 17.495 -14.885 6.868 1.00 40.23 C ATOM 674 OG SER A 46 18.269 -14.470 7.987 1.00 11.33 O ATOM 0 H SER A 46 16.708 -12.619 7.156 1.00 42.52 H new ATOM 0 HA SER A 46 18.727 -13.812 5.456 1.00 62.24 H new ATOM 0 HB2 SER A 46 16.443 -14.973 7.139 1.00 40.23 H new ATOM 0 HB3 SER A 46 17.817 -15.866 6.519 1.00 40.23 H new ATOM 0 HG SER A 46 18.170 -15.121 8.713 1.00 11.33 H new ATOM 680 N GLU A 47 15.910 -13.351 4.139 1.00 31.44 N ATOM 681 CA GLU A 47 15.072 -13.519 2.957 1.00 62.40 C ATOM 682 C GLU A 47 15.562 -12.609 1.822 1.00 44.14 C ATOM 683 O GLU A 47 14.889 -12.453 0.800 1.00 34.41 O ATOM 684 CB GLU A 47 13.639 -13.160 3.369 1.00 35.41 C ATOM 685 CG GLU A 47 12.550 -13.929 2.628 1.00 53.21 C ATOM 686 CD GLU A 47 12.286 -15.304 3.251 1.00 71.31 C ATOM 687 OE1 GLU A 47 11.902 -15.375 4.447 1.00 62.33 O ATOM 688 OE2 GLU A 47 12.350 -16.309 2.509 1.00 14.34 O ATOM 0 H GLU A 47 15.666 -12.521 4.680 1.00 31.44 H new ATOM 0 HA GLU A 47 15.116 -14.544 2.588 1.00 62.40 H new ATOM 0 HB2 GLU A 47 13.527 -13.339 4.438 1.00 35.41 H new ATOM 0 HB3 GLU A 47 13.486 -12.093 3.207 1.00 35.41 H new ATOM 0 HG2 GLU A 47 11.629 -13.347 2.633 1.00 53.21 H new ATOM 0 HG3 GLU A 47 12.842 -14.054 1.585 1.00 53.21 H new ATOM 695 N LEU A 48 16.709 -11.950 2.020 1.00 13.41 N ATOM 696 CA LEU A 48 17.307 -11.032 1.068 1.00 75.34 C ATOM 697 C LEU A 48 18.585 -11.627 0.484 1.00 1.14 C ATOM 698 O LEU A 48 19.162 -12.583 1.017 1.00 71.45 O ATOM 699 CB LEU A 48 17.628 -9.674 1.734 1.00 1.13 C ATOM 700 CG LEU A 48 16.636 -9.125 2.782 1.00 42.54 C ATOM 701 CD1 LEU A 48 17.132 -7.751 3.254 1.00 12.13 C ATOM 702 CD2 LEU A 48 15.187 -9.000 2.307 1.00 11.12 C ATOM 0 H LEU A 48 17.256 -12.050 2.875 1.00 13.41 H new ATOM 0 HA LEU A 48 16.586 -10.868 0.267 1.00 75.34 H new ATOM 0 HB2 LEU A 48 18.604 -9.759 2.212 1.00 1.13 H new ATOM 0 HB3 LEU A 48 17.724 -8.930 0.944 1.00 1.13 H new ATOM 0 HG LEU A 48 16.614 -9.859 3.588 1.00 42.54 H new ATOM 0 HD11 LEU A 48 16.441 -7.350 3.995 1.00 12.13 H new ATOM 0 HD12 LEU A 48 18.122 -7.855 3.699 1.00 12.13 H new ATOM 0 HD13 LEU A 48 17.186 -7.072 2.403 1.00 12.13 H new ATOM 0 HD21 LEU A 48 14.572 -8.606 3.116 1.00 11.12 H new ATOM 0 HD22 LEU A 48 15.141 -8.324 1.453 1.00 11.12 H new ATOM 0 HD23 LEU A 48 14.815 -9.981 2.013 1.00 11.12 H new ATOM 714 N GLU A 49 19.046 -11.040 -0.612 1.00 65.35 N ATOM 715 CA GLU A 49 20.255 -11.393 -1.335 1.00 34.23 C ATOM 716 C GLU A 49 21.111 -10.129 -1.323 1.00 22.34 C ATOM 717 O GLU A 49 20.615 -9.022 -1.559 1.00 13.50 O ATOM 718 CB GLU A 49 19.979 -11.964 -2.741 1.00 64.14 C ATOM 719 CG GLU A 49 19.555 -10.929 -3.792 1.00 54.13 C ATOM 720 CD GLU A 49 19.402 -11.512 -5.197 1.00 65.15 C ATOM 721 OE1 GLU A 49 20.360 -12.130 -5.725 1.00 12.12 O ATOM 722 OE2 GLU A 49 18.394 -11.179 -5.850 1.00 12.42 O ATOM 0 H GLU A 49 18.554 -10.258 -1.044 1.00 65.35 H new ATOM 0 HA GLU A 49 20.785 -12.217 -0.858 1.00 34.23 H new ATOM 0 HB2 GLU A 49 20.878 -12.470 -3.094 1.00 64.14 H new ATOM 0 HB3 GLU A 49 19.198 -12.720 -2.662 1.00 64.14 H new ATOM 0 HG2 GLU A 49 18.609 -10.482 -3.488 1.00 54.13 H new ATOM 0 HG3 GLU A 49 20.293 -10.127 -3.819 1.00 54.13 H new ATOM 729 N GLU A 50 22.404 -10.292 -1.091 1.00 24.00 N ATOM 730 CA GLU A 50 23.392 -9.231 -1.002 1.00 11.23 C ATOM 731 C GLU A 50 24.523 -9.462 -1.998 1.00 72.14 C ATOM 732 O GLU A 50 24.763 -10.602 -2.398 1.00 54.04 O ATOM 733 CB GLU A 50 23.891 -9.181 0.451 1.00 3.51 C ATOM 734 CG GLU A 50 24.818 -10.325 0.913 1.00 64.43 C ATOM 735 CD GLU A 50 24.257 -11.749 0.777 1.00 1.20 C ATOM 736 OE1 GLU A 50 23.067 -11.979 1.077 1.00 23.40 O ATOM 737 OE2 GLU A 50 25.021 -12.660 0.388 1.00 24.14 O ATOM 0 H GLU A 50 22.813 -11.216 -0.953 1.00 24.00 H new ATOM 0 HA GLU A 50 22.954 -8.268 -1.264 1.00 11.23 H new ATOM 0 HB2 GLU A 50 24.418 -8.238 0.596 1.00 3.51 H new ATOM 0 HB3 GLU A 50 23.021 -9.164 1.108 1.00 3.51 H new ATOM 0 HG2 GLU A 50 25.745 -10.266 0.343 1.00 64.43 H new ATOM 0 HG3 GLU A 50 25.075 -10.156 1.959 1.00 64.43 H new ATOM 744 N GLN A 51 25.212 -8.397 -2.408 1.00 34.44 N ATOM 745 CA GLN A 51 26.327 -8.453 -3.352 1.00 70.03 C ATOM 746 C GLN A 51 27.512 -7.684 -2.763 1.00 5.14 C ATOM 747 O GLN A 51 27.421 -7.111 -1.674 1.00 12.41 O ATOM 748 CB GLN A 51 25.947 -7.848 -4.715 1.00 45.14 C ATOM 749 CG GLN A 51 24.673 -8.382 -5.382 1.00 73.14 C ATOM 750 CD GLN A 51 24.426 -7.700 -6.731 1.00 4.01 C ATOM 751 OE1 GLN A 51 24.810 -6.552 -6.953 1.00 71.11 O ATOM 752 NE2 GLN A 51 23.800 -8.382 -7.674 1.00 14.41 N ATOM 0 H GLN A 51 25.006 -7.451 -2.086 1.00 34.44 H new ATOM 0 HA GLN A 51 26.590 -9.498 -3.514 1.00 70.03 H new ATOM 0 HB2 GLN A 51 25.838 -6.771 -4.589 1.00 45.14 H new ATOM 0 HB3 GLN A 51 26.780 -8.006 -5.400 1.00 45.14 H new ATOM 0 HG2 GLN A 51 24.759 -9.459 -5.526 1.00 73.14 H new ATOM 0 HG3 GLN A 51 23.819 -8.216 -4.726 1.00 73.14 H new ATOM 0 HE21 GLN A 51 23.482 -9.333 -7.489 1.00 14.41 H new ATOM 0 HE22 GLN A 51 23.635 -7.957 -8.586 1.00 14.41 H new ATOM 761 N PHE A 52 28.620 -7.668 -3.501 1.00 54.42 N ATOM 762 CA PHE A 52 29.871 -7.011 -3.166 1.00 60.13 C ATOM 763 C PHE A 52 30.361 -6.281 -4.419 1.00 52.15 C ATOM 764 O PHE A 52 29.874 -6.559 -5.520 1.00 75.02 O ATOM 765 CB PHE A 52 30.897 -8.073 -2.727 1.00 41.34 C ATOM 766 CG PHE A 52 30.397 -9.046 -1.672 1.00 22.43 C ATOM 767 CD1 PHE A 52 29.696 -10.208 -2.056 1.00 54.13 C ATOM 768 CD2 PHE A 52 30.605 -8.782 -0.306 1.00 2.21 C ATOM 769 CE1 PHE A 52 29.176 -11.074 -1.078 1.00 2.11 C ATOM 770 CE2 PHE A 52 30.105 -9.663 0.670 1.00 41.44 C ATOM 771 CZ PHE A 52 29.388 -10.808 0.284 1.00 54.25 C ATOM 0 H PHE A 52 28.666 -8.144 -4.402 1.00 54.42 H new ATOM 0 HA PHE A 52 29.738 -6.301 -2.350 1.00 60.13 H new ATOM 0 HB2 PHE A 52 31.210 -8.640 -3.604 1.00 41.34 H new ATOM 0 HB3 PHE A 52 31.782 -7.566 -2.343 1.00 41.34 H new ATOM 0 HD1 PHE A 52 29.558 -10.433 -3.103 1.00 54.13 H new ATOM 0 HD2 PHE A 52 31.151 -7.900 -0.006 1.00 2.21 H new ATOM 0 HE1 PHE A 52 28.612 -11.946 -1.375 1.00 2.11 H new ATOM 0 HE2 PHE A 52 30.272 -9.459 1.717 1.00 41.44 H new ATOM 0 HZ PHE A 52 29.001 -11.482 1.034 1.00 54.25 H new ATOM 781 N VAL A 53 31.298 -5.345 -4.270 1.00 33.04 N ATOM 782 CA VAL A 53 31.880 -4.598 -5.377 1.00 24.42 C ATOM 783 C VAL A 53 33.346 -5.037 -5.393 1.00 51.21 C ATOM 784 O VAL A 53 33.984 -5.120 -4.342 1.00 14.33 O ATOM 785 CB VAL A 53 31.670 -3.083 -5.192 1.00 2.13 C ATOM 786 CG1 VAL A 53 32.291 -2.281 -6.348 1.00 14.41 C ATOM 787 CG2 VAL A 53 30.171 -2.737 -5.120 1.00 64.35 C ATOM 0 H VAL A 53 31.678 -5.083 -3.360 1.00 33.04 H new ATOM 0 HA VAL A 53 31.412 -4.802 -6.340 1.00 24.42 H new ATOM 0 HB VAL A 53 32.161 -2.814 -4.257 1.00 2.13 H new ATOM 0 HG11 VAL A 53 32.123 -1.217 -6.184 1.00 14.41 H new ATOM 0 HG12 VAL A 53 33.362 -2.477 -6.393 1.00 14.41 H new ATOM 0 HG13 VAL A 53 31.828 -2.580 -7.288 1.00 14.41 H new ATOM 0 HG21 VAL A 53 30.052 -1.661 -4.989 1.00 64.35 H new ATOM 0 HG22 VAL A 53 29.681 -3.047 -6.043 1.00 64.35 H new ATOM 0 HG23 VAL A 53 29.718 -3.258 -4.276 1.00 64.35 H new ATOM 797 N LYS A 54 33.887 -5.367 -6.567 1.00 53.23 N ATOM 798 CA LYS A 54 35.257 -5.820 -6.731 1.00 42.45 C ATOM 799 C LYS A 54 35.823 -5.153 -7.978 1.00 44.03 C ATOM 800 O LYS A 54 35.083 -4.915 -8.929 1.00 54.35 O ATOM 801 CB LYS A 54 35.197 -7.353 -6.850 1.00 41.21 C ATOM 802 CG LYS A 54 36.547 -8.073 -6.901 1.00 33.42 C ATOM 803 CD LYS A 54 37.354 -7.923 -5.599 1.00 74.21 C ATOM 804 CE LYS A 54 38.565 -8.866 -5.551 1.00 2.14 C ATOM 805 NZ LYS A 54 38.177 -10.289 -5.384 1.00 2.35 N ATOM 0 