USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 831 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.4 (180deg=-0.411) USER MOD Single : A 3 HIS : no HD1:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.31) USER MOD Single : A 5 HIS : no HD1:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.378 K(o=-0.38,f=-1.4) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 8 HIS : no HE2:sc= 0.861 K(o=0.86,f=-3!) USER MOD Single : A 9 MET CE :methyl -160:sc= -0.122 (180deg=-0.563) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.106 K(o=0.11,f=-4.2!) USER MOD Single : A 21 SER OG : rot 38:sc= 0.195 USER MOD Single : A 28 THR OG1 : rot 118:sc= 0.265 USER MOD Single : A 40 THR OG1 : rot 34:sc= 0.139 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 45 GLN : amide:sc= -0.553 K(o=-0.55,f=-4.8!) USER MOD Single : A 47 GLN : amide:sc= -0.855 K(o=-0.86,f=-3.9!) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.0357 (180deg=-0.254) USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 162:sc= 0.579 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 0.811 (180deg=-2.99!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -109:sc= 1.66 (180deg=-1) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 4:sc= 1.23 USER MOD Single : A 107 SER OG : rot 180:sc= 0.00575 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.556 K(o=0.56,f=0.0038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -39.305 0.800 -70.587 1.00 42.33 N ATOM 2 CA MET A 1 -38.023 1.521 -70.780 1.00 64.05 C ATOM 3 C MET A 1 -37.331 1.758 -69.435 1.00 13.42 C ATOM 4 O MET A 1 -36.662 2.778 -69.238 1.00 71.30 O ATOM 5 CB MET A 1 -38.274 2.864 -71.486 1.00 34.21 C ATOM 6 CG MET A 1 -38.914 2.733 -72.861 1.00 22.10 C ATOM 7 SD MET A 1 -39.211 4.330 -73.644 1.00 51.33 S ATOM 8 CE MET A 1 -39.992 3.817 -75.172 1.00 62.53 C ATOM 0 H1 MET A 1 -39.752 0.633 -71.511 1.00 42.33 H new ATOM 0 H2 MET A 1 -39.124 -0.112 -70.120 1.00 42.33 H new ATOM 0 H3 MET A 1 -39.939 1.372 -69.994 1.00 42.33 H new ATOM 0 HA MET A 1 -37.372 0.907 -71.402 1.00 64.05 H new ATOM 0 HB2 MET A 1 -38.916 3.479 -70.855 1.00 34.21 H new ATOM 0 HB3 MET A 1 -37.326 3.392 -71.587 1.00 34.21 H new ATOM 0 HG2 MET A 1 -38.268 2.133 -73.502 1.00 22.10 H new ATOM 0 HG3 MET A 1 -39.859 2.197 -72.768 1.00 22.10 H new ATOM 0 HE1 MET A 1 -40.237 4.696 -75.768 1.00 62.53 H new ATOM 0 HE2 MET A 1 -39.310 3.177 -75.732 1.00 62.53 H new ATOM 0 HE3 MET A 1 -40.905 3.266 -74.947 1.00 62.53 H new ATOM 20 N ALA A 2 -37.476 0.800 -68.521 1.00 15.35 N ATOM 21 CA ALA A 2 -36.896 0.909 -67.187 1.00 62.22 C ATOM 22 C ALA A 2 -35.394 0.644 -67.225 1.00 54.21 C ATOM 23 O ALA A 2 -34.953 -0.453 -67.587 1.00 13.45 O ATOM 24 CB ALA A 2 -37.587 -0.060 -66.231 1.00 15.21 C ATOM 0 H ALA A 2 -37.993 -0.064 -68.683 1.00 15.35 H new ATOM 0 HA ALA A 2 -37.051 1.926 -66.826 1.00 62.22 H new ATOM 0 HB1 ALA A 2 -37.145 0.031 -65.239 1.00 15.21 H new ATOM 0 HB2 ALA A 2 -38.650 0.177 -66.178 1.00 15.21 H new ATOM 0 HB3 ALA A 2 -37.460 -1.080 -66.593 1.00 15.21 H new ATOM 30 N HIS A 3 -34.612 1.653 -66.863 1.00 62.30 N ATOM 31 CA HIS A 3 -33.165 1.510 -66.788 1.00 61.24 C ATOM 32 C HIS A 3 -32.777 0.745 -65.524 1.00 75.23 C ATOM 33 O HIS A 3 -33.197 1.097 -64.420 1.00 31.12 O ATOM 34 CB HIS A 3 -32.477 2.882 -66.827 1.00 53.45 C ATOM 35 CG HIS A 3 -32.500 3.519 -68.185 1.00 10.41 C ATOM 36 ND1 HIS A 3 -32.540 4.883 -68.382 1.00 44.13 N ATOM 37 CD2 HIS A 3 -32.466 2.967 -69.423 1.00 54.24 C ATOM 38 CE1 HIS A 3 -32.531 5.139 -69.678 1.00 44.22 C ATOM 39 NE2 HIS A 3 -32.485 3.996 -70.329 1.00 52.33 N ATOM 0 H HIS A 3 -34.957 2.581 -66.616 1.00 62.30 H new ATOM 0 HA HIS A 3 -32.828 0.943 -67.655 1.00 61.24 H new ATOM 0 HB2 HIS A 3 -32.965 3.546 -66.114 1.00 53.45 H new ATOM 0 HB3 HIS A 3 -31.442 2.771 -66.503 1.00 53.45 H new ATOM 0 HD2 HIS A 3 -32.431 1.912 -69.653 1.00 54.24 H new ATOM 0 HE1 HIS A 3 -32.557 6.121 -70.128 1.00 44.22 H new ATOM 0 HE2 HIS A 3 -32.466 3.892 -71.344 1.00 52.33 H new ATOM 48 N HIS A 4 -31.990 -0.312 -65.702 1.00 45.44 N ATOM 49 CA HIS A 4 -31.557 -1.159 -64.591 1.00 14.04 C ATOM 50 C HIS A 4 -30.724 -0.362 -63.588 1.00 24.20 C ATOM 51 O HIS A 4 -29.821 0.387 -63.964 1.00 32.41 O ATOM 52 CB HIS A 4 -30.771 -2.375 -65.106 1.00 31.14 C ATOM 53 CG HIS A 4 -29.712 -2.040 -66.111 1.00 25.40 C ATOM 54 ND1 HIS A 4 -29.876 -2.252 -67.461 1.00 41.35 N ATOM 55 CD2 HIS A 4 -28.477 -1.503 -65.966 1.00 61.12 C ATOM 56 CE1 HIS A 4 -28.797 -1.858 -68.103 1.00 25.52 C ATOM 57 NE2 HIS A 4 -27.928 -1.397 -67.221 1.00 63.11 N ATOM 0 H HIS A 4 -31.636 -0.605 -66.612 1.00 45.44 H new ATOM 0 HA HIS A 4 -32.448 -1.521 -64.078 1.00 14.04 H new ATOM 0 HB2 HIS A 4 -30.306 -2.878 -64.259 1.00 31.14 H new ATOM 0 HB3 HIS A 4 -31.470 -3.083 -65.553 1.00 31.14 H new ATOM 0 HD2 HIS A 4 -28.010 -1.212 -65.036 1.00 61.12 H new ATOM 0 HE1 HIS A 4 -28.647 -1.904 -69.172 1.00 25.52 H new ATOM 0 HE2 HIS A 4 -27.003 -1.024 -67.436 1.00 63.11 H new ATOM 66 N HIS A 5 -31.042 -0.532 -62.314 1.00 43.15 N ATOM 67 CA HIS A 5 -30.401 0.214 -61.240 1.00 52.04 C ATOM 68 C HIS A 5 -29.371 -0.658 -60.525 1.00 31.33 C ATOM 69 O HIS A 5 -29.461 -1.891 -60.554 1.00 44.54 O ATOM 70 CB HIS A 5 -31.465 0.700 -60.246 1.00 13.13 C ATOM 71 CG HIS A 5 -32.609 1.418 -60.894 1.00 51.14 C ATOM 72 ND1 HIS A 5 -33.799 0.802 -61.214 1.00 45.22 N ATOM 73 CD2 HIS A 5 -32.743 2.708 -61.278 1.00 75.11 C ATOM 74 CE1 HIS A 5 -34.612 1.681 -61.765 1.00 22.22 C ATOM 75 NE2 HIS A 5 -33.995 2.847 -61.816 1.00 71.23 N ATOM 0 H HIS A 5 -31.752 -1.191 -61.994 1.00 43.15 H new ATOM 0 HA HIS A 5 -29.885 1.075 -61.665 1.00 52.04 H new ATOM 0 HB2 HIS A 5 -31.851 -0.156 -59.693 1.00 13.13 H new ATOM 0 HB3 HIS A 5 -30.995 1.363 -59.520 1.00 13.13 H new ATOM 0 HD2 HIS A 5 -32.000 3.485 -61.179 1.00 75.11 H new ATOM 0 HE1 HIS A 5 -35.614 1.481 -62.116 1.00 22.22 H new ATOM 0 HE2 HIS A 5 -34.386 3.710 -62.194 1.00 71.23 H new ATOM 84 N HIS A 6 -28.388 -0.015 -59.901 1.00 45.44 N ATOM 85 CA HIS A 6 -27.370 -0.717 -59.120 1.00 65.41 C ATOM 86 C HIS A 6 -28.025 -1.541 -58.009 1.00 61.41 C ATOM 87 O HIS A 6 -28.849 -1.027 -57.252 1.00 42.22 O ATOM 88 CB HIS A 6 -26.364 0.279 -58.517 1.00 63.14 C ATOM 89 CG HIS A 6 -26.984 1.304 -57.611 1.00 1.11 C ATOM 90 ND1 HIS A 6 -27.297 1.055 -56.292 1.00 42.22 N ATOM 91 CD2 HIS A 6 -27.356 2.584 -57.845 1.00 65.43 C ATOM 92 CE1 HIS A 6 -27.833 2.136 -55.759 1.00 42.01 C ATOM 93 NE2 HIS A 6 -27.881 3.081 -56.679 1.00 73.25 N ATOM 0 H HIS A 6 -28.273 0.998 -59.921 1.00 45.44 H new ATOM 0 HA HIS A 6 -26.832 -1.390 -59.788 1.00 65.41 H new ATOM 0 HB2 HIS A 6 -25.610 -0.276 -57.958 1.00 63.14 H new ATOM 0 HB3 HIS A 6 -25.846 0.792 -59.328 1.00 63.14 H new ATOM 0 HD2 HIS A 6 -27.258 3.117 -58.779 1.00 65.43 H new ATOM 0 HE1 HIS A 6 -28.176 2.232 -54.739 1.00 42.01 H new ATOM 0 HE2 HIS A 6 -28.247 4.024 -56.545 1.00 73.25 H new ATOM 102 N HIS A 7 -27.654 -2.815 -57.913 1.00 41.25 N ATOM 103 CA HIS A 7 -28.255 -3.717 -56.930 1.00 71.21 C ATOM 104 C HIS A 7 -27.648 -3.490 -55.549 1.00 1.31 C ATOM 105 O HIS A 7 -28.358 -3.484 -54.543 1.00 43.01 O ATOM 106 CB HIS A 7 -28.075 -5.185 -57.348 1.00 4.24 C ATOM 107 CG HIS A 7 -28.787 -5.548 -58.618 1.00 51.54 C ATOM 108 ND1 HIS A 7 -28.230 -6.346 -59.598 1.00 41.15 N ATOM 109 CD2 HIS A 7 -30.030 -5.231 -59.056 1.00 64.14 C ATOM 110 CE1 HIS A 7 -29.099 -6.501 -60.582 1.00 54.14 C ATOM 111 NE2 HIS A 7 -30.195 -5.834 -60.276 