H LYS A 54 33.369 -5.324 -7.445 1.00 53.23 H new ATOM 0 HA LYS A 54 35.908 -5.557 -5.897 1.00 42.45 H new ATOM 0 HB2 LYS A 54 34.631 -7.742 -6.003 1.00 41.21 H new ATOM 0 HB3 LYS A 54 34.638 -7.607 -7.750 1.00 41.21 H new ATOM 0 HG2 LYS A 54 36.381 -9.132 -7.100 1.00 33.42 H new ATOM 0 HG3 LYS A 54 37.132 -7.680 -7.733 1.00 33.42 H new ATOM 0 HD2 LYS A 54 37.695 -6.892 -5.503 1.00 74.21 H new ATOM 0 HD3 LYS A 54 36.705 -8.125 -4.747 1.00 74.21 H new ATOM 0 HE2 LYS A 54 39.142 -8.756 -6.469 1.00 2.14 H new ATOM 0 HE3 LYS A 54 39.217 -8.572 -4.728 1.00 2.14 H new ATOM 0 HZ1 LYS A 54 39.028 -10.864 -5.222 1.00 2.35 H new ATOM 0 HZ2 LYS A 54 37.537 -10.381 -4.570 1.00 2.35 H new ATOM 0 HZ3 LYS A 54 37.694 -10.620 -6.243 1.00 2.35 H new ATOM 819 N GLY A 55 37.142 -4.973 -8.014 1.00 64.44 N ATOM 820 CA GLY A 55 37.829 -4.338 -9.127 1.00 74.05 C ATOM 821 C GLY A 55 37.928 -2.837 -8.872 1.00 1.22 C ATOM 822 O GLY A 55 37.598 -2.359 -7.788 1.00 41.21 O ATOM 0 H GLY A 55 37.766 -5.268 -7.263 1.00 64.44 H new ATOM 0 HA2 GLY A 55 38.825 -4.764 -9.245 1.00 74.05 H new ATOM 0 HA3 GLY A 55 37.290 -4.525 -10.056 1.00 74.05 H new ATOM 826 N HIS A 56 38.450 -2.112 -9.854 1.00 24.34 N ATOM 827 CA HIS A 56 38.637 -0.672 -9.851 1.00 44.33 C ATOM 828 C HIS A 56 38.336 -0.291 -11.300 1.00 73.13 C ATOM 829 O HIS A 56 38.906 -0.901 -12.204 1.00 12.12 O ATOM 830 CB HIS A 56 40.074 -0.350 -9.401 1.00 30.40 C ATOM 831 CG HIS A 56 40.385 1.107 -9.147 1.00 42.52 C ATOM 832 ND1 HIS A 56 41.647 1.664 -9.162 1.00 33.12 N ATOM 833 CD2 HIS A 56 39.510 2.090 -8.755 1.00 4.44 C ATOM 834 CE1 HIS A 56 41.532 2.952 -8.798 1.00 71.35 C ATOM 835 NE2 HIS A 56 40.251 3.255 -8.541 1.00 14.22 N ATOM 0 H HIS A 56 38.771 -2.541 -10.722 1.00 24.34 H new ATOM 0 HA HIS A 56 38.002 -0.114 -9.163 1.00 44.33 H new ATOM 0 HB2 HIS A 56 40.280 -0.908 -8.488 1.00 30.40 H new ATOM 0 HB3 HIS A 56 40.762 -0.719 -10.162 1.00 30.40 H new ATOM 0 HD2 HIS A 56 38.442 1.982 -8.634 1.00 4.44 H new ATOM 0 HE1 HIS A 56 42.356 3.646 -8.723 1.00 71.35 H new ATOM 0 HE2 HIS A 56 39.888 4.161 -8.246 1.00 14.22 H new ATOM 843 N GLY A 57 37.394 0.622 -11.537 1.00 31.24 N ATOM 844 CA GLY A 57 37.018 1.026 -12.882 1.00 63.44 C ATOM 845 C GLY A 57 36.317 2.386 -12.887 1.00 34.45 C ATOM 846 O GLY A 57 36.220 3.028 -11.837 1.00 43.42 O ATOM 0 H GLY A 57 36.874 1.099 -10.800 1.00 31.24 H new ATOM 0 HA2 GLY A 57 37.907 1.072 -13.510 1.00 63.44 H new ATOM 0 HA3 GLY A 57 36.359 0.275 -13.317 1.00 63.44 H new ATOM 850 N PRO A 58 35.845 2.837 -14.064 1.00 53.42 N ATOM 851 CA PRO A 58 35.162 4.115 -14.215 1.00 42.11 C ATOM 852 C PRO A 58 33.809 4.126 -13.487 1.00 71.21 C ATOM 853 O PRO A 58 33.363 3.121 -12.933 1.00 13.21 O ATOM 854 CB PRO A 58 35.046 4.330 -15.729 1.00 64.10 C ATOM 855 CG PRO A 58 34.993 2.910 -16.287 1.00 12.52 C ATOM 856 CD PRO A 58 35.915 2.140 -15.341 1.00 32.42 C ATOM 0 HA PRO A 58 35.711 4.936 -13.754 1.00 42.11 H new ATOM 0 HB2 PRO A 58 34.151 4.896 -15.987 1.00 64.10 H new ATOM 0 HB3 PRO A 58 35.898 4.884 -16.122 1.00 64.10 H new ATOM 0 HG2 PRO A 58 33.979 2.510 -16.279 1.00 12.52 H new ATOM 0 HG3 PRO A 58 35.344 2.867 -17.318 1.00 12.52 H new ATOM 0 HD2 PRO A 58 35.593 1.104 -15.239 1.00 32.42 H new ATOM 0 HD3 PRO A 58 36.937 2.121 -15.720 1.00 32.42 H new ATOM 864 N GLY A 59 33.134 5.279 -13.490 1.00 55.33 N ATOM 865 CA GLY A 59 31.846 5.454 -12.827 1.00 42.12 C ATOM 866 C GLY A 59 32.120 5.770 -11.363 1.00 44.30 C ATOM 867 O GLY A 59 31.849 6.878 -10.906 1.00 24.52 O ATOM 0 H GLY A 59 33.471 6.121 -13.957 1.00 55.33 H new ATOM 0 HA2 GLY A 59 31.282 6.261 -13.294 1.00 42.12 H new ATOM 0 HA3 GLY A 59 31.243 4.550 -12.917 1.00 42.12 H new ATOM 871 N GLY A 60 32.722 4.826 -10.633 1.00 4.11 N ATOM 872 CA GLY A 60 33.075 4.999 -9.225 1.00 34.51 C ATOM 873 C GLY A 60 34.210 6.015 -9.032 1.00 1.42 C ATOM 874 O GLY A 60 34.561 6.342 -7.900 1.00 43.21 O ATOM 0 H GLY A 60 32.979 3.913 -11.008 1.00 4.11 H new ATOM 0 HA2 GLY A 60 32.197 5.328 -8.670 1.00 34.51 H new ATOM 0 HA3 GLY A 60 33.375 4.038 -8.807 1.00 34.51 H new ATOM 878 N GLN A 61 34.770 6.532 -10.128 1.00 32.33 N ATOM 879 CA GLN A 61 35.846 7.508 -10.211 1.00 1.33 C ATOM 880 C GLN A 61 35.503 8.847 -9.532 1.00 51.43 C ATOM 881 O GLN A 61 36.406 9.662 -9.343 1.00 52.13 O ATOM 882 CB GLN A 61 36.158 7.683 -11.714 1.00 30.11 C ATOM 883 CG GLN A 61 37.321 8.620 -12.083 1.00 2.01 C ATOM 884 CD GLN A 61 38.644 8.194 -11.450 1.00 60.24 C ATOM 885 OE1 GLN A 61 39.419 7.456 -12.039 1.00 31.30 O ATOM 886 NE2 GLN A 61 38.920 8.635 -10.235 1.00 2.25 N ATOM 0 H GLN A 61 34.452 6.251 -11.055 1.00 32.33 H new ATOM 0 HA GLN A 61 36.719 7.150 -9.666 1.00 1.33 H new ATOM 0 HB2 GLN A 61 36.370 6.699 -12.132 1.00 30.11 H new ATOM 0 HB3 GLN A 61 35.258 8.051 -12.206 1.00 30.11 H new ATOM 0 HG2 GLN A 61 37.433 8.644 -13.167 1.00 2.01 H new ATOM 0 HG3 GLN A 61 37.080 9.634 -11.764 1.00 2.01 H new ATOM 0 HE21 GLN A 61 38.264 9.251 -9.755 1.00 2.25 H new ATOM 0 HE22 GLN A 61 39.789 8.360 -9.778 1.00 2.25 H new ATOM 895 N ALA A 62 34.242 9.076 -9.137 1.00 41.01 N ATOM 896 CA ALA A 62 33.764 10.299 -8.493 1.00 11.32 C ATOM 897 C ALA A 62 34.595 10.756 -7.284 1.00 13.52 C ATOM 898 O ALA A 62 34.537 11.933 -6.933 1.00 1.24 O ATOM 899 CB ALA A 62 32.295 10.118 -8.094 1.00 74.01 C ATOM 0 H ALA A 62 33.502 8.385 -9.264 1.00 41.01 H new ATOM 0 HA ALA A 62 33.874 11.096 -9.229 1.00 11.32 H new ATOM 0 HB1 ALA A 62 31.934 11.027 -7.613 1.00 74.01 H new ATOM 0 HB2 ALA A 62 31.698 9.916 -8.984 1.00 74.01 H new ATOM 0 HB3 ALA A 62 32.207 9.281 -7.401 1.00 74.01 H new ATOM 905 N THR A 63 35.327 9.867 -6.607 1.00 34.12 N ATOM 906 CA THR A 63 36.153 10.249 -5.475 1.00 32.13 C ATOM 907 C THR A 63 37.303 9.254 -5.347 1.00 21.03 C ATOM 908 O THR A 63 37.148 8.056 -5.594 1.00 52.34 O ATOM 909 CB THR A 63 35.289 10.369 -4.202 1.00 54.35 C ATOM 910 OG1 THR A 63 36.034 10.981 -3.166 1.00 61.42 O ATOM 911 CG2 THR A 63 34.718 9.043 -3.688 1.00 71.51 C ATOM 0 H THR A 63 35.359 8.872 -6.831 1.00 34.12 H new ATOM 0 HA THR A 63 36.594 11.234 -5.627 1.00 32.13 H new ATOM 0 HB THR A 63 34.435 10.980 -4.492 1.00 54.35 H new ATOM 0 HG1 THR A 63 35.478 11.055 -2.363 1.00 61.42 H new ATOM 0 HG21 THR A 63 34.125 9.225 -2.792 1.00 71.51 H new ATOM 0 HG22 THR A 63 34.086 8.597 -4.456 1.00 71.51 H new ATOM 0 HG23 THR A 63 35.536 8.363 -3.450 1.00 71.51 H new ATOM 919 N ASN A 64 38.469 9.728 -4.906 1.00 4.12 N ATOM 920 CA ASN A 64 39.677 8.925 -4.708 1.00 33.43 C ATOM 921 C ASN A 64 39.576 8.173 -3.371 1.00 0.52 C ATOM 922 O ASN A 64 40.530 8.162 -2.592 1.00 3.01 O ATOM 923 CB ASN A 64 40.931 9.821 -4.745 1.00 3.53 C ATOM 924 CG ASN A 64 40.976 10.729 -5.963 1.00 41.41 C ATOM 925 OD1 ASN A 64 40.357 11.783 -5.951 1.00 61.14 O ATOM 926 ND2 ASN A 64 41.672 10.355 -7.024 1.00 50.13 N ATOM 0 H ASN A 64 38.603 10.711 -4.670 1.00 4.12 H new ATOM 0 HA ASN A 64 39.765 8.198 -5.515 1.00 33.43 H new ATOM 0 HB2 ASN A 64 40.962 10.431 -3.842 1.00 3.53 H new ATOM 0 HB3 ASN A 64 41.821 9.192 -4.735 1.00 3.53 H new ATOM 0 HD21 ASN A 64 41.699 10.950 -7.852 1.00 50.13 H new ATOM 0 HD22 ASN A 64 42.182 9.472 -7.014 1.00 50.13 H new ATOM 933 N LYS A 65 38.399 7.630 -3.044 1.00 74.22 N ATOM 934 CA LYS A 65 38.113 6.892 -1.811 1.00 70.23 C ATOM 935 C LYS A 65 37.187 5.696 -2.046 1.00 11.41 C ATOM 936 O LYS A 65 36.975 4.944 -1.099 1.00 64.22 O ATOM 937 CB LYS A 65 37.475 7.826 -0.755 1.00 61.31 C ATOM 938 CG LYS A 65 38.299 9.071 -0.382 1.00 35.13 C ATOM 939 CD LYS A 65 39.597 8.740 0.377 1.00 41.15 