1.00 55.45 N ATOM 0 H HIS A 7 -26.942 -3.247 -58.502 1.00 41.25 H new ATOM 0 HA HIS A 7 -29.322 -3.498 -56.886 1.00 71.21 H new ATOM 0 HB2 HIS A 7 -27.011 -5.390 -57.468 1.00 4.24 H new ATOM 0 HB3 HIS A 7 -28.435 -5.828 -56.545 1.00 4.24 H new ATOM 0 HD2 HIS A 7 -30.755 -4.618 -58.540 1.00 64.14 H new ATOM 0 HE1 HIS A 7 -28.939 -7.075 -61.482 1.00 54.14 H new ATOM 0 HE2 HIS A 7 -31.033 -5.776 -60.855 1.00 55.45 H new ATOM 120 N HIS A 8 -26.333 -3.295 -55.509 1.00 21.43 N ATOM 121 CA HIS A 8 -25.625 -3.086 -54.248 1.00 5.40 C ATOM 122 C HIS A 8 -24.246 -2.483 -54.495 1.00 12.40 C ATOM 123 O HIS A 8 -23.669 -2.650 -55.574 1.00 22.00 O ATOM 124 CB HIS A 8 -25.469 -4.409 -53.480 1.00 32.05 C ATOM 125 CG HIS A 8 -24.430 -5.337 -54.052 1.00 21.35 C ATOM 126 ND1 HIS A 8 -23.159 -5.455 -53.531 1.00 12.31 N ATOM 127 CD2 HIS A 8 -24.481 -6.195 -55.101 1.00 33.13 C ATOM 128 CE1 HIS A 8 -22.475 -6.340 -54.232 1.00 71.32 C ATOM 129 NE2 HIS A 8 -23.253 -6.806 -55.189 1.00 14.55 N ATOM 0 H HIS A 8 -25.735 -3.277 -56.335 1.00 21.43 H new ATOM 0 HA HIS A 8 -26.218 -2.394 -53.650 1.00 5.40 H new ATOM 0 HB2 HIS A 8 -25.211 -4.187 -52.445 1.00 32.05 H new ATOM 0 HB3 HIS A 8 -26.430 -4.923 -53.465 1.00 32.05 H new ATOM 0 HD1 HIS A 8 -22.802 -4.938 -52.727 1.00 12.31 H new ATOM 0 HD2 HIS A 8 -25.329 -6.366 -55.747 1.00 33.13 H new ATOM 0 HE1 HIS A 8 -21.451 -6.633 -54.052 1.00 71.32 H new ATOM 138 N MET A 9 -23.737 -1.778 -53.492 1.00 14.33 N ATOM 139 CA MET A 9 -22.365 -1.272 -53.501 1.00 10.20 C ATOM 140 C MET A 9 -21.451 -2.277 -52.805 1.00 4.43 C ATOM 141 O MET A 9 -21.910 -3.332 -52.352 1.00 62.05 O ATOM 142 CB MET A 9 -22.287 0.095 -52.801 1.00 34.12 C ATOM 143 CG MET A 9 -23.048 1.203 -53.522 1.00 74.25 C ATOM 144 SD MET A 9 -22.338 1.607 -55.134 1.00 10.14 S ATOM 145 CE MET A 9 -20.733 2.248 -54.653 1.00 71.55 C ATOM 0 H MET A 9 -24.261 -1.540 -52.650 1.00 14.33 H new ATOM 0 HA MET A 9 -22.040 -1.142 -54.533 1.00 10.20 H new ATOM 0 HB2 MET A 9 -22.680 -0.003 -51.789 1.00 34.12 H new ATOM 0 HB3 MET A 9 -21.241 0.386 -52.710 1.00 34.12 H new ATOM 0 HG2 MET A 9 -24.086 0.898 -53.654 1.00 74.25 H new ATOM 0 HG3 MET A 9 -23.055 2.097 -52.899 1.00 74.25 H new ATOM 0 HE1 MET A 9 -20.326 2.854 -55.462 1.00 71.55 H new ATOM 0 HE2 MET A 9 -20.839 2.862 -53.758 1.00 71.55 H new ATOM 0 HE3 MET A 9 -20.057 1.418 -54.446 1.00 71.55 H new ATOM 155 N GLY A 10 -20.163 -1.963 -52.726 1.00 32.43 N ATOM 156 CA GLY A 10 -19.224 -2.845 -52.060 1.00 33.53 C ATOM 157 C GLY A 10 -17.813 -2.302 -52.090 1.00 23.23 C ATOM 158 O GLY A 10 -17.310 -1.933 -53.152 1.00 62.21 O ATOM 0 H GLY A 10 -19.752 -1.113 -53.112 1.00 32.43 H new ATOM 0 HA2 GLY A 10 -19.534 -2.989 -51.025 1.00 33.53 H new ATOM 0 HA3 GLY A 10 -19.245 -3.824 -52.538 1.00 33.53 H new ATOM 162 N THR A 11 -17.182 -2.232 -50.922 1.00 34.53 N ATOM 163 CA THR A 11 -15.803 -1.772 -50.817 1.00 13.23 C ATOM 164 C THR A 11 -14.831 -2.849 -51.305 1.00 32.22 C ATOM 165 O THR A 11 -14.952 -4.021 -50.931 1.00 32.32 O ATOM 166 CB THR A 11 -15.458 -1.391 -49.359 1.00 72.22 C ATOM 167 OG1 THR A 11 -15.756 -2.490 -48.485 1.00 34.23 O ATOM 168 CG2 THR A 11 -16.238 -0.157 -48.916 1.00 74.25 C ATOM 0 H THR A 11 -17.607 -2.490 -50.031 1.00 34.53 H new ATOM 0 HA THR A 11 -15.702 -0.889 -51.448 1.00 13.23 H new ATOM 0 HB THR A 11 -14.394 -1.161 -49.309 1.00 72.22 H new ATOM 0 HG1 THR A 11 -15.534 -2.244 -47.563 1.00 34.23 H new ATOM 0 HG21 THR A 11 -15.976 0.089 -47.887 1.00 74.25 H new ATOM 0 HG22 THR A 11 -15.989 0.683 -49.564 1.00 74.25 H new ATOM 0 HG23 THR A 11 -17.307 -0.360 -48.980 1.00 74.25 H new ATOM 176 N LEU A 12 -13.876 -2.447 -52.139 1.00 71.50 N ATOM 177 CA LEU A 12 -12.868 -3.367 -52.654 1.00 51.12 C ATOM 178 C LEU A 12 -11.961 -3.836 -51.523 1.00 2.41 C ATOM 179 O LEU A 12 -11.732 -5.035 -51.354 1.00 51.53 O ATOM 180 CB LEU A 12 -12.040 -2.706 -53.772 1.00 41.54 C ATOM 181 CG LEU A 12 -12.786 -2.461 -55.100 1.00 1.12 C ATOM 182 CD1 LEU A 12 -13.393 -3.759 -55.629 1.00 2.03 C ATOM 183 CD2 LEU A 12 -13.858 -1.382 -54.945 1.00 4.44 C ATOM 0 H LEU A 12 -13.780 -1.488 -52.473 1.00 71.50 H new ATOM 0 HA LEU A 12 -13.376 -4.232 -53.079 1.00 51.12 H new ATOM 0 HB2 LEU A 12 -11.665 -1.750 -53.405 1.00 41.54 H new ATOM 0 HB3 LEU A 12 -11.171 -3.332 -53.975 1.00 41.54 H new ATOM 0 HG LEU A 12 -12.059 -2.103 -55.828 1.00 1.12 H new ATOM 0 HD11 LEU A 12 -13.914 -3.562 -56.566 1.00 2.03 H new ATOM 0 HD12 LEU A 12 -12.601 -4.488 -55.801 1.00 2.03 H new ATOM 0 HD13 LEU A 12 -14.098 -4.155 -54.898 1.00 2.03 H new ATOM 0 HD21 LEU A 12 -14.365 -1.233 -55.898 1.00 4.44 H new ATOM 0 HD22 LEU A 12 -14.583 -1.695 -54.193 1.00 4.44 H new ATOM 0 HD23 LEU A 12 -13.391 -0.448 -54.633 1.00 4.44 H new ATOM 195 N GLU A 13 -11.463 -2.884 -50.740 1.00 71.43 N ATOM 196 CA GLU A 13 -10.627 -3.199 -49.586 1.00 21.04 C ATOM 197 C GLU A 13 -10.850 -2.201 -48.443 1.00 44.32 C ATOM 198 O GLU A 13 -10.946 -2.600 -47.281 1.00 71.34 O ATOM 199 CB GLU A 13 -9.138 -3.279 -49.991 1.00 3.43 C ATOM 200 CG GLU A 13 -8.712 -2.320 -51.104 1.00 72.42 C ATOM 201 CD GLU A 13 -8.859 -0.856 -50.733 1.00 50.02 C ATOM 202 OE1 GLU A 13 -8.107 -0.379 -49.863 1.00 21.45 O ATOM 203 OE2 GLU A 13 -9.750 -0.182 -51.290 1.00 62.43 O ATOM 0 H GLU A 13 -11.624 -1.887 -50.884 1.00 71.43 H new ATOM 0 HA GLU A 13 -10.923 -4.181 -49.215 1.00 21.04 H new ATOM 0 HB2 GLU A 13 -8.528 -3.081 -49.110 1.00 3.43 H new ATOM 0 HB3 GLU A 13 -8.919 -4.298 -50.308 1.00 3.43 H new ATOM 0 HG2 GLU A 13 -7.672 -2.518 -51.364 1.00 72.42 H new ATOM 0 HG3 GLU A 13 -9.307 -2.522 -51.994 1.00 72.42 H new ATOM 210 N ALA A 14 -10.947 -0.911 -48.783 1.00 72.45 N ATOM 211 CA ALA A 14 -11.143 0.155 -47.793 1.00 22.35 C ATOM 212 C ALA A 14 -10.122 0.053 -46.653 1.00 63.12 C ATOM 213 O ALA A 14 -10.443 0.320 -45.491 1.00 72.22 O ATOM 214 CB ALA A 14 -12.572 0.110 -47.251 1.00 2.03 C ATOM 0 H ALA A 14 -10.892 -0.577 -49.745 1.00 72.45 H new ATOM 0 HA ALA A 14 -10.985 1.114 -48.287 1.00 22.35 H new ATOM 0 HB1 ALA A 14 -12.708 0.904 -46.517 1.00 2.03 H new ATOM 0 HB2 ALA A 14 -13.277 0.249 -48.071 1.00 2.03 H new ATOM 0 HB3 ALA A 14 -12.751 -0.855 -46.778 1.00 2.03 H new ATOM 220 N GLN A 15 -8.890 -0.321 -46.992 1.00 2.04 N ATOM 221 CA GLN A 15 -7.853 -0.541 -45.987 1.00 24.44 C ATOM 222 C GLN A 15 -7.357 0.778 -45.399 1.00 22.42 C ATOM 223 O GLN A 15 -6.418 1.394 -45.911 1.00 65.33 O ATOM 224 CB GLN A 15 -6.689 -1.351 -46.573 1.00 35.54 C ATOM 225 CG GLN A 15 -7.074 -2.778 -46.949 1.00 1.34 C ATOM 226 CD GLN A 15 -5.909 -3.599 -47.473 1.00 30.44 C ATOM 227 OE1 GLN A 15 -4.971 -2.952 -48.148 1.00 73.05 O flip ATOM 228 NE2 GLN A 15 -5.861 -4.816 -47.286 1.00 13.14 N flip ATOM 0 H GLN A 15 -8.586 -0.478 -47.953 1.00 2.04 H new ATOM 0 HA GLN A 15 -8.296 -1.118 -45.175 1.00 24.44 H new ATOM 0 HB2 GLN A 15 -6.309 -0.840 -47.458 1.00 35.54 H new ATOM 0 HB3 GLN A 15 -5.875 -1.381 -45.848 1.00 35.54 H new ATOM 0 HG2 GLN A 15 -7.495 -3.275 -46.075 1.00 1.34 H new ATOM 0 HG3 GLN A 15 -7.857 -2.747 -47.707 1.00 1.34 H new ATOM 0 HE21 GLN A 15 -6.602 -5.281 -46.761 1.00 13.14 H new ATOM 0 HE22 GLN A 15 -5.081 -5.358 -47.656 1.00 13.14 H new ATOM 237 N THR A 16 -8.030 1.215 -44.340 1.00 51.14 N ATOM 238 CA THR A 16 -7.659 2.408 -43.591 1.00 52.51 C ATOM 239 C THR A 16 -7.703 2.094 -42.095 1.00 40.13 C ATOM 240 O THR A 16 -8.172 2.898 -41.284 1.00 51.13 O ATOM 241 CB THR A 16 -8.619 3.580 -43.914 1.00 11.31 C ATOM 242 OG1 THR A 16 -9.982 