C ATOM 940 CE LYS A 65 40.654 9.839 0.205 1.00 62.14 C ATOM 941 NZ LYS A 65 40.194 11.162 0.688 1.00 42.11 N ATOM 0 H LYS A 65 37.586 7.696 -3.657 1.00 74.22 H new ATOM 0 HA LYS A 65 39.068 6.513 -1.448 1.00 70.23 H new ATOM 0 HB2 LYS A 65 36.504 8.153 -1.126 1.00 61.31 H new ATOM 0 HB3 LYS A 65 37.292 7.249 0.151 1.00 61.31 H new ATOM 0 HG2 LYS A 65 38.548 9.619 -1.291 1.00 35.13 H new ATOM 0 HG3 LYS A 65 37.687 9.732 0.231 1.00 35.13 H new ATOM 0 HD2 LYS A 65 39.376 8.611 1.437 1.00 41.15 H new ATOM 0 HD3 LYS A 65 39.997 7.792 0.017 1.00 41.15 H new ATOM 0 HE2 LYS A 65 41.557 9.555 0.745 1.00 62.14 H new ATOM 0 HE3 LYS A 65 40.923 9.916 -0.849 1.00 62.14 H new ATOM 0 HZ1 LYS A 65 40.965 11.853 0.594 1.00 42.11 H new ATOM 0 HZ2 LYS A 65 39.379 11.474 0.123 1.00 42.11 H new ATOM 0 HZ3 LYS A 65 39.915 11.089 1.687 1.00 42.11 H new ATOM 955 N THR A 66 36.648 5.517 -3.252 1.00 32.04 N ATOM 956 CA THR A 66 35.746 4.439 -3.625 1.00 31.43 C ATOM 957 C THR A 66 36.376 3.072 -3.328 1.00 43.12 C ATOM 958 O THR A 66 37.227 2.589 -4.074 1.00 11.33 O ATOM 959 CB THR A 66 35.376 4.638 -5.105 1.00 52.41 C ATOM 960 OG1 THR A 66 34.914 5.965 -5.264 1.00 43.15 O ATOM 961 CG2 THR A 66 34.271 3.694 -5.581 1.00 40.22 C ATOM 0 H THR A 66 36.840 6.151 -4.027 1.00 32.04 H new ATOM 0 HA THR A 66 34.831 4.463 -3.033 1.00 31.43 H new ATOM 0 HB THR A 66 36.266 4.427 -5.698 1.00 52.41 H new ATOM 0 HG1 THR A 66 34.984 6.225 -6.206 1.00 43.15 H new ATOM 0 HG21 THR A 66 34.057 3.885 -6.633 1.00 40.22 H new ATOM 0 HG22 THR A 66 34.597 2.661 -5.459 1.00 40.22 H new ATOM 0 HG23 THR A 66 33.370 3.862 -4.991 1.00 40.22 H new ATOM 969 N SER A 67 35.981 2.458 -2.217 1.00 13.22 N ATOM 970 CA SER A 67 36.433 1.163 -1.747 1.00 62.14 C ATOM 971 C SER A 67 35.366 0.658 -0.773 1.00 74.14 C ATOM 972 O SER A 67 34.546 1.451 -0.311 1.00 42.14 O ATOM 973 CB SER A 67 37.799 1.324 -1.069 1.00 3.22 C ATOM 974 OG SER A 67 38.491 0.092 -1.057 1.00 22.40 O ATOM 0 H SER A 67 35.297 2.879 -1.588 1.00 13.22 H new ATOM 0 HA SER A 67 36.560 0.445 -2.557 1.00 62.14 H new ATOM 0 HB2 SER A 67 38.388 2.074 -1.597 1.00 3.22 H new ATOM 0 HB3 SER A 67 37.666 1.683 -0.049 1.00 3.22 H new ATOM 0 HG SER A 67 39.362 0.210 -0.623 1.00 22.40 H new ATOM 980 N ASN A 68 35.369 -0.642 -0.449 1.00 14.31 N ATOM 981 CA ASN A 68 34.408 -1.295 0.460 1.00 32.34 C ATOM 982 C ASN A 68 32.943 -0.997 0.093 1.00 21.44 C ATOM 983 O ASN A 68 32.068 -1.097 0.955 1.00 34.24 O ATOM 984 CB ASN A 68 34.690 -0.937 1.935 1.00 42.22 C ATOM 985 CG ASN A 68 36.058 -1.403 2.394 1.00 11.34 C ATOM 986 OD1 ASN A 68 36.296 -2.595 2.550 1.00 54.44 O ATOM 987 ND2 ASN A 68 36.990 -0.484 2.580 1.00 3.11 N ATOM 0 H ASN A 68 36.061 -1.292 -0.822 1.00 14.31 H new ATOM 0 HA ASN A 68 34.553 -2.368 0.335 1.00 32.34 H new ATOM 0 HB2 ASN A 68 34.615 0.143 2.064 1.00 42.22 H new ATOM 0 HB3 ASN A 68 33.925 -1.387 2.568 1.00 42.22 H new ATOM 0 HD21 ASN A 68 37.931 -0.761 2.859 1.00 3.11 H new ATOM 0 HD22 ASN A 68 36.768 0.502 2.444 1.00 3.11 H new ATOM 994 N CYS A 69 32.669 -0.609 -1.159 1.00 0.22 N ATOM 995 CA CYS A 69 31.350 -0.274 -1.656 1.00 34.34 C ATOM 996 C CYS A 69 30.459 -1.504 -1.612 1.00 62.34 C ATOM 997 O CYS A 69 30.918 -2.614 -1.895 1.00 42.33 O ATOM 998 CB CYS A 69 31.448 0.252 -3.094 1.00 15.54 C ATOM 999 SG CYS A 69 32.579 1.668 -3.184 1.00 62.43 S ATOM 0 H CYS A 69 33.394 -0.520 -1.871 1.00 0.22 H new ATOM 0 HA CYS A 69 30.918 0.504 -1.026 1.00 34.34 H new ATOM 0 HB2 CYS A 69 31.798 -0.542 -3.754 1.00 15.54 H new ATOM 0 HB3 CYS A 69 30.460 0.547 -3.447 1.00 15.54 H new ATOM 0 HG CYS A 69 33.284 1.731 -2.093 1.00 62.43 H new ATOM 1005 N VAL A 70 29.181 -1.288 -1.319 1.00 61.23 N ATOM 1006 CA VAL A 70 28.203 -2.353 -1.228 1.00 21.34 C ATOM 1007 C VAL A 70 26.856 -1.879 -1.799 1.00 41.12 C ATOM 1008 O VAL A 70 26.604 -0.681 -1.969 1.00 12.33 O ATOM 1009 CB VAL A 70 28.106 -2.839 0.239 1.00 35.51 C ATOM 1010 CG1 VAL A 70 27.561 -4.264 0.250 1.00 31.34 C ATOM 1011 CG2 VAL A 70 29.408 -2.872 1.056 1.00 41.14 C ATOM 0 H VAL A 70 28.797 -0.360 -1.138 1.00 61.23 H new ATOM 0 HA VAL A 70 28.512 -3.208 -1.830 1.00 21.34 H new ATOM 0 HB VAL A 70 27.466 -2.095 0.713 1.00 35.51 H new ATOM 0 HG11 VAL A 70 27.488 -4.618 1.278 1.00 31.34 H new ATOM 0 HG12 VAL A 70 26.573 -4.279 -0.210 1.00 31.34 H new ATOM 0 HG13 VAL A 70 28.232 -4.915 -0.311 1.00 31.34 H new ATOM 0 HG21 VAL A 70 29.197 -3.231 2.063 1.00 41.14 H new ATOM 0 HG22 VAL A 70 30.122 -3.540 0.575 1.00 41.14 H new ATOM 0 HG23 VAL A 70 29.829 -1.868 1.110 1.00 41.14 H new ATOM 1021 N VAL A 71 25.988 -2.836 -2.111 1.00 5.43 N ATOM 1022 CA VAL A 71 24.658 -2.662 -2.661 1.00 34.53 C ATOM 1023 C VAL A 71 23.744 -3.703 -2.000 1.00 15.43 C ATOM 1024 O VAL A 71 24.221 -4.715 -1.470 1.00 23.44 O ATOM 1025 CB VAL A 71 24.764 -2.777 -4.205 1.00 63.11 C ATOM 1026 CG1 VAL A 71 25.315 -4.131 -4.666 1.00 24.50 C ATOM 1027 CG2 VAL A 71 23.452 -2.533 -4.962 1.00 43.03 C ATOM 0 H VAL A 71 26.216 -3.821 -1.975 1.00 5.43 H new ATOM 0 HA VAL A 71 24.221 -1.685 -2.454 1.00 34.53 H new ATOM 0 HB VAL A 71 25.460 -1.975 -4.453 1.00 63.11 H new ATOM 0 HG11 VAL A 71 25.366 -4.152 -5.755 1.00 24.50 H new ATOM 0 HG12 VAL A 71 26.313 -4.277 -4.253 1.00 24.50 H new ATOM 0 HG13 VAL A 71 24.658 -4.928 -4.318 1.00 24.50 H new ATOM 0 HG21 VAL A 71 23.626 -2.635 -6.033 1.00 43.03 H new ATOM 0 HG22 VAL A 71 22.707 -3.263 -4.644 1.00 43.03 H new ATOM 0 HG23 VAL A 71 23.090 -1.528 -4.747 1.00 43.03 H new ATOM 1037 N LEU A 72 22.441 -3.431 -1.973 1.00 30.35 N ATOM 1038 CA LEU A 72 21.400 -4.302 -1.423 1.00 42.22 C ATOM 1039 C LEU A 72 20.196 -4.148 -2.355 1.00 24.24 C ATOM 1040 O LEU A 72 20.006 -3.077 -2.945 1.00 1.32 O ATOM 1041 CB LEU A 72 21.013 -3.870 0.012 1.00 71.54 C ATOM 1042 CG LEU A 72 20.628 -4.973 1.034 1.00 64.22 C ATOM 1043 CD1 LEU A 72 19.943 -6.232 0.488 1.00 71.23 C ATOM 1044 CD2 LEU A 72 21.843 -5.444 1.832 1.00 11.43 C ATOM 0 H LEU A 72 22.064 -2.561 -2.349 1.00 30.35 H new ATOM 0 HA LEU A 72 21.745 -5.334 -1.362 1.00 42.22 H new ATOM 0 HB2 LEU A 72 21.850 -3.309 0.428 1.00 71.54 H new ATOM 0 HB3 LEU A 72 20.173 -3.179 -0.064 1.00 71.54 H new ATOM 0 HG LEU A 72 19.889 -4.454 1.644 1.00 64.22 H new ATOM 0 HD11 LEU A 72 19.731 -6.916 1.310 1.00 71.23 H new ATOM 0 HD12 LEU A 72 19.010 -5.955 -0.003 1.00 71.23 H new ATOM 0 HD13 LEU A 72 20.600 -6.721 -0.231 1.00 71.23 H new ATOM 0 HD21 LEU A 72 21.538 -6.216 2.538 1.00 11.43 H new ATOM 0 HD22 LEU A 72 22.590 -5.850 1.151 1.00 11.43 H new ATOM 0 HD23 LEU A 72 22.269 -4.602 2.377 1.00 11.43 H new ATOM 1056 N LYS A 73 19.370 -5.180 -2.500 1.00 13.25 N ATOM 1057 CA LYS A 73 18.177 -5.149 -3.338 1.00 5.42 C ATOM 1058 C LYS A 73 17.081 -5.960 -2.680 1.00 34.01 C ATOM 1059 O LYS A 73 17.387 -6.805 -1.844 1.00 72.34 O ATOM 1060 CB LYS A 73 18.487 -5.659 -4.765 1.00 25.14 C ATOM 1061 CG LYS A 73 18.664 -7.180 -4.969 1.00 54.22 C ATOM 1062 CD LYS A 73 17.373 -7.952 -5.296 1.00 35.32 C ATOM 1063 CE LYS A 73 16.924 -8.020 -6.764 1.00 64.33 C ATOM 1064 NZ LYS A 73 16.587 -6.732 -7.401 1.00 21.14 N ATOM 0 H LYS A 73 19.513 -6.074 -2.031 1.00 13.25 H new ATOM 0 HA LYS A 73 17.835 -4.119 -3.439 1.00 5.42 H new ATOM 0 HB2 LYS A 73 17.683 -5.325 -5.421 1.00 25.14 H new ATOM 0 HB3 LYS A 73 19.399 -5.168 -5.104 1.00 25.14 H new ATOM 0 HG2 LYS A 73 19.379 -7.341 -5.776 1.00 54.22 H new ATOM 0 HG3 LYS A 73 19.102 -7.603 -4.065 1.00 54.22 H new ATOM 0 HD2 LYS A 73 17.495 -8.974 -4.937 1.00 35.32 H new ATOM 0 HD3 LYS A 73 16.562 -7.506 -4.719 1.00 35.32 H