3.171 -43.711 1.00 65.40 O ATOM 243 CG2 THR A 16 -8.442 4.060 -45.350 1.00 41.52 C ATOM 0 H THR A 16 -8.858 0.745 -43.974 1.00 51.14 H new ATOM 0 HA THR A 16 -6.650 2.707 -43.876 1.00 52.51 H new ATOM 0 HB THR A 16 -8.378 4.404 -43.242 1.00 11.31 H new ATOM 0 HG1 THR A 16 -10.582 3.918 -43.916 1.00 65.40 H new ATOM 0 HG21 THR A 16 -9.130 4.883 -45.546 1.00 41.52 H new ATOM 0 HG22 THR A 16 -7.417 4.401 -45.496 1.00 41.52 H new ATOM 0 HG23 THR A 16 -8.653 3.240 -46.036 1.00 41.52 H new ATOM 251 N GLN A 17 -7.205 0.906 -41.751 1.00 32.42 N ATOM 252 CA GLN A 17 -7.256 0.393 -40.381 1.00 51.23 C ATOM 253 C GLN A 17 -6.695 1.406 -39.376 1.00 30.41 C ATOM 254 O GLN A 17 -5.653 2.028 -39.611 1.00 31.24 O ATOM 255 CB GLN A 17 -6.497 -0.947 -40.271 1.00 54.23 C ATOM 256 CG GLN A 17 -4.974 -0.847 -40.426 1.00 74.01 C ATOM 257 CD GLN A 17 -4.526 -0.383 -41.805 1.00 13.51 C ATOM 258 OE1 GLN A 17 -5.193 -0.637 -42.812 1.00 30.33 O ATOM 259 NE2 GLN A 17 -3.386 0.289 -41.860 1.00 74.31 N ATOM 0 H GLN A 17 -6.756 0.273 -42.413 1.00 32.42 H new ATOM 0 HA GLN A 17 -8.304 0.225 -40.135 1.00 51.23 H new ATOM 0 HB2 GLN A 17 -6.719 -1.394 -39.302 1.00 54.23 H new ATOM 0 HB3 GLN A 17 -6.880 -1.627 -41.032 1.00 54.23 H new ATOM 0 HG2 GLN A 17 -4.586 -0.157 -39.677 1.00 74.01 H new ATOM 0 HG3 GLN A 17 -4.532 -1.822 -40.220 1.00 74.01 H new ATOM 0 HE21 GLN A 17 -2.864 0.479 -41.004 1.00 74.31 H new ATOM 0 HE22 GLN A 17 -3.030 0.617 -42.758 1.00 74.31 H new ATOM 268 N GLY A 18 -7.402 1.570 -38.262 1.00 45.01 N ATOM 269 CA GLY A 18 -6.982 2.501 -37.230 1.00 32.05 C ATOM 270 C GLY A 18 -8.101 3.436 -36.821 1.00 22.41 C ATOM 271 O GLY A 18 -9.155 3.457 -37.460 1.00 30.02 O ATOM 0 H GLY A 18 -8.266 1.070 -38.055 1.00 45.01 H new ATOM 0 HA2 GLY A 18 -6.637 1.945 -36.358 1.00 32.05 H new ATOM 0 HA3 GLY A 18 -6.135 3.085 -37.591 1.00 32.05 H new ATOM 275 N PRO A 19 -7.896 4.233 -35.760 1.00 55.32 N ATOM 276 CA PRO A 19 -8.887 5.205 -35.280 1.00 11.14 C ATOM 277 C PRO A 19 -8.817 6.500 -36.087 1.00 0.34 C ATOM 278 O PRO A 19 -8.949 7.603 -35.550 1.00 64.54 O ATOM 279 CB PRO A 19 -8.447 5.431 -33.832 1.00 61.35 C ATOM 280 CG PRO A 19 -6.961 5.285 -33.872 1.00 20.44 C ATOM 281 CD PRO A 19 -6.664 4.258 -34.941 1.00 71.31 C ATOM 0 HA PRO A 19 -9.918 4.864 -35.373 1.00 11.14 H new ATOM 0 HB2 PRO A 19 -8.740 6.419 -33.476 1.00 61.35 H new ATOM 0 HB3 PRO A 19 -8.901 4.703 -33.160 1.00 61.35 H new ATOM 0 HG2 PRO A 19 -6.483 6.237 -34.104 1.00 20.44 H new ATOM 0 HG3 PRO A 19 -6.576 4.962 -32.905 1.00 20.44 H new ATOM 0 HD2 PRO A 19 -5.795 4.539 -35.535 1.00 71.31 H new ATOM 0 HD3 PRO A 19 -6.452 3.280 -34.508 1.00 71.31 H new ATOM 289 N GLY A 20 -8.645 6.334 -37.392 1.00 10.05 N ATOM 290 CA GLY A 20 -8.364 7.437 -38.283 1.00 74.10 C ATOM 291 C GLY A 20 -7.109 7.152 -39.075 1.00 65.13 C ATOM 292 O GLY A 20 -6.095 6.767 -38.494 1.00 74.44 O ATOM 0 H GLY A 20 -8.698 5.428 -37.857 1.00 10.05 H new ATOM 0 HA2 GLY A 20 -9.204 7.592 -38.960 1.00 74.10 H new ATOM 0 HA3 GLY A 20 -8.242 8.356 -37.710 1.00 74.10 H new ATOM 296 N SER A 21 -7.181 7.309 -40.396 1.00 30.53 N ATOM 297 CA SER A 21 -6.072 6.961 -41.281 1.00 4.43 C ATOM 298 C SER A 21 -4.756 7.604 -40.817 1.00 25.13 C ATOM 299 O SER A 21 -4.585 8.822 -40.912 1.00 5.22 O ATOM 300 CB SER A 21 -6.402 7.378 -42.720 1.00 44.22 C ATOM 301 OG SER A 21 -6.816 8.735 -42.791 1.00 33.34 O ATOM 0 H SER A 21 -8.001 7.677 -40.878 1.00 30.53 H new ATOM 0 HA SER A 21 -5.935 5.880 -41.246 1.00 4.43 H new ATOM 0 HB2 SER A 21 -5.526 7.231 -43.352 1.00 44.22 H new ATOM 0 HB3 SER A 21 -7.190 6.736 -43.114 1.00 44.22 H new ATOM 0 HG SER A 21 -6.292 9.270 -42.159 1.00 33.34 H new ATOM 307 N PRO A 22 -3.810 6.790 -40.301 1.00 74.53 N ATOM 308 CA PRO A 22 -2.521 7.273 -39.787 1.00 53.05 C ATOM 309 C PRO A 22 -1.543 7.604 -40.919 1.00 14.45 C ATOM 310 O PRO A 22 -0.349 7.299 -40.843 1.00 2.32 O ATOM 311 CB PRO A 22 -2.003 6.089 -38.933 1.00 32.50 C ATOM 312 CG PRO A 22 -3.111 5.078 -38.917 1.00 73.23 C ATOM 313 CD PRO A 22 -3.917 5.331 -40.160 1.00 50.00 C ATOM 0 HA PRO A 22 -2.622 8.198 -39.220 1.00 53.05 H new ATOM 0 HB2 PRO A 22 -1.095 5.666 -39.362 1.00 32.50 H new ATOM 0 HB3 PRO A 22 -1.757 6.415 -37.922 1.00 32.50 H new ATOM 0 HG2 PRO A 22 -2.714 4.063 -38.909 1.00 73.23 H new ATOM 0 HG3 PRO A 22 -3.726 5.187 -38.024 1.00 73.23 H new ATOM 0 HD2 PRO A 22 -3.510 4.806 -41.024 1.00 50.00 H new ATOM 0 HD3 PRO A 22 -4.952 5.006 -40.049 1.00 50.00 H new ATOM 321 N GLU A 23 -2.050 8.249 -41.958 1.00 31.13 N ATOM 322 CA GLU A 23 -1.250 8.586 -43.126 1.00 2.43 C ATOM 323 C GLU A 23 -0.283 9.720 -42.796 1.00 50.22 C ATOM 324 O GLU A 23 -0.703 10.819 -42.429 1.00 63.33 O ATOM 325 CB GLU A 23 -2.167 8.974 -44.293 1.00 32.34 C ATOM 326 CG GLU A 23 -3.216 7.911 -44.625 1.00 31.05 C ATOM 327 CD GLU A 23 -2.605 6.577 -45.040 1.00 11.01 C ATOM 328 OE1 GLU A 23 -2.165 5.808 -44.156 1.00 72.13 O ATOM 329 OE2 GLU A 23 -2.560 6.293 -46.255 1.00 31.24 O ATOM 0 H GLU A 23 -3.022 8.552 -42.016 1.00 31.13 H new ATOM 0 HA GLU A 23 -0.664 7.715 -43.420 1.00 2.43 H new ATOM 0 HB2 GLU A 23 -2.673 9.909 -44.052 1.00 32.34 H new ATOM 0 HB3 GLU A 23 -1.557 9.160 -45.177 1.00 32.34 H new ATOM 0 HG2 GLU A 23 -3.855 7.756 -43.756 1.00 31.05 H new ATOM 0 HG3 GLU A 23 -3.854 8.277 -45.429 1.00 31.05 H new ATOM 336 N GLY A 24 1.011 9.436 -42.906 1.00 33.14 N ATOM 337 CA GLY A 24 2.028 10.432 -42.614 1.00 73.02 C ATOM 338 C GLY A 24 2.608 10.280 -41.220 1.00 74.44 C ATOM 339 O GLY A 24 3.473 11.062 -40.812 1.00 72.20 O ATOM 0 H GLY A 24 1.376 8.528 -43.194 1.00 33.14 H new ATOM 0 HA2 GLY A 24 2.830 10.354 -43.348 1.00 73.02 H new ATOM 0 HA3 GLY A 24 1.597 11.428 -42.718 1.00 73.02 H new ATOM 343 N VAL A 25 2.139 9.277 -40.481 1.00 72.40 N ATOM 344 CA VAL A 25 2.630 9.023 -39.128 1.00 22.33 C ATOM 345 C VAL A 25 2.731 7.518 -38.857 1.00 61.30 C ATOM 346 O VAL A 25 1.818 6.753 -39.185 1.00 30.12 O ATOM 347 CB VAL A 25 1.739 9.713 -38.056 1.00 54.23 C ATOM 348 CG1 VAL A 25 0.266 9.381 -38.267 1.00 44.42 C ATOM 349 CG2 VAL A 25 2.176 9.345 -36.638 1.00 24.31 C ATOM 0 H VAL A 25 1.419 8.627 -40.796 1.00 72.40 H new ATOM 0 HA VAL A 25 3.628 9.455 -39.057 1.00 22.33 H new ATOM 0 HB VAL A 25 1.867 10.789 -38.175 1.00 54.23 H new ATOM 0 HG11 VAL A 25 -0.332 9.877 -37.503 1.00 44.42 H new ATOM 0 HG12 VAL A 25 -0.047 9.725 -39.253 1.00 44.42 H new ATOM 0 HG13 VAL A 25 0.122 8.303 -38.197 1.00 44.42 H new ATOM 0 HG21 VAL A 25 1.530 9.846 -35.917 1.00 24.31 H new ATOM 0 HG22 VAL A 25 2.102 8.266 -36.503 1.00 24.31 H new ATOM 0 HG23 VAL A 25 3.208 9.660 -36.482 1.00 24.31 H new ATOM 359 N PRO A 26 3.867 7.080 -38.286 1.00 53.20 N ATOM 360 CA PRO A 26 4.100 5.673 -37.939 1.00 53.23 C ATOM 361 C PRO A 26 3.379 5.270 -36.646 1.00 63.22 C ATOM 362 O PRO A 26 2.960 6.137 -35.874 1.00 4.41 O ATOM 363 CB PRO A 26 5.622 5.620 -37.753 1.00 71.45 C ATOM 364 CG PRO A 26 5.981 6.982 -37.259 1.00 61.30 C ATOM 365 CD PRO A 26 5.026 7.932 -37.939 1.00 20.30 C ATOM 0 HA PRO A 26 3.722 4.985 -38.696 1.00 53.23 H new ATOM 0 HB2 PRO A 26 5.909 4.849 -37.038 1.00 71.45 H new ATOM 0 HB3 PRO A 26 6.129 5.390 -38.690 1.00 71.45 H new ATOM 0 HG2 PRO A 26 5.886 7.042 -36.175 1.00 61.30 H new ATOM 0 HG3 PRO A 26 7.015 7.226 -37.503 1.00 61.30 H new ATOM 0 HD2 PRO A 26 4.738 8.750 -37.279 1.00 20.30 H new ATOM 0 HD3 PRO A 26 5.472 8.381 -38.826 1.00 20.30 H new ATOM 373 N PRO A 27 3.207 3.952 -36.405 1.00 22.12 N ATOM 374 CA PRO