new ATOM 0 HE2 LYS A 73 17.717 -8.492 -7.344 1.00 64.33 H new ATOM 0 HE3 LYS A 73 16.053 -8.672 -6.826 1.00 64.33 H new ATOM 0 HZ1 LYS A 73 16.250 -6.902 -8.370 1.00 21.14 H new ATOM 0 HZ2 LYS A 73 15.841 -6.258 -6.853 1.00 21.14 H new ATOM 0 HZ3 LYS A 73 17.432 -6.127 -7.430 1.00 21.14 H new ATOM 1078 N HIS A 74 15.826 -5.702 -3.034 1.00 3.12 N ATOM 1079 CA HIS A 74 14.674 -6.450 -2.524 1.00 71.14 C ATOM 1080 C HIS A 74 14.213 -7.307 -3.700 1.00 45.25 C ATOM 1081 O HIS A 74 14.032 -6.763 -4.788 1.00 75.51 O ATOM 1082 CB HIS A 74 13.538 -5.534 -2.043 1.00 34.25 C ATOM 1083 CG HIS A 74 12.688 -6.186 -0.972 1.00 55.11 C ATOM 1084 ND1 HIS A 74 11.323 -6.395 -1.004 1.00 21.24 N ATOM 1085 CD2 HIS A 74 13.142 -6.666 0.228 1.00 5.15 C ATOM 1086 CE1 HIS A 74 10.975 -7.001 0.146 1.00 40.40 C ATOM 1087 NE2 HIS A 74 12.051 -7.195 0.924 1.00 40.55 N ATOM 0 H HIS A 74 15.574 -4.962 -3.689 1.00 3.12 H new ATOM 0 HA HIS A 74 14.951 -7.041 -1.651 1.00 71.14 H new ATOM 0 HB2 HIS A 74 13.961 -4.608 -1.654 1.00 34.25 H new ATOM 0 HB3 HIS A 74 12.907 -5.265 -2.891 1.00 34.25 H new ATOM 0 HD2 HIS A 74 14.164 -6.640 0.576 1.00 5.15 H new ATOM 0 HE1 HIS A 74 9.968 -7.291 0.407 1.00 40.40 H new ATOM 0 HE2 HIS A 74 12.069 -7.640 1.842 1.00 40.55 H new ATOM 1095 N VAL A 75 14.076 -8.618 -3.553 1.00 73.12 N ATOM 1096 CA VAL A 75 13.651 -9.516 -4.624 1.00 43.42 C ATOM 1097 C VAL A 75 12.178 -9.279 -5.012 1.00 21.20 C ATOM 1098 O VAL A 75 11.929 -8.932 -6.170 1.00 10.21 O ATOM 1099 CB VAL A 75 13.954 -10.987 -4.244 1.00 71.11 C ATOM 1100 CG1 VAL A 75 13.279 -11.985 -5.195 1.00 31.41 C ATOM 1101 CG2 VAL A 75 15.464 -11.260 -4.268 1.00 62.53 C ATOM 0 H VAL A 75 14.260 -9.098 -2.672 1.00 73.12 H new ATOM 0 HA VAL A 75 14.230 -9.293 -5.520 1.00 43.42 H new ATOM 0 HB VAL A 75 13.556 -11.126 -3.239 1.00 71.11 H new ATOM 0 HG11 VAL A 75 13.521 -13.002 -4.887 1.00 31.41 H new ATOM 0 HG12 VAL A 75 12.199 -11.844 -5.163 1.00 31.41 H new ATOM 0 HG13 VAL A 75 13.637 -11.819 -6.211 1.00 31.41 H new ATOM 0 HG21 VAL A 75 15.650 -12.299 -3.998 1.00 62.53 H new ATOM 0 HG22 VAL A 75 15.852 -11.070 -5.269 1.00 62.53 H new ATOM 0 HG23 VAL A 75 15.964 -10.605 -3.555 1.00 62.53 H new ATOM 1111 N PRO A 76 11.183 -9.389 -4.107 1.00 43.11 N ATOM 1112 CA PRO A 76 9.774 -9.207 -4.463 1.00 34.40 C ATOM 1113 C PRO A 76 9.384 -7.801 -4.923 1.00 31.32 C ATOM 1114 O PRO A 76 8.292 -7.628 -5.464 1.00 34.13 O ATOM 1115 CB PRO A 76 8.975 -9.642 -3.235 1.00 23.11 C ATOM 1116 CG PRO A 76 9.941 -9.366 -2.101 1.00 73.13 C ATOM 1117 CD PRO A 76 11.279 -9.768 -2.703 1.00 44.12 C ATOM 0 HA PRO A 76 9.556 -9.810 -5.345 1.00 34.40 H new ATOM 0 HB2 PRO A 76 8.052 -9.073 -3.129 1.00 23.11 H new ATOM 0 HB3 PRO A 76 8.697 -10.695 -3.284 1.00 23.11 H new ATOM 0 HG2 PRO A 76 9.929 -8.317 -1.803 1.00 73.13 H new ATOM 0 HG3 PRO A 76 9.703 -9.952 -1.213 1.00 73.13 H new ATOM 0 HD2 PRO A 76 12.105 -9.255 -2.210 1.00 44.12 H new ATOM 0 HD3 PRO A 76 11.457 -10.838 -2.593 1.00 44.12 H new ATOM 1125 N SER A 77 10.241 -6.801 -4.735 1.00 61.42 N ATOM 1126 CA SER A 77 9.972 -5.428 -5.160 1.00 42.31 C ATOM 1127 C SER A 77 10.926 -5.042 -6.298 1.00 13.12 C ATOM 1128 O SER A 77 10.634 -4.149 -7.085 1.00 42.42 O ATOM 1129 CB SER A 77 10.103 -4.484 -3.961 1.00 2.05 C ATOM 1130 OG SER A 77 9.518 -5.055 -2.800 1.00 31.23 O ATOM 0 H SER A 77 11.147 -6.920 -4.281 1.00 61.42 H new ATOM 0 HA SER A 77 8.953 -5.347 -5.539 1.00 42.31 H new ATOM 0 HB2 SER A 77 11.155 -4.270 -3.775 1.00 2.05 H new ATOM 0 HB3 SER A 77 9.619 -3.534 -4.187 1.00 2.05 H new ATOM 0 HG SER A 77 10.214 -5.485 -2.261 1.00 31.23 H new ATOM 1136 N GLY A 78 12.052 -5.746 -6.418 1.00 31.21 N ATOM 1137 CA GLY A 78 13.110 -5.568 -7.401 1.00 45.11 C ATOM 1138 C GLY A 78 13.979 -4.330 -7.153 1.00 74.51 C ATOM 1139 O GLY A 78 15.035 -4.224 -7.773 1.00 25.23 O ATOM 0 H GLY A 78 12.260 -6.513 -5.779 1.00 31.21 H new ATOM 0 HA2 GLY A 78 13.746 -6.453 -7.402 1.00 45.11 H new ATOM 0 HA3 GLY A 78 12.664 -5.495 -8.393 1.00 45.11 H new ATOM 1143 N ILE A 79 13.601 -3.446 -6.219 1.00 53.11 N ATOM 1144 CA ILE A 79 14.299 -2.208 -5.871 1.00 23.41 C ATOM 1145 C ILE A 79 15.750 -2.515 -5.499 1.00 31.10 C ATOM 1146 O ILE A 79 16.019 -3.559 -4.902 1.00 12.25 O ATOM 1147 CB ILE A 79 13.590 -1.493 -4.690 1.00 71.41 C ATOM 1148 CG1 ILE A 79 12.056 -1.344 -4.850 1.00 52.20 C ATOM 1149 CG2 ILE A 79 14.215 -0.099 -4.469 1.00 72.11 C ATOM 1150 CD1 ILE A 79 11.350 -1.224 -3.495 1.00 3.01 C ATOM 0 H ILE A 79 12.759 -3.585 -5.661 1.00 53.11 H new ATOM 0 HA ILE A 79 14.282 -1.546 -6.737 1.00 23.41 H new ATOM 0 HB ILE A 79 13.744 -2.139 -3.825 1.00 71.41 H new ATOM 0 HG12 ILE A 79 11.838 -0.462 -5.453 1.00 52.20 H new ATOM 0 HG13 ILE A 79 11.662 -2.205 -5.390 1.00 52.20 H new ATOM 0 HG21 ILE A 79 13.713 0.397 -3.639 1.00 72.11 H new ATOM 0 HG22 ILE A 79 15.275 -0.208 -4.239 1.00 72.11 H new ATOM 0 HG23 ILE A 79 14.099 0.499 -5.373 1.00 72.11 H new ATOM 0 HD11 ILE A 79 10.276 -1.121 -3.652 1.00 3.01 H new ATOM 0 HD12 ILE A 79 11.546 -2.117 -2.902 1.00 3.01 H new ATOM 0 HD13 ILE A 79 11.725 -0.348 -2.966 1.00 3.01 H new ATOM 1162 N VAL A 80 16.666 -1.592 -5.794 1.00 3.10 N ATOM 1163 CA VAL A 80 18.092 -1.695 -5.511 1.00 62.43 C ATOM 1164 C VAL A 80 18.555 -0.360 -4.906 1.00 71.30 C ATOM 1165 O VAL A 80 18.029 0.705 -5.251 1.00 42.52 O ATOM 1166 CB VAL A 80 18.866 -2.013 -6.819 1.00 15.23 C ATOM 1167 CG1 VAL A 80 20.356 -2.276 -6.552 1.00 30.44 C ATOM 1168 CG2 VAL A 80 18.324 -3.208 -7.617 1.00 14.11 C ATOM 0 H VAL A 80 16.421 -0.716 -6.256 1.00 3.10 H new ATOM 0 HA VAL A 80 18.288 -2.502 -4.805 1.00 62.43 H new ATOM 0 HB VAL A 80 18.723 -1.114 -7.419 1.00 15.23 H new ATOM 0 HG11 VAL A 80 20.861 -2.495 -7.493 1.00 30.44 H new ATOM 0 HG12 VAL A 80 20.805 -1.394 -6.095 1.00 30.44 H new ATOM 0 HG13 VAL A 80 20.460 -3.126 -5.878 1.00 30.44 H new ATOM 0 HG21 VAL A 80 18.929 -3.352 -8.512 1.00 14.11 H new ATOM 0 HG22 VAL A 80 18.368 -4.106 -7.001 1.00 14.11 H new ATOM 0 HG23 VAL A 80 17.290 -3.015 -7.904 1.00 14.11 H new ATOM 1178 N VAL A 81 19.532 -0.414 -3.997 1.00 33.24 N ATOM 1179 CA VAL A 81 20.122 0.758 -3.354 1.00 53.25 C ATOM 1180 C VAL A 81 21.612 0.498 -3.121 1.00 13.31 C ATOM 1181 O VAL A 81 22.015 -0.607 -2.750 1.00 20.11 O ATOM 1182 CB VAL A 81 19.354 1.138 -2.073 1.00 20.24 C ATOM 1183 CG1 VAL A 81 19.573 0.149 -0.922 1.00 4.24 C ATOM 1184 CG2 VAL A 81 19.709 2.551 -1.593 1.00 30.51 C ATOM 0 H VAL A 81 19.942 -1.293 -3.682 1.00 33.24 H new ATOM 0 HA VAL A 81 20.036 1.628 -4.005 1.00 53.25 H new ATOM 0 HB VAL A 81 18.301 1.102 -2.353 1.00 20.24 H new ATOM 0 HG11 VAL A 81 19.005 0.474 -0.050 1.00 4.24 H new ATOM 0 HG12 VAL A 81 19.237 -0.842 -1.225 1.00 4.24 H new ATOM 0 HG13 VAL A 81 20.633 0.112 -0.671 1.00 4.24 H new ATOM 0 HG21 VAL A 81 19.146 2.780 -0.688 1.00 30.51 H new ATOM 0 HG22 VAL A 81 20.777 2.605 -1.380 1.00 30.51 H new ATOM 0 HG23 VAL A 81 19.457 3.273 -2.369 1.00 30.51 H new ATOM 1194 N LYS A 82 22.440 1.515 -3.349 1.00 4.31 N ATOM 1195 CA LYS A 82 23.896 1.469 -3.192 1.00 51.51 C ATOM 1196 C LYS A 82 24.286 2.331 -1.999 1.00 13.54 C ATOM 1197 O LYS A 82 23.848 3.483 -1.937 1.00 64.21 O ATOM 1198 CB LYS A 82 24.610 2.012 -4.448 1.00 61.45 C ATOM 1199 CG LYS A 82 24.538 1.117 -5.696 1.00 25.51 C ATOM 1200 CD LYS A 82 23.298 1.294 -6.586 1.00 75.40 C ATOM 1201 CE LYS A 82 23.324 2.618 -7.369 1.00 34.21 C ATOM 1202 NZ LYS A 82 22.203 2.693 -8.327 1.00 11.00 N ATOM 0 H LYS A 82 22.106 2.427 -3.659 1.00 4.31 H new ATOM 0 HA LYS A 82 24.196 0.432 -3.042 1.00 51.51 H new ATOM 0 HB2 LYS A 82 24.182 2.983 -4.695 1.00 61.45 H new ATOM 0 HB3 LYS A 82 25.659 2.179 -4.203 1.00 61.45 H new ATOM 0 HG2 LYS A 82 25.425 1.303 -6.302 1.00 25.51 H new ATOM 0 HG3 LYS A 82 24.584 0.076 -5.375 1.00 25.51 H new ATOM 0 HD2 LYS A 82 23.235 0.461 -7.287 1.00 75.40 H new ATOM 0 HD3 LYS A 82 22.401 1.258 -5.967 1.00 75.40 H new ATOM 0 HE2 LYS A 82 23.269 3.456 -6.674 1.00 34.21 H new ATOM 0 HE3 LYS A 82 24.270 2.709 -7.904 1.00 34.21 H new ATOM 0 HZ1 LYS A 82 22.245 3.596 -8.841 1.00 11.00 H new ATOM 0 HZ2 LYS A 82 22.271 1.906 -9.004 1.00 11.00 H new ATOM 0 HZ3 LYS A 82 21.302 2.630 -7.812 1.00 11.00 H new ATOM 1216 N CYS A 83 25.061 1.795 -1.049 1.00 61.34 N ATOM 1217 CA CYS A 83 25.524 2.536 0.129 1.00 73.43 C ATOM 1218 C CYS A 83 26.879 2.035 0.653 1.00 34.52 C ATOM 1219 O CYS A 83 27.226 0.861 0.522 1.00 14.40 O ATOM 1220 CB CYS A 83 24.477 2.470 1.251 1.00 15.40 C ATOM 1221 SG CYS A 83 23.333 3.875 1.102 1.00 21.31 S ATOM 0 H CYS A 83 25.386 0.829 -1.077 1.00 61.34 H new ATOM 0 HA CYS A 83 25.661 3.570 -0.188 1.00 73.43 H new ATOM 0 HB2 CYS A 83 23.926 1.532 1.193 1.00 15.40 H new ATOM 0 HB3 CYS A 83 24.969 2.491 2.223 1.00 15.40 H new ATOM 0 HG CYS A 83 23.172 4.172 -0.153 1.00 21.31 H new ATOM 1227 N HIS A 84 27.635 2.966 1.236 1.00 63.40 N ATOM 1228 CA HIS A 84 28.949 2.841 1.859 1.00 10.00 C ATOM 1229 C HIS A 84 29.026 3.994 2.859 1.00 43.34 C ATOM 1230 O HIS A 84 28.587 5.105 2.541 1.00 64.31 O ATOM 1231 CB HIS A 84 30.090 2.990 0.836 1.00 63.34 C ATOM 1232 CG HIS A 84 31.437 3.201 1.498 1.00 3.33 C ATOM 1233 ND1 HIS A 84 31.932 4.401 1.967 1.00 50.21 N ATOM 1234 CD2 HIS A 84 32.307 2.223 1.898 1.00 51.25 C ATOM 1235 CE1 HIS A 84 33.052 4.139 2.665 1.00 74.05 C ATOM 1236 NE2 HIS A 84 33.316 2.824 2.656 1.00 51.34 N ATOM 0 H HIS A 84 27.304 3.929 1.288 1.00 63.40 H new ATOM 0 HA HIS A 84 29.063 1.859 2.317 1.00 10.00 H new ATOM 0 HB2 HIS A 84 30.132 2.099 0.210 1.00 63.34 H new ATOM 0 HB3 HIS A 84 29.876 3.832 0.178 1.00 63.34 H new ATOM 0 HD2 HIS A 84 32.228 1.171 1.668 1.00 51.25 H new ATOM 0 HE1 HIS A 84 33.655 4.884 3.163 1.00 74.05 H new ATOM 0 HE2 HIS A 84 34.099 2.355 3.112 1.00 51.34 H new ATOM 1244 N GLN A 85 29.582 3.767 4.047 1.00 21.15 N ATOM 1245 CA GLN A 85 29.722 4.791 5.071 1.00 14.44 C ATOM 1246 C GLN A 85 30.924 4.423 5.934 1.00 22.20 C ATOM 1247 O GLN A 85 31.953 5.094 5.914 1.00 60.32 O ATOM 1248 CB GLN A 85 28.406 4.852 5.871 1.00 24.21 C ATOM 1249 CG GLN A 85 28.360 5.824 7.063 1.00 13.20 C ATOM 1250 CD GLN A 85 27.130 5.564 7.942 1.00 23.02 C ATOM 1251 OE1 GLN A 85 27.229 5.370 9.148 1.00 45.41 O ATOM 1252 NE2 GLN A 85 25.938 5.501 7.374 1.00 63.04 N ATOM 0 H GLN A 85 29.950 2.857 4.325 1.00 21.15 H new ATOM 0 HA GLN A 85 29.899 5.782 4.654 1.00 14.44 H new ATOM 0 HB2 GLN A 85 27.603 5.120 5.184 1.00 24.21 H new ATOM 0 HB3 GLN A 85 28.187 3.850 6.241 1.00 24.21 H new ATOM 0 HG2 GLN A 85 29.266 5.716 7.659 1.00 13.20 H new ATOM 0 HG3 GLN A 85 28.339 6.851 6.698 1.00 13.20 H new ATOM 0 HE21 GLN A 85 25.842 5.660 6.371 1.00 63.04 H new ATOM 0 HE22 GLN A 85 25.114 5.293 7.939 1.00 63.04 H new ATOM 1261 N THR A 86 30.782 3.349 6.699 1.00 3.43 N ATOM 1262 CA THR A 86 31.796 2.843 7.602 1.00 72.32 C ATOM 1263 C THR A 86 32.880 2.074 6.840 1.00 13.31 C ATOM 1264 O THR A 86 32.609 1.463 5.808 1.00 13.14 O ATOM 1265 CB THR A 86 31.062 1.970 8.632 1.00 61.24 C ATOM 1266 OG1 THR A 86 30.176 1.065 7.997 1.00 45.15 O ATOM 1267 CG2 THR A 86 30.222 2.851 9.571 1.00 71.32 C ATOM 0 H THR A 86 29.928 2.791 6.705 1.00 3.43 H new ATOM 0 HA THR A 86 32.323 3.652 8.107 1.00 72.32 H new ATOM 0 HB THR A 86 31.822 1.420 9.188 1.00 61.24 H new ATOM 0 HG1 THR A 86 30.451 0.937 7.065 1.00 45.15 H new ATOM 0 HG21 THR A 86 29.707 2.221 10.296 1.00 71.32 H new ATOM 0 HG22 THR A 86 30.874 3.549 10.095 1.00 71.32 H new ATOM 0 HG23 THR A 86 29.488 3.408 8.988 1.00 71.32 H new ATOM 1275 N ARG A 87 34.109 2.053 7.370 1.00 1.31 N ATOM 1276 CA ARG A 87 35.221 1.339 6.732 1.00 54.15 C ATOM 1277 C ARG A 87 35.027 -0.179 6.727 1.00 62.24 C ATOM 1278 O ARG A 87 35.607 -0.845 5.874 1.00 31.34 O ATOM 1279 CB ARG A 87 36.548 1.689 7.404 1.00 34.43 C ATOM 1280 CG ARG A 87 37.121 2.938 6.729 1.00 4.22 C ATOM 1281 CD ARG A 87 38.373 3.420 7.448 1.00 64.23 C ATOM 1282 NE ARG A 87 39.485 2.450 7.381 1.00 60.41 N ATOM 1283 CZ ARG A 87 40.616 2.488 8.101 1.00 3.33 C ATOM 1284 NH1 ARG A 87 40.833 3.476 8.970 1.00 22.12 N ATOM 1285 NH2 ARG A 87 41.530 1.532 7.948 1.00 63.12 N ATOM 0 H ARG A 87 34.358 2.523 8.240 1.00 1.31 H new ATOM 0 HA ARG A 87 35.240 1.668 5.693 1.00 54.15 H new ATOM 0 HB2 ARG A 87 36.397 1.869 8.468 1.00 34.43 H new ATOM 0 HB3 ARG A 87 37.247 0.857 7.317 1.00 34.43 H new ATOM 0 HG2 ARG A 87 37.357 2.717 5.688 1.00 4.22 H new ATOM 0 HG3 ARG A 87 36.372 3.730 6.725 1.00 4.22 H new ATOM 0 HD2 ARG A 87 38.695 4.365 7.011 1.00 64.23 H new ATOM 0 HD3 ARG A 87 38.132 3.617 8.493 1.00 64.23 H new ATOM 0 HE ARG A 87 39.383 1.677 6.724 1.00 60.41 H new ATOM 0 HH11 ARG A 87 40.136 4.211 9.091 1.00 22.12 H new ATOM 0 HH12 ARG A 87 41.696 3.497 9.513 1.00 22.12 H new ATOM 0 HH21 ARG A 87 41.369 0.774 7.285 1.00 63.12 H new ATOM 0 HH22 ARG A 87 42.391 1.558 8.494 1.00 63.12 H new ATOM 1299 N SER A 88 34.262 -0.725 7.670 1.00 24.44 N ATOM 1300 CA SER A 88 34.032 -2.152 7.760 1.00 1.50 C ATOM 1301 C SER A 88 32.972 -2.571 6.745 1.00 11.12 C ATOM 1302 O SER A 88 31.817 -2.161 6.871 1.00 72.42 O ATOM 1303 CB SER A 88 33.569 -2.493 9.183 1.00 10.02 C ATOM 1304 OG SER A 88 34.416 -1.916 10.157 1.00 24.01 O ATOM 0 H SER A 88 33.786 -0.183 8.391 1.00 24.44 H new ATOM 0 HA SER A 88 34.954 -2.690 7.540 1.00 1.50 H new ATOM 0 HB2 SER A 88 32.549 -2.137 9.330 1.00 10.02 H new ATOM 0 HB3 SER A 88 33.550 -3.575 9.311 1.00 10.02 H new ATOM 0 HG SER A 88 34.093 -2.151 11.052 1.00 24.01 H new ATOM 1310 N VAL A 89 33.344 -3.406 5.769 1.00 14.32 N ATOM 1311 CA VAL A 89 32.418 -3.911 4.755 1.00 35.32 C ATOM 1312 C VAL A 89 31.217 -4.557 5.461 1.00 23.21 C ATOM 1313 O VAL A 89 30.083 -4.286 5.087 1.00 72.12 O ATOM 1314 CB VAL A 89 33.151 -4.863 3.778 1.00 72.30 C ATOM 1315 CG1 VAL A 89 33.928 -6.003 4.465 1.00 13.24 C ATOM 1316 CG2 VAL A 89 32.180 -5.478 2.761 1.00 22.11 C ATOM 0 H VAL A 89 34.298 -3.750 5.662 1.00 14.32 H new ATOM 0 HA VAL A 89 32.036 -3.097 4.139 1.00 35.32 H new ATOM 0 HB VAL A 89 33.880 -4.226 3.277 1.00 72.30 H new ATOM 0 HG11 VAL A 89 34.411 -6.622 3.709 1.00 13.24 H new ATOM 0 HG12 VAL A 89 34.685 -5.581 5.126 1.00 13.24 H new ATOM 0 HG13 VAL A 89 33.238 -6.614 5.047 1.00 13.24 H new ATOM 0 HG21 VAL A 89 32.727 -6.141 2.091 1.00 22.11 H new ATOM 0 HG22 VAL A 89 31.413 -6.047 3.288 1.00 22.11 H new ATOM 0 HG23 VAL A 89 31.709 -4.684 2.182 1.00 22.11 H new ATOM 1326 N ASP A 90 31.463 -5.332 6.526 1.00 34.12 N ATOM 1327 CA ASP A 90 30.428 -6.004 7.307 1.00 21.34 C ATOM 1328 C ASP A 90 29.388 -5.017 7.837 1.00 31.31 C ATOM 1329 O ASP A 90 28.191 -5.281 7.762 1.00 20.42 O ATOM 1330 CB ASP A 90 31.071 -6.758 8.469 1.00 14.42 C ATOM 1331 CG ASP A 90 30.009 -7.237 9.458 1.00 43.33 C ATOM 1332 OD1 ASP A 90 29.123 -8.016 9.051 1.00 20.55 O ATOM 1333 OD2 ASP A 90 30.113 -6.875 10.655 1.00 43.04 O ATOM 0 H ASP A 90 32.406 -5.510 6.871 1.00 34.12 H new ATOM 0 HA ASP A 90 29.913 -6.705 6.651 1.00 21.34 H new ATOM 0 HB2 ASP A 90 31.632 -7.612 8.089 1.00 14.42 H new ATOM 0 HB3 ASP A 90 31.784 -6.110 8.979 1.00 14.42 H new ATOM 1338 N GLN A 91 29.833 -3.878 8.368 1.00 43.53 N ATOM 1339 CA GLN A 91 28.939 -2.859 8.893 1.00 44.31 C ATOM 1340 C GLN A 91 28.154 -2.264 7.717 1.00 32.43 C ATOM 1341 O GLN A 91 26.949 -2.037 7.837 1.00 51.12 O ATOM 1342 CB GLN A 91 29.761 -1.813 9.654 1.00 32.01 C ATOM 1343 CG GLN A 91 28.913 -0.774 10.403 1.00 4.42 C ATOM 1344 CD GLN A 91 28.298 -1.261 11.717 1.00 34.45 C ATOM 1345 OE1 GLN A 91 28.214 -2.452 12.009 1.00 73.15 O ATOM 1346 NE2 GLN A 91 27.847 -0.335 12.547 1.00 23.14 N ATOM 0 H GLN A 91 30.822 -3.641 8.444 1.00 43.53 H new ATOM 0 HA GLN A 91 28.221 -3.273 9.601 1.00 44.31 H new ATOM 0 HB2 GLN A 91 30.406 -2.323 10.369 1.00 32.01 H new ATOM 0 HB3 GLN A 91 30.412 -1.295 8.950 1.00 32.01 H new ATOM 0 HG2 GLN A 91 29.535 0.097 10.612 1.00 4.42 H new ATOM 0 HG3 GLN A 91 28.110 -0.442 9.745 1.00 4.42 H new ATOM 0 HE21 GLN A 91 27.920 0.652 12.299 1.00 23.14 H new ATOM 0 HE22 GLN A 91 27.426 -0.608 13.435 1.00 23.14 H new ATOM 1355 N ASN A 92 28.802 -2.055 6.562 1.00 44.23 N ATOM 1356 CA ASN A 92 28.131 -1.519 5.379 1.00 51.22 C ATOM 1357 C ASN A 92 27.006 -2.471 4.949 1.00 13.33 C ATOM 1358 O ASN A 92 26.009 -1.997 4.394 1.00 32.34 O ATOM 1359 CB ASN A 92 29.093 -1.236 4.211 1.00 63.11 C ATOM 1360 CG ASN A 92 30.003 -0.034 4.438 1.00 72.10 C ATOM 1361 OD1 ASN A 92 29.638 0.938 5.098 1.00 25.24 O ATOM 1362 ND2 ASN A 92 31.197 -0.048 3.877 1.00 52.52 N ATOM 0 H ASN A 92 29.794 -2.251 6.426 1.00 44.23 H new ATOM 0 HA ASN A 92 27.709 -0.553 5.655 1.00 51.22 H new ATOM 0 HB2 ASN A 92 29.709 -2.118 4.039 1.00 63.11 H new ATOM 0 HB3 ASN A 92 28.510 -1.072 3.305 1.00 63.11 H new ATOM 0 HD21 ASN A 92 31.823 0.750 3.989 1.00 52.52 H new ATOM 0 HD22 ASN A 92 31.494 -0.857 3.331 1.00 52.52 H new ATOM 1369 N ARG A 93 27.111 -3.791 5.204 1.00 64.42 N ATOM 1370 CA ARG A 93 26.061 -4.769 4.863 1.00 70.21 C ATOM 1371 C ARG A 93 24.765 -4.362 5.562 1.00 71.51 C ATOM 1372 O ARG A 93 23.685 -4.402 4.971 1.00 13.21 O ATOM 1373 CB ARG A 93 26.449 -6.227 5.193 1.00 22.13 C ATOM 1374 CG ARG A 93 27.733 -6.644 4.458 1.00 32.45 C ATOM 1375 CD ARG A 93 28.056 -8.141 4.471 1.00 34.14 C ATOM 1376 NE ARG A 93 28.347 -8.665 5.820 1.00 52.13 N ATOM 1377 CZ ARG A 93 28.866 -9.874 6.082 1.00 34.34 C ATOM 1378 NH1 ARG A 93 28.999 -10.789 5.128 1.00 41.52 N ATOM 1379 NH2 ARG A 93 29.253 -10.149 7.318 1.00 53.32 N ATOM 0 H ARG A 93 27.927 -4.208 5.652 1.00 64.42 H new ATOM 0 HA ARG A 93 25.923 -4.752 3.782 1.00 70.21 H new ATOM 0 HB2 ARG A 93 26.592 -6.333 6.268 1.00 22.13 H new ATOM 0 HB3 ARG A 93 25.634 -6.895 4.913 1.00 22.13 H new ATOM 0 HG2 ARG A 93 27.657 -6.318 3.421 1.00 32.45 H new ATOM 0 HG3 ARG A 93 28.572 -6.107 4.900 1.00 32.45 H new ATOM 0 HD2 ARG A 93 27.214 -8.691 4.049 1.00 34.14 H new ATOM 0 HD3 ARG A 93 28.914 -8.326 3.824 1.00 34.14 H new ATOM 0 HE ARG A 93 28.137 -8.061 6.615 1.00 52.13 H new ATOM 0 HH11 ARG A 93 28.704 -10.578 4.175 1.00 41.52 H new ATOM 0 HH12 ARG A 93 29.396 -11.702 5.349 1.00 41.52 H new ATOM 0 HH21 ARG A 93 29.154 -9.447 8.051 1.00 53.32 H new ATOM 0 HH22 ARG A 93 29.650 -11.063 7.537 1.00 53.32 H new ATOM 1393 N LYS A 94 24.874 -3.921 6.814 1.00 44.45 N ATOM 1394 CA LYS A 94 23.757 -3.490 7.654 1.00 34.31 C ATOM 1395 C LYS A 94 23.212 -2.166 7.167 1.00 41.44 C ATOM 1396 O LYS A 94 22.001 -2.012 7.014 1.00 72.14 O ATOM 1397 CB LYS A 94 24.192 -3.343 9.132 1.00 2.42 C ATOM 1398 CG LYS A 94 25.173 -4.451 9.493 1.00 14.12 C ATOM 1399 CD LYS A 94 25.429 -4.682 10.979 1.00 71.21 C ATOM 1400 CE LYS A 94 26.230 -5.983 11.111 1.00 52.12 C ATOM 1401 NZ LYS A 94 25.423 -7.168 10.735 1.00 43.22 N ATOM 0 H LYS A 94 25.774 -3.851 7.289 1.00 44.45 H new ATOM 0 HA LYS A 94 22.983 -4.254 7.588 1.00 34.31 H new ATOM 0 HB2 LYS A 94 24.655 -2.369 9.289 1.00 2.42 H new ATOM 0 HB3 LYS A 94 23.320 -3.390 9.784 1.00 2.42 H new ATOM 0 HG2 LYS A 94 24.807 -5.383 9.062 1.00 14.12 H new ATOM 0 HG3 LYS A 94 26.127 -4.231 9.014 1.00 14.12 H new ATOM 0 HD2 LYS A 94 25.982 -3.846 11.407 1.00 71.21 H new ATOM 0 HD3 LYS A 94 24.488 -4.754 11.524 1.00 71.21 H new ATOM 0 HE2 LYS A 94 27.115 -5.930 10.477 1.00 52.12 H new ATOM 0 HE3 LYS A 94 26.579 -6.092 12.138 1.00 52.12 H new ATOM 0 HZ1 LYS A 94 25.791 -8.008 11.226 1.00 43.22 H new ATOM 0 HZ2 LYS A 94 24.431 -7.014 11.008 1.00 43.22 H new ATOM 0 HZ3 LYS A 94 25.480 -7.315 9.707 1.00 43.22 H new ATOM 1415 N ILE A 95 24.108 -1.220 6.894 1.00 32.10 N ATOM 1416 CA ILE A 95 23.752 0.116 6.453 1.00 53.45 C ATOM 1417 C ILE A 95 22.904 0.073 5.185 1.00 23.40 C ATOM 1418 O ILE A 95 21.820 0.655 5.155 1.00 11.12 O ATOM 1419 CB ILE A 95 25.014 0.993 6.314 1.00 65.35 C ATOM 1420 CG1 ILE A 95 25.659 1.126 7.716 1.00 72.32 C ATOM 1421 CG2 ILE A 95 24.696 2.397 5.761 1.00 22.40 C ATOM 1422 CD1 ILE A 95 27.017 1.813 7.743 1.00 2.41 C ATOM 0 H ILE A 95 25.114 -1.367 6.976 1.00 32.10 H new ATOM 0 HA ILE A 95 23.127 0.585 7.213 1.00 53.45 H new ATOM 0 HB ILE A 95 25.691 0.516 5.605 1.00 65.35 H new ATOM 0 HG12 ILE A 95 24.977 1.680 8.361 1.00 72.32 H new ATOM 0 HG13 ILE A 95 25.765 0.130 8.145 1.00 72.32 H new ATOM 0 HG21 ILE A 95 25.617 2.974 5.682 1.00 22.40 H new ATOM 0 HG22 ILE A 95 24.240 2.305 4.775 1.00 22.40 H new ATOM 0 HG23 ILE A 95 24.006 2.905 6.434 1.00 22.40 H new ATOM 0 HD11 ILE A 95 27.383 1.856 8.769 1.00 2.41 H new ATOM 0 HD12 ILE A 95 27.721 1.251 7.130 1.00 2.41 H new ATOM 0 HD13 ILE A 95 26.921 2.825 7.349 1.00 2.41 H new ATOM 1434 N ALA A 96 23.360 -0.620 4.135 1.00 14.31 N ATOM 1435 CA ALA A 96 22.584 -0.678 2.900 1.00 70.03 C ATOM 1436 C ALA A 96 21.220 -1.357 3.124 1.00 5.12 C ATOM 1437 O ALA A 96 20.261 -1.047 2.422 1.00 3.22 O ATOM 1438 CB ALA A 96 23.382 -1.333 1.781 1.00 4.35 C ATOM 0 H ALA A 96 24.240 -1.135 4.117 1.00 14.31 H new ATOM 0 HA ALA A 96 22.375 0.344 2.585 1.00 70.03 H new ATOM 0 HB1 ALA A 96 22.779 -1.363 0.873 1.00 4.35 H new ATOM 0 HB2 ALA A 96 24.289 -0.757 1.596 1.00 4.35 H new ATOM 0 HB3 ALA A 96 23.650 -2.349 2.072 1.00 4.35 H new ATOM 1444 N ARG A 97 21.116 -2.264 4.101 1.00 72.45 N ATOM 1445 CA ARG A 97 19.874 -2.957 4.427 1.00 44.31 C ATOM 1446 C ARG A 97 18.912 -1.998 5.126 1.00 5.51 C ATOM 1447 O ARG A 97 17.757 -1.930 4.723 1.00 40.12 O ATOM 1448 CB ARG A 97 20.195 -4.197 5.274 1.00 72.54 C ATOM 1449 CG ARG A 97 19.050 -5.215 5.268 1.00 74.22 C ATOM 1450 CD ARG A 97 19.466 -6.479 6.026 1.00 61.02 C ATOM 1451 NE ARG A 97 19.568 -6.236 7.474 1.00 74.44 N ATOM 1452 CZ ARG A 97 20.252 -6.966 8.360 1.00 20.52 C ATOM 1453 NH1 ARG A 97 21.227 -7.785 7.990 1.00 64.40 N ATOM 1454 NH2 ARG A 97 19.955 -6.890 9.644 1.00 63.24 N ATOM 0 H ARG A 97 21.902 -2.537 4.691 1.00 72.45 H new ATOM 0 HA ARG A 97 19.377 -3.298 3.519 1.00 44.31 H new ATOM 0 HB2 ARG A 97 21.101 -4.670 4.894 1.00 72.54 H new ATOM 0 HB3 ARG A 97 20.401 -3.891 6.300 1.00 72.54 H new ATOM 0 HG2 ARG A 97 18.164 -4.780 5.730 1.00 74.22 H new ATOM 0 HG3 ARG A 97 18.783 -5.468 4.242 1.00 74.22 H new ATOM 0 HD2 ARG A 97 18.740 -7.270 5.840 1.00 61.02 H new ATOM 0 HD3 ARG A 97 20.426 -6.831 5.648 1.00 61.02 H new ATOM 0 HE ARG A 97 19.065 -5.427 7.839 1.00 74.44 H new ATOM 0 HH11 ARG A 97 21.474 -7.871 7.004 1.00 64.40 H new ATOM 0 HH12 ARG A 97 21.730 -8.329 8.691 1.00 64.40 H new ATOM 0 HH21 ARG A 97 19.205 -6.275 9.958 1.00 63.24 H new ATOM 0 HH22 ARG A 97 20.476 -7.446 10.322 1.00 63.24 H new ATOM 1468 N LYS A 98 19.356 -1.205 6.111 1.00 53.53 N ATOM 1469 CA LYS A 98 18.437 -0.282 6.783 1.00 61.34 C ATOM 1470 C LYS A 98 17.924 0.787 5.815 1.00 74.20 C ATOM 1471 O LYS A 98 16.758 1.162 5.913 1.00 44.44 O ATOM 1472 CB LYS A 98 18.975 0.227 8.132 1.00 32.00 C ATOM 