A 27 2.590 3.446 -35.169 1.00 12.14 C ATOM 375 C PRO A 27 3.289 3.982 -33.917 1.00 32.44 C ATOM 376 O PRO A 27 4.515 3.910 -33.796 1.00 51.44 O ATOM 377 CB PRO A 27 2.756 1.920 -35.280 1.00 2.02 C ATOM 378 CG PRO A 27 2.864 1.663 -36.747 1.00 33.14 C ATOM 379 CD PRO A 27 3.589 2.853 -37.317 1.00 24.33 C ATOM 0 HA PRO A 27 1.551 3.760 -35.069 1.00 12.14 H new ATOM 0 HB2 PRO A 27 3.645 1.578 -34.750 1.00 2.02 H new ATOM 0 HB3 PRO A 27 1.905 1.395 -34.846 1.00 2.02 H new ATOM 0 HG2 PRO A 27 3.410 0.741 -36.944 1.00 33.14 H new ATOM 0 HG3 PRO A 27 1.878 1.552 -37.199 1.00 33.14 H new ATOM 0 HD2 PRO A 27 4.668 2.698 -37.331 1.00 24.33 H new ATOM 0 HD3 PRO A 27 3.283 3.057 -38.343 1.00 24.33 H new ATOM 387 N THR A 28 2.499 4.530 -33.004 1.00 45.53 N ATOM 388 CA THR A 28 3.017 5.115 -31.778 1.00 23.35 C ATOM 389 C THR A 28 3.384 4.028 -30.766 1.00 32.41 C ATOM 390 O THR A 28 3.038 2.858 -30.947 1.00 52.34 O ATOM 391 CB THR A 28 1.975 6.079 -31.162 1.00 42.45 C ATOM 392 OG1 THR A 28 0.720 5.405 -30.991 1.00 3.44 O ATOM 393 CG2 THR A 28 1.776 7.306 -32.051 1.00 14.13 C ATOM 0 H THR A 28 1.484 4.581 -33.093 1.00 45.53 H new ATOM 0 HA THR A 28 3.919 5.675 -32.025 1.00 23.35 H new ATOM 0 HB THR A 28 2.349 6.406 -30.192 1.00 42.45 H new ATOM 0 HG1 THR A 28 0.491 5.376 -30.039 1.00 3.44 H new ATOM 0 HG21 THR A 28 1.039 7.969 -31.597 1.00 14.13 H new ATOM 0 HG22 THR A 28 2.723 7.835 -32.158 1.00 14.13 H new ATOM 0 HG23 THR A 28 1.424 6.990 -33.033 1.00 14.13 H new ATOM 401 N ASP A 29 4.083 4.414 -29.699 1.00 43.22 N ATOM 402 CA ASP A 29 4.479 3.463 -28.667 1.00 33.15 C ATOM 403 C ASP A 29 3.294 3.189 -27.762 1.00 10.15 C ATOM 404 O ASP A 29 2.936 2.039 -27.506 1.00 40.43 O ATOM 405 CB ASP A 29 5.657 4.000 -27.847 1.00 41.45 C ATOM 406 CG ASP A 29 6.066 3.052 -26.725 1.00 41.33 C ATOM 407 OD1 ASP A 29 6.676 1.999 -27.020 1.00 53.41 O ATOM 408 OD2 ASP A 29 5.785 3.356 -25.543 1.00 72.33 O ATOM 0 H ASP A 29 4.384 5.374 -29.529 1.00 43.22 H new ATOM 0 HA ASP A 29 4.799 2.537 -29.145 1.00 33.15 H new ATOM 0 HB2 ASP A 29 6.509 4.167 -28.506 1.00 41.45 H new ATOM 0 HB3 ASP A 29 5.389 4.967 -27.422 1.00 41.45 H new ATOM 413 N ARG A 30 2.683 4.263 -27.282 1.00 41.34 N ATOM 414 CA ARG A 30 1.438 4.156 -26.546 1.00 50.12 C ATOM 415 C ARG A 30 0.277 4.183 -27.537 1.00 1.41 C ATOM 416 O ARG A 30 -0.138 5.242 -28.018 1.00 73.43 O ATOM 417 CB ARG A 30 1.308 5.250 -25.460 1.00 54.12 C ATOM 418 CG ARG A 30 1.271 6.699 -25.961 1.00 21.54 C ATOM 419 CD ARG A 30 2.645 7.201 -26.384 1.00 40.24 C ATOM 420 NE ARG A 30 3.615 7.150 -25.288 1.00 70.52 N ATOM 421 CZ ARG A 30 4.933 7.297 -25.447 1.00 52.34 C ATOM 422 NH1 ARG A 30 5.449 7.482 -26.658 1.00 32.25 N ATOM 423 NH2 ARG A 30 5.734 7.261 -24.391 1.00 22.53 N ATOM 0 H ARG A 30 3.031 5.216 -27.390 1.00 41.34 H new ATOM 0 HA ARG A 30 1.421 3.209 -26.007 1.00 50.12 H new ATOM 0 HB2 ARG A 30 0.398 5.061 -24.890 1.00 54.12 H new ATOM 0 HB3 ARG A 30 2.144 5.148 -24.768 1.00 54.12 H new ATOM 0 HG2 ARG A 30 0.585 6.772 -26.805 1.00 21.54 H new ATOM 0 HG3 ARG A 30 0.878 7.343 -25.174 1.00 21.54 H new ATOM 0 HD2 ARG A 30 3.009 6.600 -27.217 1.00 40.24 H new ATOM 0 HD3 ARG A 30 2.560 8.226 -26.744 1.00 40.24 H new ATOM 0 HE ARG A 30 3.262 6.992 -24.344 1.00 70.52 H new ATOM 0 HH11 ARG A 30 4.837 7.513 -27.474 1.00 32.25 H new ATOM 0 HH12 ARG A 30 6.457 7.593 -26.771 1.00 32.25 H new ATOM 0 HH21 ARG A 30 5.343 7.121 -23.459 1.00 22.53 H new ATOM 0 HH22 ARG A 30 6.741 7.373 -24.510 1.00 22.53 H new ATOM 437 N PHE A 31 -0.190 2.991 -27.890 1.00 5.02 N ATOM 438 CA PHE A 31 -1.266 2.828 -28.863 1.00 30.21 C ATOM 439 C PHE A 31 -2.508 3.615 -28.438 1.00 11.12 C ATOM 440 O PHE A 31 -2.736 3.826 -27.244 1.00 60.42 O ATOM 441 CB PHE A 31 -1.595 1.336 -29.030 1.00 54.15 C ATOM 442 CG PHE A 31 -0.439 0.524 -29.564 1.00 41.22 C ATOM 443 CD1 PHE A 31 -0.126 0.548 -30.917 1.00 24.24 C ATOM 444 CD2 PHE A 31 0.336 -0.258 -28.717 1.00 64.33 C ATOM 445 CE1 PHE A 31 0.935 -0.188 -31.411 1.00 62.10 C ATOM 446 CE2 PHE A 31 1.397 -0.997 -29.207 1.00 34.10 C ATOM 447 CZ PHE A 31 1.697 -0.962 -30.555 1.00 23.03 C ATOM 0 H PHE A 31 0.164 2.112 -27.512 1.00 5.02 H new ATOM 0 HA PHE A 31 -0.935 3.224 -29.823 1.00 30.21 H new ATOM 0 HB2 PHE A 31 -1.901 0.929 -28.066 1.00 54.15 H new ATOM 0 HB3 PHE A 31 -2.445 1.232 -29.705 1.00 54.15 H new ATOM 0 HD1 PHE A 31 -0.718 1.149 -31.591 1.00 24.24 H new ATOM 0 HD2 PHE A 31 0.107 -0.289 -27.662 1.00 64.33 H new ATOM 0 HE1 PHE A 31 1.169 -0.158 -32.465 1.00 62.10 H new ATOM 0 HE2 PHE A 31 1.991 -1.601 -28.537 1.00 34.10 H new ATOM 0 HZ PHE A 31 2.525 -1.538 -30.940 1.00 23.03 H new ATOM 457 N PRO A 32 -3.343 4.041 -29.409 1.00 23.40 N ATOM 458 CA PRO A 32 -4.509 4.910 -29.146 1.00 61.21 C ATOM 459 C PRO A 32 -5.637 4.211 -28.376 1.00 12.12 C ATOM 460 O PRO A 32 -6.770 4.700 -28.343 1.00 45.31 O ATOM 461 CB PRO A 32 -4.976 5.305 -30.554 1.00 34.33 C ATOM 462 CG PRO A 32 -4.526 4.181 -31.424 1.00 12.11 C ATOM 463 CD PRO A 32 -3.218 3.716 -30.847 1.00 51.11 C ATOM 0 HA PRO A 32 -4.240 5.753 -28.510 1.00 61.21 H new ATOM 0 HB2 PRO A 32 -6.058 5.429 -30.593 1.00 34.33 H new ATOM 0 HB3 PRO A 32 -4.535 6.251 -30.868 1.00 34.33 H new ATOM 0 HG2 PRO A 32 -5.259 3.374 -31.431 1.00 12.11 H new ATOM 0 HG3 PRO A 32 -4.403 4.510 -32.456 1.00 12.11 H new ATOM 0 HD2 PRO A 32 -3.066 2.648 -31.006 1.00 51.11 H new ATOM 0 HD3 PRO A 32 -2.372 4.230 -31.303 1.00 51.11 H new ATOM 471 N LEU A 33 -5.331 3.070 -27.763 1.00 21.14 N ATOM 472 CA LEU A 33 -6.291 2.369 -26.920 1.00 43.40 C ATOM 473 C LEU A 33 -6.090 2.782 -25.470 1.00 31.24 C ATOM 474 O LEU A 33 -4.990 2.656 -24.929 1.00 3.30 O ATOM 475 CB LEU A 33 -6.154 0.844 -27.039 1.00 65.01 C ATOM 476 CG LEU A 33 -6.452 0.241 -28.427 1.00 10.43 C ATOM 477 CD1 LEU A 33 -7.818 0.698 -28.937 1.00 12.42 C ATOM 478 CD2 LEU A 33 -5.351 0.586 -29.432 1.00 72.02 C ATOM 0 H LEU A 33 -4.423 2.612 -27.836 1.00 21.14 H new ATOM 0 HA LEU A 33 -7.291 2.642 -27.258 1.00 43.40 H new ATOM 0 HB2 LEU A 33 -5.138 0.568 -26.756 1.00 65.01 H new ATOM 0 HB3 LEU A 33 -6.824 0.382 -26.314 1.00 65.01 H new ATOM 0 HG LEU A 33 -6.474 -0.843 -28.320 1.00 10.43 H new ATOM 0 HD11 LEU A 33 -8.006 0.260 -29.917 1.00 12.42 H new ATOM 0 HD12 LEU A 33 -8.593 0.376 -28.241 1.00 12.42 H new ATOM 0 HD13 LEU A 33 -7.832 1.785 -29.017 1.00 12.42 H new ATOM 0 HD21 LEU A 33 -5.591 0.146 -30.400 1.00 72.02 H new ATOM 0 HD22 LEU A 33 -5.277 1.669 -29.534 1.00 72.02 H new ATOM 0 HD23 LEU A 33 -4.399 0.189 -29.079 1.00 72.02 H new ATOM 490 N LEU A 34 -7.152 3.283 -24.854 1.00 14.54 N ATOM 491 CA LEU A 34 -7.107 3.725 -23.458 1.00 1.15 C ATOM 492 C LEU A 34 -7.722 2.671 -22.541 1.00 23.24 C ATOM 493 O LEU A 34 -7.745 2.830 -21.316 1.00 75.43 O ATOM 494 CB LEU A 34 -7.836 5.069 -23.282 1.00 54.33 C ATOM 495 CG LEU A 34 -7.098 6.314 -23.819 1.00 63.34 C ATOM 496 CD1 LEU A 34 -6.954 6.267 -25.337 1.00 52.15 C ATOM 497 CD2 LEU A 34 -7.816 7.589 -23.384 1.00 55.35 C ATOM 0 H LEU A 34 -8.063 3.396 -25.299 1.00 14.54 H new ATOM 0 HA LEU A 34 -6.061 3.862 -23.184 1.00 1.15 H new ATOM 0 HB2 LEU A 34 -8.804 5.003 -23.779 1.00 54.33 H new ATOM 0 HB3 LEU A 34 -8.032 5.217 -22.220 1.00 54.33 H new ATOM 0 HG LEU A 34 -6.095 6.316 -23.393 1.00 63.34 H new ATOM 0 HD11 LEU A 34 -6.430 7.159 -25.681 1.00 52.15 H new ATOM 0 HD12 LEU A 34 -6.387 5.381 -25.621 1.00 52.15 H new ATOM 0 HD13 LEU A 34 -7.942 6.228 -25.795 1.00 52.15 H new ATOM 0 HD21 LEU A 34 -7.282 8.457 -23.771 1.00 55.35 H new ATOM 0 HD22 LEU A 34 -8.834 7.585 -23.774 1.00 55.35 H new ATOM 0 HD23 LEU A 34 -7.845 7.637 -22.295 1.00 55.35 H new ATOM 509 N ALA A 35 -8.246 1.609 -23.142 1.00 40.20 N ATOM 510 CA ALA A 35 -8.756 0.476 -22.386 1.00 32.23 C ATOM 511 C ALA A 35 -7.604 -0.259 -21.706 1.00 54.11 C ATOM 512 O ALA A 35 -6.956 -1.114 -22.310 1.00 20.41 O ATOM 513 CB ALA A 35 -9.535 -0.466 -23.297 1.00 0.34 C ATOM 0 H ALA A 35 -8.328 1.511 -24.154 1.00 40.20 H new ATOM 0 HA ALA A 35 -9.436 0.843 -21.617 1.00 32.23 H new ATOM 0 HB1 ALA A 35 -9.909 -1.308 -22.715 1.00 0.34 H new ATOM 0 HB2 ALA A 35 -10.374 0.069 -23.742 1.00 0.34 H new ATOM 0 HB3 ALA A 35 -8.879 -0.834 -24.086 1.00 0.34 H new ATOM 519 N LEU A 36 -7.350 0.092 -20.450 1.00 11.44 N ATOM 520 CA LEU A 36 -6.244 -0.484 -19.686 1.00 70.21 C ATOM 521 C LEU A 36 -6.643 -1.836 -19.089 1.00 54.41 C ATOM 522 O LEU A 36 -5.956 -2.368 -18.211 1.00 32.22 O ATOM 523 CB LEU A 36 -5.820 0.482 -18.570 1.00 21.24 C ATOM 524 CG LEU A 36 -5.418 1.893 -19.036 1.00 12.54 C ATOM 525 CD1 LEU A 36 -5.027 2.766 -17.847 1.00 32.02 C ATOM 526 CD2 LEU A 36 -4.280 1.825 -20.055 1.00 4.31 C ATOM 0 H LEU A 36 -7.900 0.779 -19.934 1.00 11.44 H new ATOM 0 HA LEU A 36 -5.403 -0.643 -20.361 1.00 70.21 H new ATOM 0 HB2 LEU A 36 -6.642 0.573 -17.860 1.00 21.24 H new ATOM 0 HB3 LEU A 36 -4.980 0.042 -18.032 1.00 21.24 H new ATOM 0 HG LEU A 36 -6.282 2.347 -19.521 1.00 12.54 H new ATOM 0 HD11 LEU A 36 -4.747 3.758 -18.201 1.00 32.02 H new ATOM 0 HD12 LEU A 36 -5.872 2.850 -17.164 1.00 32.02 H new ATOM 0 HD13 LEU A 36 -4.183 2.315 -17.326 1.00 32.02 H new ATOM 0 HD21 LEU A 36 -4.013 2.834 -20.370 1.00 4.31 H new ATOM 0 HD22 LEU A 36 -3.413 1.345 -19.601 1.00 4.31 H new ATOM 0 HD23 LEU A 36 -4.602 1.248 -20.922 1.00 4.31 H new ATOM 538 N LEU A 37 -7.756 -2.383 -19.577 1.00 13.52 N ATOM 539 CA LEU A 37 -8.261 -3.672 -19.123 1.00 21.25 C ATOM 540 C LEU A 37 -7.296 -4.793 -19.518 1.00 14.11 C ATOM 541 O LEU A 37 -7.402 -5.376 -20.601 1.00 53.31 O ATOM 542 CB LEU A 37 -9.656 -3.926 -19.715 1.00 71.04 C ATOM 543 CG LEU A 37 -10.396 -5.163 -19.173 1.00 45.01 C ATOM 544 CD1 LEU A 37 -10.691 -5.010 -17.683 1.00 73.25 C ATOM 545 CD2 LEU A 37 -11.684 -5.409 -19.960 1.00 10.31 C ATOM 0 H LEU A 37 -8.330 -1.944 -20.297 1.00 13.52 H new ATOM 0 HA LEU A 37 -8.340 -3.657 -18.036 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -10.274 -3.047 -19.532 1.00 71.04 H new ATOM 0 HB3 LEU A 37 -9.559 -4.028 -20.796 1.00 71.04 H new ATOM 0 HG LEU A 37 -9.748 -6.030 -19.301 1.00 45.01 H new ATOM 0 HD11 LEU A 37 -11.214 -5.896 -17.323 1.00 73.25 H new ATOM 0 HD12 LEU A 37 -9.755 -4.894 -17.137 1.00 73.25 H new ATOM 0 HD13 LEU A 37 -11.315 -4.131 -17.524 1.00 73.25 H new ATOM 0 HD21 LEU A 37 -12.192 -6.287 -19.561 1.00 10.31 H new ATOM 0 HD22 LEU A 37 -12.337 -4.541 -19.870 1.00 10.31 H new ATOM 0 HD23 LEU A 37 -11.443 -5.575 -21.010 1.00 10.31 H new ATOM 557 N ARG A 38 -6.326 -5.055 -18.649 1.00 2.14 N ATOM 558 CA ARG A 38 -5.325 -6.093 -18.882 1.00 45.54 C ATOM 559 C ARG A 38 -5.467 -7.192 -17.844 1.00 2.05 C ATOM 560 O ARG A 38 -6.099 -6.986 -16.806 1.00 21.04 O ATOM 561 CB ARG A 38 -3.905 -5.503 -18.823 1.00 41.41 C ATOM 562 CG ARG A 38 -3.694 -4.286 -19.721 1.00 14.00 C ATOM 563 CD ARG A 38 -3.960 -4.597 -21.188 1.00 71.31 C ATOM 564 NE ARG A 38 -3.864 -3.396 -22.017 1.00 2.14 N ATOM 565 CZ ARG A 38 -4.607 -3.169 -23.101 1.00 52.02 C ATOM 566 NH1 ARG A 38 -5.469 -4.085 -23.533 1.00 34.34 N ATOM 567 NH2 ARG A 38 -4.475 -2.020 -23.749 1.00 41.24 N ATOM 0 H ARG A 38 -6.210 -4.557 -17.766 1.00 2.14 H new ATOM 0 HA ARG A 38 -5.487 -6.510 -19.876 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -3.683 -5.223 -17.793 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -3.190 -6.276 -19.105 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -4.353 -3.480 -19.398 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -2.671 -3.927 -19.608 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -3.244 -5.341 -21.539 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -4.952 -5.035 -21.294 1.00 71.31 H new ATOM 0 HE ARG A 38 -3.184 -2.685 -21.748 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -5.566 -4.970 -23.034 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -6.033 -3.903 -24.363 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -3.811 -1.321 -23.417 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -5.038 -1.835 -24.579 1.00 41.24 H new ATOM 581 N ARG A 39 -4.863 -8.344 -18.146 1.00 13.43 N ATOM 582 CA ARG A 39 -4.904 -9.534 -17.292 1.00 31.22 C ATOM 583 C ARG A 39 -6.301 -9.759 -16.705 1.00 12.54 C ATOM 584 O ARG A 39 -6.670 -9.285 -15.626 1.00 64.51 O ATOM 585 CB ARG A 39 -3.844 -9.482 -16.197 1.00 71.22 C ATOM 586 CG ARG A 39 -4.130 -8.456 -15.118 1.00 25.23 C ATOM 587 CD ARG A 39 -3.080 -8.491 -14.044 1.00 12.21 C ATOM 588 NE ARG A 39 -3.467 -7.718 -12.855 1.00 64.14 N ATOM 589 CZ ARG A 39 -3.175 -6.429 -12.661 1.00 40.21 C ATOM 590 NH1 ARG A 39 -2.476 -5.754 -13.565 1.00 72.51 N ATOM 591 NH2 ARG A 39 -3.585 -5.817 -11.556 1.00 72.23 N ATOM 0 H ARG A 39 -4.325 -8.478 -19.002 1.00 13.43 H new ATOM 0 HA ARG A 39 -4.673 -10.390 -17.926 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -3.762 -10.467 -15.737 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -2.878 -9.260 -16.650 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -4.169 -7.460 -15.560 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -5.109 -8.649 -14.680 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -2.893 -9.526 -13.756 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -2.145 -8.097 -14.441 1.00 12.21 H new ATOM 0 HE ARG A 39 -3.995 -8.199 -12.127 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -2.158 -6.219 -14.415 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -2.257 -4.770 -13.410 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -4.122 -6.331 -10.857 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -3.363 -4.833 -11.406 1.00 72.23 H new ATOM 605 N THR A 40 -7.059 -10.499 -17.443 1.00 21.32 N ATOM 606 CA THR A 40 -8.470 -10.738 -17.139 1.00 31.44 C ATOM 607 C THR A 40 -8.878 -12.179 -17.437 1.00 32.23 C ATOM 608 O THR A 40 -8.705 -12.665 -18.557 1.00 70.14 O ATOM 609 CB THR A 40 -9.382 -9.779 -17.943 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.031 -9.815 -19.336 1.00 2.42 O ATOM 611 CG2 THR A 40 -9.278 -8.343 -17.431 1.00 5.33 C ATOM 0 H THR A 40 -6.733 -10.969 -18.287 1.00 21.32 H new ATOM 0 HA THR A 40 -8.595 -10.552 -16.072 1.00 31.44 H new ATOM 0 HB THR A 40 -10.410 -10.116 -17.812 1.00 25.32 H new ATOM 0 HG1 THR A 40 -8.738 -10.719 -19.576 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.932 -7.699 -18.019 1.00 5.33 H new ATOM 0 HG22 THR A 40 -9.579 -8.307 -16.384 1.00 5.33 H new ATOM 0 HG23 THR A 40 -8.249 -7.997 -17.524 1.00 5.33 H new ATOM 619 N LEU A 41 -9.420 -12.855 -16.427 1.00 51.33 N ATOM 620 CA LEU A 41 -9.976 -14.191 -16.602 1.00 34.14 C ATOM 621 C LEU A 41 -11.491 -14.113 -16.722 1.00 43.22 C ATOM 622 O LEU A 41 -12.195 -13.905 -15.731 1.00 22.33 O ATOM 623 CB LEU A 41 -9.577 -15.119 -15.439 1.00 61.14 C ATOM 624 CG LEU A 41 -8.340 -15.997 -15.687 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.119 -15.142 -16.020 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.072 -16.894 -14.479 1.00 50.44 C ATOM 0 H LEU A 41 -9.485 -12.496 -15.475 