1473 CG LYS A 98 20.098 1.278 8.113 1.00 33.54 C ATOM 1474 CD LYS A 98 19.582 2.720 8.055 1.00 52.15 C ATOM 1475 CE LYS A 98 18.964 3.107 9.410 1.00 21.43 C ATOM 1476 NZ LYS A 98 18.220 4.376 9.357 1.00 14.13 N ATOM 0 H LYS A 98 20.317 -1.184 6.451 1.00 53.53 H new ATOM 0 HA LYS A 98 17.547 -0.836 7.080 1.00 61.34 H new ATOM 0 HB2 LYS A 98 18.137 0.645 8.689 1.00 32.00 H new ATOM 0 HB3 LYS A 98 19.334 -0.635 8.695 1.00 32.00 H new ATOM 0 HG2 LYS A 98 20.714 1.156 9.004 1.00 33.54 H new ATOM 0 HG3 LYS A 98 20.742 1.095 7.252 1.00 33.54 H new ATOM 0 HD2 LYS A 98 20.399 3.399 7.810 1.00 52.15 H new ATOM 0 HD3 LYS A 98 18.838 2.818 7.264 1.00 52.15 H new ATOM 0 HE2 LYS A 98 18.294 2.312 9.739 1.00 21.43 H new ATOM 0 HE3 LYS A 98 19.755 3.186 10.156 1.00 21.43 H new ATOM 0 HZ1 LYS A 98 17.826 4.587 10.296 1.00 14.13 H new ATOM 0 HZ2 LYS A 98 18.861 5.143 9.071 1.00 14.13 H new ATOM 0 HZ3 LYS A 98 17.446 4.296 8.667 1.00 14.13 H new ATOM 1490 N VAL A 99 18.733 1.275 4.864 1.00 1.41 N ATOM 1491 CA VAL A 99 18.224 2.267 3.906 1.00 45.31 C ATOM 1492 C VAL A 99 17.263 1.559 2.941 1.00 43.45 C ATOM 1493 O VAL A 99 16.292 2.159 2.483 1.00 53.14 O ATOM 1494 CB VAL A 99 19.361 3.043 3.214 1.00 23.25 C ATOM 1495 CG1 VAL A 99 20.296 2.136 2.423 1.00 74.23 C ATOM 1496 CG2 VAL A 99 18.850 4.129 2.264 1.00 63.03 C ATOM 0 H VAL A 99 19.710 1.011 4.738 1.00 1.41 H new ATOM 0 HA VAL A 99 17.663 3.042 4.428 1.00 45.31 H new ATOM 0 HB VAL A 99 19.907 3.506 4.036 1.00 23.25 H new ATOM 0 HG11 VAL A 99 21.077 2.736 1.957 1.00 74.23 H new ATOM 0 HG12 VAL A 99 20.750 1.407 3.094 1.00 74.23 H new ATOM 0 HG13 VAL A 99 19.730 1.615 1.651 1.00 74.23 H new ATOM 0 HG21 VAL A 99 19.697 4.641 1.807 1.00 63.03 H new ATOM 0 HG22 VAL A 99 18.238 3.673 1.485 1.00 63.03 H new ATOM 0 HG23 VAL A 99 18.250 4.848 2.822 1.00 63.03 H new ATOM 1506 N LEU A 100 17.516 0.280 2.623 1.00 52.43 N ATOM 1507 CA LEU A 100 16.643 -0.503 1.745 1.00 14.32 C ATOM 1508 C LEU A 100 15.295 -0.660 2.453 1.00 15.04 C ATOM 1509 O LEU A 100 14.270 -0.656 1.784 1.00 5.54 O ATOM 1510 CB LEU A 100 17.252 -1.876 1.400 1.00 1.45 C ATOM 1511 CG LEU A 100 16.336 -2.774 0.541 1.00 24.54 C ATOM 1512 CD1 LEU A 100 16.120 -2.215 -0.872 1.00 41.30 C ATOM 1513 CD2 LEU A 100 16.962 -4.161 0.405 1.00 12.52 C ATOM 0 H LEU A 100 18.327 -0.235 2.966 1.00 52.43 H new ATOM 0 HA LEU A 100 16.518 0.017 0.795 1.00 14.32 H new ATOM 0 HB2 LEU A 100 18.192 -1.722 0.870 1.00 1.45 H new ATOM 0 HB3 LEU A 100 17.490 -2.399 2.326 1.00 1.45 H new ATOM 0 HG LEU A 100 15.372 -2.817 1.048 1.00 24.54 H new ATOM 0 HD11 LEU A 100 15.469 -2.885 -1.433 1.00 41.30 H new ATOM 0 HD12 LEU A 100 15.658 -1.230 -0.807 1.00 41.30 H new ATOM 0 HD13 LEU A 100 17.080 -2.132 -1.381 1.00 41.30 H new ATOM 0 HD21 LEU A 100 16.315 -4.794 -0.202 1.00 12.52 H new ATOM 0 HD22 LEU A 100 17.937 -4.075 -0.074 1.00 12.52 H new ATOM 0 HD23 LEU A 100 17.081 -4.605 1.393 1.00 12.52 H new ATOM 1525 N GLN A 101 15.278 -0.740 3.788 1.00 71.04 N ATOM 1526 CA GLN A 101 14.056 -0.868 4.565 1.00 71.22 C ATOM 1527 C GLN A 101 13.116 0.288 4.219 1.00 62.13 C ATOM 1528 O GLN A 101 11.939 0.045 3.994 1.00 1.31 O ATOM 1529 CB GLN A 101 14.391 -1.007 6.060 1.00 5.43 C ATOM 1530 CG GLN A 101 13.213 -1.552 6.876 1.00 50.12 C ATOM 1531 CD GLN A 101 13.615 -2.199 8.206 1.00 42.34 C ATOM 1532 OE1 GLN A 101 14.777 -2.234 8.621 1.00 13.01 O ATOM 1533 NE2 GLN A 101 12.653 -2.772 8.894 1.00 35.24 N ATOM 0 H GLN A 101 16.124 -0.717 4.358 1.00 71.04 H new ATOM 0 HA GLN A 101 13.518 -1.781 4.309 1.00 71.22 H new ATOM 0 HB2 GLN A 101 15.248 -1.670 6.177 1.00 5.43 H new ATOM 0 HB3 GLN A 101 14.684 -0.035 6.456 1.00 5.43 H new ATOM 0 HG2 GLN A 101 12.517 -0.737 7.077 1.00 50.12 H new ATOM 0 HG3 GLN A 101 12.678 -2.287 6.274 1.00 50.12 H new ATOM 0 HE21 GLN A 101 11.693 -2.743 8.550 1.00 35.24 H new ATOM 0 HE22 GLN A 101 12.866 -3.246 9.772 1.00 35.24 H new ATOM 1542 N GLU A 102 13.631 1.514 4.073 1.00 35.14 N ATOM 1543 CA GLU A 102 12.824 2.682 3.718 1.00 51.35 C ATOM 1544 C GLU A 102 12.208 2.517 2.328 1.00 64.25 C ATOM 1545 O GLU A 102 11.081 2.948 2.085 1.00 31.52 O ATOM 1546 CB GLU A 102 13.704 3.937 3.655 1.00 52.11 C ATOM 1547 CG GLU A 102 14.424 4.306 4.945 1.00 73.22 C ATOM 1548 CD GLU A 102 13.455 4.553 6.100 1.00 43.24 C ATOM 1549 OE1 GLU A 102 12.433 5.245 5.876 1.00 71.34 O ATOM 1550 OE2 GLU A 102 13.763 4.029 7.198 1.00 5.10 O ATOM 0 H GLU A 102 14.622 1.722 4.198 1.00 35.14 H new ATOM 0 HA GLU A 102 12.048 2.776 4.478 1.00 51.35 H new ATOM 0 HB2 GLU A 102 14.449 3.796 2.872 1.00 52.11 H new ATOM 0 HB3 GLU A 102 13.081 4.780 3.355 1.00 52.11 H new ATOM 0 HG2 GLU A 102 15.112 3.505 5.216 1.00 73.22 H new ATOM 0 HG3 GLU A 102 15.025 5.200 4.780 1.00 73.22 H new ATOM 1557 N LYS A 103 12.981 1.956 1.391 1.00 62.13 N ATOM 1558 CA LYS A 103 12.552 1.729 0.014 1.00 22.14 C ATOM 1559 C LYS A 103 11.386 0.755 -0.027 1.00 1.14 C ATOM 1560 O LYS A 103 10.416 0.978 -0.744 1.00 42.33 O ATOM 1561 CB LYS A 103 13.679 1.113 -0.836 1.00 54.33 C ATOM 1562 CG LYS A 103 14.978 1.907 -0.966 1.00 3.41 C ATOM 1563 CD LYS A 103 14.760 3.155 -1.817 1.00 3.50 C ATOM 1564 CE LYS A 103 16.098 3.828 -2.107 1.00 2.13 C ATOM 1565 NZ LYS A 103 15.920 4.959 -3.027 1.00 73.34 N ATOM 0 H LYS A 103 13.935 1.644 1.575 1.00 62.13 H new ATOM 0 HA LYS A 103 12.268 2.702 -0.386 1.00 22.14 H new ATOM 0 HB2 LYS A 103 13.922 0.137 -0.416 1.00 54.33 H new ATOM 0 HB3 LYS A 103 13.288 0.940 -1.839 1.00 54.33 H new ATOM 0 HG2 LYS A 103 15.337 2.192 0.023 1.00 3.41 H new ATOM 0 HG3 LYS A 103 15.749 1.282 -1.417 1.00 3.41 H new ATOM 0 HD2 LYS A 103 14.268 2.886 -2.752 1.00 3.50 H new ATOM 0 HD3 LYS A 103 14.099 3.849 -1.297 1.00 3.50 H new ATOM 0 HE2 LYS A 103 16.545 4.177 -1.176 1.00 2.13 H new ATOM 0 HE3 LYS A 103 16.788 3.105 -2.541 1.00 2.13 H new ATOM 0 HZ1 LYS A 103 16.841 5.404 -3.212 1.00 73.34 H new ATOM 0 HZ2 LYS A 103 15.514 4.618 -3.922 1.00 73.34 H new ATOM 0 HZ3 LYS A 103 15.278 5.657 -2.599 1.00 73.34 H new ATOM 1579 N VAL A 104 11.528 -0.359 0.685 1.00 22.23 N ATOM 1580 CA VAL A 104 10.533 -1.411 0.746 1.00 21.43 C ATOM 1581 C VAL A 104 9.300 -0.928 1.510 1.00 20.43 C ATOM 1582 O VAL A 104 8.189 -1.182 1.060 1.00 21.01 O ATOM 1583 CB VAL A 104 11.182 -2.676 1.333 1.00 33.43 C ATOM 1584 CG1 VAL A 104 10.180 -3.830 1.359 1.00 73.34 C ATOM 1585 CG2 VAL A 104 12.370 -3.138 0.467 1.00 15.31 C ATOM 0 H VAL A 104 12.357 -0.554 1.246 1.00 22.23 H new ATOM 0 HA VAL A 104 10.175 -1.671 -0.250 1.00 21.43 H new ATOM 0 HB VAL A 104 11.515 -2.424 2.340 1.00 33.43 H new ATOM 0 HG11 VAL A 104 10.657 -4.716 1.777 1.00 73.34 H new ATOM 0 HG12 VAL A 104 9.323 -3.554 1.974 1.00 73.34 H new ATOM 0 HG13 VAL A 104 9.844 -4.043 0.344 1.00 73.34 H new ATOM 0 HG21 VAL A 104 12.812 -4.034 0.903 1.00 15.31 H new ATOM 0 HG22 VAL A 104 12.021 -3.360 -0.541 1.00 15.31 H new ATOM 0 HG23 VAL A 104 13.119 -2.347 0.426 1.00 15.31 H new ATOM 1595 N ASP A 105 9.480 -0.195 2.606 1.00 53.15 N ATOM 1596 CA ASP A 105 8.411 0.350 3.439 1.00 64.14 C ATOM 1597 C ASP A 105 7.412 1.112 2.563 1.00 41.44 C ATOM 1598 O ASP A 105 6.269 0.689 2.388 1.00 22.21 O ATOM 1599 CB ASP A 105 9.059 1.216 4.530 1.00 54.21 C ATOM 1600 CG ASP A 105 8.055 1.882 5.457 1.00 14.34 C ATOM 1601 OD1 ASP A 105 7.240 1.153 6.065 1.00 61.14 O ATOM 1602 OD2 ASP A 105 8.169 3.112 5.655 1.00 21.43 O ATOM 0 H ASP A 105 10.409 0.045 2.951 1.00 53.15 H new ATOM 0 HA ASP A 105 7.839 -0.436 3.932 1.00 64.14 H new ATOM 0 HB2 ASP A 105 9.731 0.596 5.122 1.00 54.21 H new ATOM 0 HB3 ASP A 105 9.669 1.985 4.057 1.00 54.21 H new ATOM 1607 N VAL A 106 7.875 2.172 1.900 1.00 44.20 N ATOM 1608 CA VAL A 106 7.060 3.007 1.024 1.00 42.13 C ATOM 1609 C VAL A 106 6.530 2.230 -0.194 1.00 60.12 C ATOM 1610 O VAL A 106 5.540 2.623 -0.810 1.00 22.55 O ATOM 1611 CB VAL A 106 7.868 4.274 0.672 1.00 23.42 C ATOM 1612 CG1 VAL A 106 8.998 4.044 -0.344 1.00 15.41 C ATOM 1613 CG2 VAL A 106 6.942 5.373 0.163 1.00 62.53 C ATOM 0 H VAL A 106 8.846 2.478 1.959 1.00 44.20 H new ATOM 0 HA VAL A 106 6.153 3.322 1.539 1.00 42.13 H new ATOM 0 HB VAL A 106 8.348 4.577 1.602 1.00 23.42 H new ATOM 0 HG11 VAL A 106 9.514 4.985 -0.534 1.00 15.41 H new ATOM 0 HG12 VAL A 106 9.705 3.317 0.056 1.00 15.41 H new ATOM 0 HG13 VAL A 106 8.578 3.666 -1.276 1.00 15.41 H new ATOM 0 HG21 VAL A 106 7.528 6.259 -0.080 1.00 62.53 H new ATOM 0 HG22 VAL A 106 6.421 5.026 -0.730 1.00 62.53 H new ATOM 0 HG23 VAL A 106 6.213 5.621 0.935 1.00 62.53 H new ATOM 1623 N PHE A 107 7.177 1.132 -0.575 1.00 63.32 N ATOM 1624 CA PHE A 107 6.752 0.308 -1.699 1.00 74.24 C ATOM 1625 C PHE A 107 5.530 -0.540 -1.336 1.00 74.14 C ATOM 1626 O PHE A 107 4.767 -0.906 -2.228 1.00 13.43 O ATOM 1627 CB PHE A 107 7.906 -0.574 -2.170 1.00 73.55 C ATOM 1628 CG PHE A 107 7.549 -1.413 -3.381 1.00 52.30 C ATOM 1629 CD1 PHE A 107 7.497 -0.819 -4.654 1.00 21.33 C ATOM 1630 CD2 PHE A 107 7.178 -2.764 -3.220 1.00 12.41 C ATOM 1631 CE1 PHE A 107 7.078 -1.575 -5.761 1.00 53.30 C ATOM 1632 CE2 PHE A 107 6.767 -3.522 -4.331 1.00 73.33 C ATOM 1633 CZ PHE A 107 6.720 -2.924 -5.603 1.00 34.40 C ATOM 0 H PHE A 107 8.016 0.788 -0.108 1.00 63.32 H new ATOM 0 HA PHE A 107 6.461 0.968 -2.516 1.00 74.24 H new ATOM 0 HB2 PHE A 107 8.763 0.055 -2.410 1.00 73.55 H new ATOM 0 HB3 PHE A 107 8.211 -1.231 -1.356 1.00 73.55 H new ATOM 0 HD1 PHE A 107 7.779 0.216 -4.780 1.00 21.33 H new ATOM 0 HD2 PHE A 107 7.210 -3.218 -2.241 1.00 12.41 H new ATOM 0 HE1 PHE A 107 7.031 -1.117 -6.738 1.00 53.30 H new ATOM 0 HE2 PHE A 107 6.489 -4.558 -4.208 1.00 73.33 H new ATOM 0 HZ PHE A 107 6.408 -3.503 -6.460 1.00 34.40 H new ATOM 1643 N TYR A 108 5.330 -0.889 -0.061 1.00 1.30 N ATOM 1644 CA TYR A 108 4.178 -1.679 0.375 1.00 55.44 C ATOM 1645 C TYR A 108 3.108 -0.753 0.950 1.00 24.14 C ATOM 1646 O TYR A 108 1.918 -1.026 0.786 1.00 25.10 O ATOM 1647 CB TYR A 108 4.604 -2.796 1.329 1.00 53.13 C ATOM 1648 CG TYR A 108 5.217 -3.980 0.603 1.00 63.40 C ATOM 1649 CD1 TYR A 108 4.390 -4.950 0.001 1.00 31.44 C ATOM 1650 CD2 TYR A 108 6.612 -4.099 0.493 1.00 25.21 C ATOM 1651 CE1 TYR A 108 4.953 -6.016 -0.729 1.00 73.24 C ATOM 1652 CE2 TYR A 108 7.180 -5.165 -0.224 1.00 1.13 C ATOM 1653 CZ TYR A 108 6.356 -6.121 -0.848 1.00 4.13 C ATOM 1654 OH TYR A 108 6.942 -7.104 -1.579 1.00 31.24 O ATOM 0 H TYR A 108 5.963 -0.631 0.696 1.00 1.30 H new ATOM 0 HA TYR A 108 3.733 -2.186 -0.481 1.00 55.44 H new ATOM 0 HB2 TYR A 108 5.324 -2.402 2.046 1.00 53.13 H new ATOM 0 HB3 TYR A 108 3.738 -3.132 1.899 1.00 53.13 H new ATOM 0 HD1 TYR A 108 3.317 -4.876 0.100 1.00 31.44 H new ATOM 0 HD2 TYR A 108 7.252 -3.367 0.962 1.00 25.21 H new ATOM 0 HE1 TYR A 108 4.313 -6.750 -1.196 1.00 73.24 H new ATOM 0 HE2 TYR A 108 8.254 -5.252 -0.297 1.00 1.13 H new ATOM 0 HH TYR A 108 7.916 -7.005 -1.539 1.00 31.24 H new ATOM 1664 N ASN A 109 3.503 0.373 1.550 1.00 51.24 N ATOM 1665 CA ASN A 109 2.572 1.355 2.109 1.00 32.43 C ATOM 1666 C ASN A 109 1.924 2.183 0.990 1.00 2.41 C ATOM 1667 O ASN A 109 1.032 2.984 1.261 1.00 4.40 O ATOM 1668 CB ASN A 109 3.289 2.327 3.061 1.00 22.43 C ATOM 1669 CG ASN A 109 3.951 1.678 4.267 1.00 30.20 C ATOM 1670 OD1 ASN A 109 3.471 0.672 4.796 1.00 71.15 O ATOM 1671 ND2 ASN A 109 5.054 2.252 4.713 1.00 51.42 N ATOM 0 H ASN A 109 4.484 0.630 1.662 1.00 51.24 H new ATOM 0 HA ASN A 109 1.813 0.797 2.657 1.00 32.43 H new ATOM 0 HB2 ASN A 109 4.048 2.869 2.497 1.00 22.43 H new ATOM 0 HB3 ASN A 109 2.567 3.063 3.415 1.00 22.43 H new ATOM 0 HD21 ASN A 109 5.540 1.864 5.522 1.00 51.42 H new ATOM 0 HD22 ASN A 109 5.420 3.083 4.249 1.00 51.42 H new ATOM 1678 N SER A 110 2.355 2.019 -0.262 1.00 61.50 N ATOM 1679 CA SER A 110 1.866 2.732 -1.429 1.00 53.43 C ATOM 1680 C SER A 110 1.687 1.766 -2.599 1.00 61.14 C ATOM 1681 O SER A 110 2.037 0.584 -2.501 1.00 62.44 O ATOM 1682 CB SER A 110 2.902 3.822 -1.754 1.00 73.42 C ATOM 1683 OG SER A 110 2.287 5.024 -2.159 1.00 44.13 O ATOM 0 H SER A 110 3.090 1.351 -0.494 1.00 61.50 H new ATOM 0 HA SER A 110 0.892 3.184 -1.240 1.00 53.43 H new ATOM 0 HB2 SER A 110 3.521 4.008 -0.877 1.00 73.42 H new ATOM 0 HB3 SER A 110 3.566 3.469 -2.543 1.00 73.42 H new ATOM 0 HG SER A 110 2.975 5.694 -2.355 1.00 44.13 H new ATOM 1689 N GLY A 111 1.125 2.259 -3.705 1.00 1.02 N ATOM 1690 CA GLY A 111 0.919 1.444 -4.891 1.00 41.40 C ATOM 1691 C GLY A 111 2.244 1.250 -5.627 1.00 11.44 C ATOM 1692 O GLY A 111 3.220 1.962 -5.343 1.00 51.43 O ATOM 0 H GLY A 111 0.805 3.223 -3.798 1.00 1.02 H new ATOM 0 HA2 GLY A 111 0.504 0.476 -4.610 1.00 41.40 H new ATOM 0 HA3 GLY A 111 0.194 1.922 -5.550 1.00 41.40 H new ATOM 1696 N PRO A 112 2.318 0.293 -6.560 1.00 61.22 N ATOM 1697 CA PRO A 112 3.531 0.036 -7.310 1.00 74.04 C ATOM 1698 C PRO A 112 3.662 1.143 -8.353 1.00 44.23 C ATOM 1699 O PRO A 112 2.681 1.551 -8.979 1.00 61.11 O ATOM 1700 CB PRO A 112 3.338 -1.350 -7.923 1.00 74.43 C ATOM 1701 CG PRO A 112 1.831 -1.404 -8.154 1.00 31.43 C ATOM 1702 CD PRO A 112 1.249 -0.591 -6.996 1.00 75.33 C ATOM 0 HA PRO A 112 4.447 0.041 -6.719 1.00 74.04 H new ATOM 0 HB2 PRO A 112 3.895 -1.463 -8.853 1.00 74.43 H new ATOM 0 HB3 PRO A 112 3.674 -2.141 -7.252 1.00 74.43 H new ATOM 0 HG2 PRO A 112 1.560 -0.975 -9.119 1.00 31.43 H new ATOM 0 HG3 PRO A 112 1.463 -2.430 -8.146 1.00 31.43 H new ATOM 0 HD2 PRO A 112 0.377 -0.022 -7.317 1.00 75.33 H new ATOM 0 HD3 PRO A 112 0.924 -1.242 -6.185 1.00 75.33 H new ATOM 1710 N SER A 113 4.872 1.651 -8.526 1.00 41.11 N ATOM 1711 CA SER A 113 5.185 2.706 -9.472 1.00 44.01 C ATOM 1712 C SER A 113 6.562 2.421 -10.066 1.00 72.12 C ATOM 1713 O SER A 113 7.206 1.445 -9.666 1.00 23.24 O ATOM 1714 CB SER A 113 5.072 4.057 -8.757 1.00 63.24 C ATOM 1715 OG SER A 113 5.823 4.098 -7.553 1.00 31.20 O ATOM 0 H SER A 113 5.684 1.331 -7.997 1.00 41.11 H new ATOM 0 HA SER A 113 4.484 2.743 -10.306 1.00 44.01 H new ATOM 0 HB2 SER A 113 5.417 4.847 -9.424 1.00 63.24 H new ATOM 0 HB3 SER A 113 4.024 4.261 -8.535 1.00 63.24 H new ATOM 0 HG SER A 113 5.722 4.978 -7.134 1.00 31.20 H new ATOM 1721 N SER A 114 7.016 3.239 -11.007 1.00 70.34 N ATOM 1722 CA SER A 114 8.301 3.094 -11.677 1.00 61.11 C ATOM 1723 C SER A 114 9.195 4.296 -11.366 1.00 42.33 C ATOM 1724 O SER A 114 8.780 5.236 -10.675 1.00 31.41 O ATOM 1725 CB SER A 114 8.071 2.859 -13.178 1.00 52.42 C ATOM 1726 OG SER A 114 6.836 3.381 -13.635 1.00 13.04 O ATOM 0 H SER A 114 6.484 4.045 -11.334 1.00 70.34 H new ATOM 0 HA SER A 114 8.835 2.220 -11.303 1.00 61.11 H new ATOM 0 HB2 SER A 114 8.884 3.317 -13.741 1.00 52.42 H new ATOM 0 HB3 SER A 114 8.105 1.789 -13.382 1.00 52.42 H new ATOM 0 HG SER A 114 6.742 3.206 -14.595 1.00 13.04 H new ATOM 1732 N GLY A 115 10.440 4.267 -11.835 1.00 63.41 N ATOM 1733 CA GLY A 115 11.412 5.316 -11.629 1.00 70.31 C ATOM 1734 C GLY A 115 12.694 4.925 -12.324 1.00 4.01 C ATOM 1735 O GLY A 115 13.751 5.349 -11.812 1.00 24.21 O ATOM 0 H GLY A 115 10.802 3.487 -12.383 1.00 63.41 H new ATOM 0 HA2 GLY A 115 11.039 6.261 -12.025 1.00 70.31 H new ATOM 0 HA3 GLY A 115 11.589 5.465 -10.564 1.00 70.31 H new TER 1739 GLY A 115