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.567 -14.612 -17.520 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.396 -14.507 -14.555 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.422 -15.768 -15.209 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.539 -16.635 -16.548 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.258 -15.788 -16.191 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.318 -14.558 -16.918 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.908 -14.469 -15.189 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.193 -17.509 -14.671 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -7.897 -16.276 -13.598 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.934 -17.538 -14.305 1.00 50.44 H new ATOM 638 N THR A 42 -11.984 -14.232 -17.947 1.00 31.45 N ATOM 639 CA THR A 42 -13.414 -14.335 -18.183 1.00 23.21 C ATOM 640 C THR A 42 -13.880 -15.747 -17.822 1.00 63.23 C ATOM 641 O THR A 42 -13.048 -16.627 -17.581 1.00 44.05 O ATOM 642 CB THR A 42 -13.770 -14.012 -19.657 1.00 20.41 C ATOM 643 OG1 THR A 42 -15.192 -13.938 -19.818 1.00 73.40 O ATOM 644 CG2 THR A 42 -13.208 -15.061 -20.614 1.00 34.51 C ATOM 0 H THR A 42 -11.413 -14.259 -18.792 1.00 31.45 H new ATOM 0 HA THR A 42 -13.925 -13.604 -17.556 1.00 23.21 H new ATOM 0 HB THR A 42 -13.320 -13.049 -19.899 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.405 -13.732 -20.752 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.478 -14.801 -21.638 1.00 34.51 H new ATOM 0 HG22 THR A 42 -12.122 -15.093 -20.522 1.00 34.51 H new ATOM 0 HG23 THR A 42 -13.622 -16.038 -20.367 1.00 34.51 H new ATOM 652 N GLU A 43 -15.195 -15.965 -17.809 1.00 15.15 N ATOM 653 CA GLU A 43 -15.767 -17.244 -17.374 1.00 71.31 C ATOM 654 C GLU A 43 -15.106 -18.422 -18.082 1.00 12.12 C ATOM 655 O GLU A 43 -14.758 -19.406 -17.444 1.00 32.21 O ATOM 656 CB GLU A 43 -17.286 -17.266 -17.607 1.00 43.41 C ATOM 657 CG GLU A 43 -18.082 -16.495 -16.555 1.00 4.44 C ATOM 658 CD GLU A 43 -17.516 -15.111 -16.277 1.00 44.01 C ATOM 659 OE1 GLU A 43 -17.738 -14.195 -17.099 1.00 43.34 O ATOM 660 OE2 GLU A 43 -16.839 -14.937 -15.241 1.00 20.13 O ATOM 0 H GLU A 43 -15.887 -15.272 -18.095 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.574 -17.344 -16.306 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.500 -16.847 -18.590 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.627 -18.301 -17.621 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -19.115 -16.399 -16.888 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -18.098 -17.068 -15.628 1.00 4.44 H new ATOM 667 N GLU A 44 -14.889 -18.294 -19.382 1.00 24.15 N ATOM 668 CA GLU A 44 -14.321 -19.386 -20.171 1.00 42.15 C ATOM 669 C GLU A 44 -12.931 -19.764 -19.646 1.00 51.42 C ATOM 670 O GLU A 44 -12.621 -20.942 -19.440 1.00 31.32 O ATOM 671 CB GLU A 44 -14.248 -18.979 -21.647 1.00 42.11 C ATOM 672 CG GLU A 44 -15.594 -18.546 -22.219 1.00 54.42 C ATOM 673 CD GLU A 44 -15.520 -18.155 -23.685 1.00 75.51 C ATOM 674 OE1 GLU A 44 -15.655 -19.046 -24.550 1.00 13.55 O ATOM 675 OE2 GLU A 44 -15.327 -16.954 -23.977 1.00 0.14 O ATOM 0 H GLU A 44 -15.095 -17.449 -19.915 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.966 -20.260 -20.079 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -13.534 -18.162 -21.757 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.866 -19.817 -22.230 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -16.310 -19.359 -22.102 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.972 -17.702 -21.643 1.00 54.42 H new ATOM 682 N GLN A 45 -12.118 -18.742 -19.399 1.00 31.04 N ATOM 683 CA GLN A 45 -10.754 -18.926 -18.903 1.00 14.15 C ATOM 684 C GLN A 45 -10.784 -19.475 -17.481 1.00 53.01 C ATOM 685 O GLN A 45 -9.973 -20.322 -17.114 1.00 14.13 O ATOM 686 CB GLN A 45 -10.004 -17.586 -18.939 1.00 51.21 C ATOM 687 CG GLN A 45 -10.096 -16.866 -20.285 1.00 30.54 C ATOM 688 CD GLN A 45 -9.301 -17.544 -21.392 1.00 41.25 C ATOM 689 OE1 GLN A 45 -9.106 -18.758 -21.387 1.00 64.40 O ATOM 690 NE2 GLN A 45 -8.847 -16.762 -22.357 1.00 1.34 N ATOM 0 H GLN A 45 -12.382 -17.766 -19.535 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.235 -19.641 -19.542 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.403 -16.935 -18.161 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.955 -17.761 -18.701 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -11.142 -16.805 -20.585 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.739 -15.843 -20.166 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -9.028 -15.759 -22.328 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -8.316 -17.162 -23.130 1.00 1.34 H new ATOM 699 N VAL A 46 -11.747 -19.001 -16.692 1.00 64.44 N ATOM 700 CA VAL A 46 -11.912 -19.459 -15.318 1.00 2.55 C ATOM 701 C VAL A 46 -12.221 -20.951 -15.308 1.00 12.42 C ATOM 702 O VAL A 46 -11.602 -21.725 -14.579 1.00 73.15 O ATOM 703 CB VAL A 46 -13.052 -18.690 -14.597 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.350 -19.295 -13.226 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.702 -17.208 -14.463 1.00 15.10 C ATOM 0 H VAL A 46 -12.426 -18.298 -16.984 1.00 64.44 H new ATOM 0 HA VAL A 46 -10.981 -19.267 -14.785 1.00 2.55 H new ATOM 0 HB VAL A 46 -13.951 -18.782 -15.206 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.153 -18.734 -12.747 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.655 -20.335 -13.346 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.455 -19.249 -12.606 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.514 -16.687 -13.955 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.784 -17.102 -13.884 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.558 -16.777 -15.454 1.00 15.10 H new ATOM 715 N GLN A 47 -13.163 -21.341 -16.156 1.00 74.22 N ATOM 716 CA GLN A 47 -13.582 -22.729 -16.269 1.00 73.34 C ATOM 717 C GLN A 47 -12.434 -23.588 -16.790 1.00 25.01 C ATOM 718 O GLN A 47 -12.272 -24.735 -16.378 1.00 54.32 O ATOM 719 CB GLN A 47 -14.794 -22.828 -17.201 1.00 71.34 C ATOM 720 CG GLN A 47 -15.964 -21.942 -16.771 1.00 23.23 C ATOM 721 CD GLN A 47 -16.734 -22.478 -15.577 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.195 -23.192 -14.735 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.000 -22.105 -15.482 1.00 3.44 N ATOM 0 H GLN A 47 -13.656 -20.705 -16.783 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.864 -23.098 -15.283 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.490 -22.551 -18.211 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -15.128 -23.865 -17.241 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.586 -20.948 -16.531 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.649 -21.828 -17.611 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.412 -21.511 -16.202 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.564 -22.411 -14.689 1.00 3.44 H new ATOM 732 N GLU A 48 -11.630 -23.019 -17.687 1.00 35.04 N ATOM 733 CA GLU A 48 -10.465 -23.710 -18.209 1.00 64.51 C ATOM 734 C GLU A 48 -9.440 -23.951 -17.094 1.00 55.04 C ATOM 735 O GLU A 48 -8.833 -25.024 -17.017 1.00 73.40 O ATOM 736 CB GLU A 48 -9.862 -22.921 -19.385 1.00 43.20 C ATOM 737 CG GLU A 48 -8.344 -22.956 -19.443 1.00 42.23 C ATOM 738 CD GLU A 48 -7.792 -22.764 -20.846 1.00 41.42 C ATOM 739 OE1 GLU A 48 -7.539 -21.610 -21.246 1.00 51.14 O ATOM 740 OE2 GLU A 48 -7.603 -23.777 -21.559 1.00 52.21 O ATOM 0 H GLU A 48 -11.769 -22.081 -18.064 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.767 -24.686 -18.588 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -10.260 -23.320 -20.318 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.188 -21.883 -19.317 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.944 -22.178 -18.793 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.994 -23.910 -19.050 1.00 42.23 H new ATOM 747 N VAL A 49 -9.262 -22.961 -16.219 1.00 34.21 N ATOM 748 CA VAL A 49 -8.390 -23.117 -15.055 1.00 32.22 C ATOM 749 C VAL A 49 -8.901 -24.246 -14.172 1.00 34.13 C ATOM 750 O VAL A 49 -8.146 -25.143 -13.794 1.00 25.13 O ATOM 751 CB VAL A 49 -8.286 -21.813 -14.217 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.470 -22.042 -12.943 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.675 -20.688 -15.047 1.00 71.11 C ATOM 0 H VAL A 49 -9.708 -22.047 -16.293 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.393 -23.352 -15.428 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.295 -21.520 -13.925 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.413 -21.113 -12.375 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -7.951 -22.809 -12.336 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.464 -22.367 -13.209 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.611 -19.783 -14.442 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.676 -20.978 -15.374 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.301 -20.498 -15.919 1.00 71.11 H new ATOM 763 N VAL A 50 -10.197 -24.220 -13.878 1.00 60.22 N ATOM 764 CA VAL A 50 -10.809 -25.252 -13.051 1.00 11.40 C ATOM 765 C VAL A 50 -10.674 -26.606 -13.738 1.00 72.34 C ATOM 766 O VAL A 50 -10.450 -27.624 -13.084 1.00 53.42 O ATOM 767 CB VAL A 50 -12.304 -24.961 -12.753 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.833 -25.920 -11.696 1.00 15.52 C ATOM 769 CG2 VAL A 50 -12.492 -23.507 -12.334 1.00 15.52 C ATOM 0 H VAL A 50 -10.841 -23.498 -14.199 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.283 -25.261 -12.096 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.881 -25.120 -13.664 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.883 -25.702 -11.499 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -12.736 -26.945 -12.054 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -12.259 -25.801 -10.777 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -13.546 -23.321 -12.129 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -11.907 -23.309 -11.436 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -12.157 -22.851 -13.137 1.00 15.52 H new ATOM 779 N ALA A 51 -10.771 -26.601 -15.066 1.00 31.45 N ATOM 780 CA ALA A 51 -10.618 -27.816 -15.863 1.00 42.34 C ATOM 781 C ALA A 51 -9.205 -28.383 -15.724 1.00 31.41 C ATOM 782 O ALA A 51 -9.017 -29.598 -15.678 1.00 25.24 O ATOM 783 CB ALA A 51 -10.945 -27.539 -17.327 1.00 44.10 C ATOM 0 H ALA A 51 -10.956 -25.762 -15.616 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.320 -28.561 -15.488 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.826 -28.455 -17.906 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.974 -27.189 -17.410 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.269 -26.775 -17.713 1.00 44.10 H new ATOM 789 N LYS A 52 -8.211 -27.500 -15.675 1.00 53.45 N ATOM 790 CA LYS A 52 -6.828 -27.918 -15.455 1.00 42.14 C ATOM 791 C LYS A 52 -6.607 -28.253 -13.976 1.00 3.33 C ATOM 792 O LYS A 52 -5.769 -29.085 -13.631 1.00 33.40 O ATOM 793 CB LYS A 52 -5.846 -26.834 -15.925 1.00 40.33 C ATOM 794 CG LYS A 52 -4.398 -27.316 -15.993 1.00 30.34 C ATOM 795 CD LYS A 52 -3.467 -26.261 -16.586 1.00 44.14 C ATOM 796 CE LYS A 52 -2.043 -26.788 -16.739 1.00 31.32 C ATOM 797 NZ LYS A 52 -1.969 -27.940 -17.681 1.00 11.24 N ATOM 0 H LYS A 52 -8.336 -26.494 -15.784 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.639 -28.815 -16.045 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -6.150 -26.481 -16.910 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -5.906 -25.982 -15.248 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -4.057 -27.578 -14.992 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -4.347 -28.223 -16.595 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -3.845 -25.947 -17.559 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -3.462 -25.379 -15.946 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -1.397 -25.986 -17.096 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -1.663 -27.093 -15.764 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -0.978 -28.103 -17.952 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -2.346 -28.792 -17.218 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -2.531 -27.730 -18.531 1.00 11.24 H new ATOM 811 N LEU A 53 -7.424 -27.652 -13.109 1.00 5.45 N ATOM 812 CA LEU A 53 -7.313 -27.866 -11.662 1.00 72.44 C ATOM 813 C LEU A 53 -7.967 -29.195 -11.356 1.00 43.14 C ATOM 814 O LEU A 53 -7.762 -29.812 -10.312 1.00 30.51 O ATOM 815 CB LEU A 53 -7.998 -26.734 -10.868 1.00 61.32 C ATOM 816 CG LEU A 53 -7.131 -25.502 -10.531 1.00 62.23 C ATOM 817 CD1 LEU A 53 -7.884 -24.573 -9.593 1.00 3.31 C ATOM 818 CD2 LEU A 53 -5.799 -25.926 -9.916 1.00 15.34 C ATOM 0 H LEU A 53 -8.170 -27.013 -13.382 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.264 -27.867 -11.365 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -8.864 -26.395 -11.436 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.373 -27.152 -9.934 1.00 61.32 H new ATOM 0 HG LEU A 53 -6.918 -24.966 -11.456 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.263 -23.708 -9.362 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -8.805 -24.241 -10.072 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.125 -25.103 -8.672 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.206 -25.041 -9.687 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.983 -26.486 -8.999 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.256 -26.554 -10.622 1.00 15.34 H new ATOM 830 N THR A 54 -8.763 -29.605 -12.323 1.00 2.31 N ATOM 831 CA THR A 54 -9.411 -30.884 -12.346 1.00 74.25 C ATOM 832 C THR A 54 -8.403 -31.986 -12.722 1.00 12.24 C ATOM 833 O THR A 54 -8.729 -33.174 -12.701 1.00 11.50 O ATOM 834 CB THR A 54 -10.582 -30.801 -13.353 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.632 -29.991 -12.811 1.00 2.43 O ATOM 836 CG2 THR A 54 -11.128 -32.151 -13.730 1.00 33.32 C ATOM 0 H THR A 54 -8.978 -29.031 -13.138 1.00 2.31 H new ATOM 0 HA THR A 54 -9.802 -31.142 -11.362 1.00 74.25 H new ATOM 0 HB THR A 54 -10.186 -30.350 -14.263 1.00 54.25 H new ATOM 0 HG1 THR A 54 -11.474 -29.052 -13.044 1.00 2.43 H new ATOM 0 HG21 THR A 54 -11.947 -32.027 -14.439 1.00 33.32 H new ATOM 0 HG22 THR A 54 -10.339 -32.748 -14.188 1.00 33.32 H new ATOM 0 HG23 THR A 54 -11.494 -32.658 -12.837 1.00 33.32 H new ATOM 844 N ASP A 55 -7.167 -31.586 -13.053 1.00 13.25 N ATOM 845 CA ASP A 55 -6.086 -32.543 -13.301 1.00 1.54 C ATOM 846 C ASP A 55 -5.146 -32.594 -12.089 1.00 20.51 C ATOM 847 O ASP A 55 -4.145 -31.873 -12.043 1.00 75.23 O ATOM 848 CB ASP A 55 -5.285 -32.176 -14.565 1.00 3.22 C ATOM 849 CG ASP A 55 -6.114 -32.204 -15.842 1.00 40.30 C ATOM 850 OD1 ASP A 55 -6.719 -33.257 -16.145 1.00 74.12 O ATOM 851 OD2 ASP A 55 -6.146 -31.186 -16.566 1.00 52.23 O ATOM 0 H ASP A 55 -6.894 -30.608 -13.154 1.00 13.25 H new ATOM 0 HA ASP A 55 -6.536 -33.523 -13.459 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -4.860 -31.180 -14.439 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -4.449 -32.868 -14.669 1.00 3.22 H new ATOM 856 N PRO A 56 -5.447 -33.451 -11.090 1.00 62.43 N ATOM 857 CA PRO A 56 -4.672 -33.522 -9.843 1.00 43.13 C ATOM 858 C PRO A 56 -3.251 -33.993 -10.111 1.00 2.34 C ATOM 859 O PRO A 56 -2.300 -33.547 -9.464 1.00 53.10 O ATOM 860 CB PRO A 56 -5.440 -34.546 -8.984 1.00 74.10 C ATOM 861 CG PRO A 56 -6.778 -34.671 -9.634 1.00 74.41 C ATOM 862 CD PRO A 56 -6.539 -34.437 -11.098 1.00 55.11 C ATOM 0 HA PRO A 56 -4.577 -32.553 -9.354 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -4.923 -35.505 -8.958 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -5.533 -34.205 -7.953 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -7.208 -35.657 -9.460 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.480 -33.942 -9.230 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -6.254 -35.354 -11.614 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.428 -34.053 -11.598 1.00 55.11 H new ATOM 870 N GLU A 57 -3.118 -34.889 -11.083 1.00 53.21 N ATOM 871 CA GLU A 57 -1.817 -35.386 -11.511 1.00 31.20 C ATOM 872 C GLU A 57 -0.932 -34.222 -11.952 1.00 11.32 C ATOM 873 O GLU A 57 0.266 -34.195 -11.666 1.00 40.10 O ATOM 874 CB GLU A 57 -1.993 -36.387 -12.659 1.00 11.23 C ATOM 875 CG GLU A 57 -0.690 -37.001 -13.150 1.00 74.52 C ATOM 876 CD GLU A 57 -0.898 -37.932 -14.332 1.00 43.42 C ATOM 877 OE1 GLU A 57 -1.301 -39.092 -14.117 1.00 10.41 O ATOM 878 OE2 GLU A 57 -0.671 -37.504 -15.482 1.00 15.41 O ATOM 0 H GLU A 57 -3.905 -35.289 -11.594 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.335 -35.893 -10.675 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -2.659 -37.186 -12.332 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.483 -35.885 -13.493 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -0.001 -36.206 -13.434 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -0.221 -37.552 -12.335 1.00 74.52 H new ATOM 885 N SER A 58 -1.543 -33.247 -12.623 1.00 43.04 N ATOM 886 CA SER A 58 -0.813 -32.088 -13.115 1.00 14.11 C ATOM 887 C SER A 58 -0.351 -31.230 -11.942 1.00 64.34 C ATOM 888 O SER A 58 0.834 -30.930 -11.812 1.00 15.34 O ATOM 889 CB SER A 58 -1.703 -31.272 -14.069 1.00 53.34 C ATOM 890 OG SER A 58 -1.009 -30.158 -14.606 1.00 0.11 O ATOM 0 H SER A 58 -2.540 -33.240 -12.836 1.00 43.04 H new ATOM 0 HA SER A 58 0.066 -32.423 -13.666 1.00 14.11 H new ATOM 0 HB2 SER A 58 -2.049 -31.912 -14.881 1.00 53.34 H new ATOM 0 HB3 SER A 58 -2.589 -30.927 -13.535 1.00 53.34 H new ATOM 0 HG SER A 58 -1.602 -29.663 -15.209 1.00 0.11 H new ATOM 896 N SER A 59 -1.290 -30.903 -11.051 1.00 11.31 N ATOM 897 CA SER A 59 -1.000 -30.070 -9.882 1.00 64.13 C ATOM 898 C SER A 59 0.088 -30.715 -9.026 1.00 74.10 C ATOM 899 O SER A 59 0.996 -30.040 -8.525 1.00 53.43 O ATOM 900 CB SER A 59 -2.281 -29.863 -9.057 1.00 5.10 C ATOM 901 OG SER A 59 -2.063 -29.009 -7.950 1.00 31.55 O ATOM 0 H SER A 59 -2.262 -31.204 -11.118 1.00 11.31 H new ATOM 0 HA SER A 59 -0.639 -29.099 -10.221 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.059 -29.441 -9.694 1.00 5.10 H new ATOM 0 HB3 SER A 59 -2.646 -30.828 -8.705 1.00 5.10 H new ATOM 0 HG SER A 59 -2.923 -28.669 -7.625 1.00 31.55 H new ATOM 907 N ALA A 60 0.005 -32.036 -8.898 1.00 52.35 N ATOM 908 CA ALA A 60 0.922 -32.791 -8.061 1.00 44.05 C ATOM 909 C ALA A 60 2.365 -32.667 -8.543 1.00 65.01 C ATOM 910 O ALA A 60 3.260 -32.375 -7.758 1.00 55.43 O ATOM 911 CB ALA A 60 0.502 -34.258 -8.013 1.00 33.33 C ATOM 0 H ALA A 60 -0.696 -32.607 -9.370 1.00 52.35 H new ATOM 0 HA ALA A 60 0.876 -32.371 -7.056 1.00 44.05 H new ATOM 0 HB1 ALA A 60 1.196 -34.815 -7.383 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -0.504 -34.335 -7.601 1.00 33.33 H new ATOM 0 HB3 ALA A 60 0.514 -34.673 -9.021 1.00 33.33 H new ATOM 917 N GLN A 61 2.592 -32.863 -9.838 1.00 51.35 N ATOM 918 CA GLN A 61 3.961 -32.929 -10.355 1.00 31.01 C ATOM 919 C GLN A 61 4.527 -31.549 -10.705 1.00 42.21 C ATOM 920 O GLN A 61 5.744 -31.366 -10.693 1.00 61.11 O ATOM 921 CB GLN A 61 4.034 -33.858 -11.577 1.00 62.35 C ATOM 922 CG GLN A 61 3.163 -33.428 -12.752 1.00 12.53 C ATOM 923 CD GLN A 61 3.290 -34.366 -13.944 1.00 33.44 C ATOM 924 OE1 GLN A 61 3.556 -35.560 -13.787 1.00 35.13 O ATOM 925 NE2 GLN A 61 3.099 -33.838 -15.144 1.00 62.21 N ATOM 0 H GLN A 61 1.862 -32.978 -10.541 1.00 51.35 H new ATOM 0 HA GLN A 61 4.579 -33.336 -9.555 1.00 31.01 H new ATOM 0 HB2 GLN A 61 5.070 -33.917 -11.911 1.00 62.35 H new ATOM 0 HB3 GLN A 61 3.740 -34.862 -11.272 1.00 62.35 H new ATOM 0 HG2 GLN A 61 2.121 -33.389 -12.433 1.00 12.53 H new ATOM 0 HG3 GLN A 61 3.441 -32.419 -13.056 1.00 12.53 H new ATOM 0 HE21 GLN A 61 2.880 -32.846 -15.236 1.00 62.21 H new ATOM 0 HE22 GLN A 61 3.170 -34.424 -15.976 1.00 62.21 H new ATOM 934 N ILE A 62 3.665 -30.579 -11.010 1.00 4.23 N ATOM 935 CA ILE A 62 4.146 -29.248 -11.379 1.00 32.12 C ATOM 936 C ILE A 62 4.765 -28.519 -10.180 1.00 0.54 C ATOM 937 O ILE A 62 5.752 -27.800 -10.334 1.00 12.44 O ATOM 938 CB ILE A 62 3.052 -28.369 -12.063 1.00 60.44 C ATOM 939 CG1 ILE A 62 1.814 -28.160 -11.163 1.00 42.11 C ATOM 940 CG2 ILE A 62 2.641 -28.983 -13.402 1.00 4.10 C ATOM 941 CD1 ILE A 62 1.876 -26.920 -10.294 1.00 43.34 C ATOM 0 H ILE A 62 2.651 -30.685 -11.010 1.00 4.23 H new ATOM 0 HA ILE A 62 4.927 -29.408 -12.122 1.00 32.12 H new ATOM 0 HB ILE A 62 3.490 -27.386 -12.235 1.00 60.44 H new ATOM 0 HG12 ILE A 62 0.927 -28.103 -11.793 1.00 42.11 H new ATOM 0 HG13 ILE A 62 1.694 -29.033 -10.522 1.00 42.11 H new ATOM 0 HG21 ILE A 62 1.878 -28.360 -13.869 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.510 -29.043 -14.057 1.00 4.10 H new ATOM 0 HG23 ILE A 62 2.242 -29.984 -13.236 1.00 4.10 H new ATOM 0 HD11 ILE A 62 0.968 -26.850 -9.695 1.00 43.34 H new ATOM 0 HD12 ILE A 62 2.742 -26.981 -9.635 1.00 43.34 H new ATOM 0 HD13 ILE A 62 1.962 -26.036 -10.926 1.00 43.34 H new ATOM 953 N ASP A 63 4.196 -28.720 -8.985 1.00 4.21 N ATOM 954 CA ASP A 63 4.668 -28.010 -7.787 1.00 24.12 C ATOM 955 C ASP A 63 5.113 -28.968 -6.679 1.00 32.11 C ATOM 956 O ASP A 63 5.798 -28.562 -5.736 1.00 51.03 O ATOM 957 CB ASP A 63 3.567 -27.082 -7.269 1.00 63.41 C ATOM 958 CG ASP A 63 4.032 -26.203 -6.122 1.00 3.22 C ATOM 959 OD1 ASP A 63 4.838 -25.283 -6.365 1.00 51.45 O ATOM 960 OD2 ASP A 63 3.568 -26.401 -4.983 1.00 1.22 O ATOM 0 H ASP A 63 3.418 -29.359 -8.821 1.00 4.21 H new ATOM 0 HA ASP A 63 5.541 -27.425 -8.075 1.00 24.12 H new ATOM 0 HB2 ASP A 63 3.216 -26.451 -8.085 1.00 63.41 H new ATOM 0 HB3 ASP A 63 2.717 -27.681 -6.941 1.00 63.41 H new ATOM 965 N GLY A 64 4.750 -30.240 -6.803 1.00 4.34 N ATOM 966 CA GLY A 64 5.172 -31.240 -5.830 1.00 4.15 C ATOM 967 C GLY A 64 4.266 -31.316 -4.610 1.00 21.32 C ATOM 968 O GLY A 64 4.598 -31.991 -3.636 1.00 74.55 O ATOM 0 H GLY A 64 4.170 -30.600 -7.561 1.00 4.34 H new ATOM 0 HA2 GLY A 64 5.201 -32.217 -6.313 1.00 4.15 H new ATOM 0 HA3 GLY A 64 6.188 -31.014 -5.506 1.00 4.15 H new ATOM 972 N VAL A 65 3.129 -30.621 -4.657 1.00 53.23 N ATOM 973 CA VAL A 65 2.156 -30.643 -3.561 1.00 5.12 C ATOM 974 C VAL A 65 0.828 -30.031 -4.011 1.00 22.24 C ATOM 975 O VAL A 65 0.807 -29.086 -4.802 1.00 34.45 O ATOM 976 CB VAL A 65 2.685 -29.892 -2.306 1.00 20.52 C ATOM 977 CG1 VAL A 65 2.954 -28.423 -2.613 1.00 63.22 C ATOM 978 CG2 VAL A 65 1.720 -30.037 -1.128 1.00 11.54 C ATOM 0 H VAL A 65 2.857 -30.033 -5.445 1.00 53.23 H new ATOM 0 HA VAL A 65 1.998 -31.686 -3.288 1.00 5.12 H new ATOM 0 HB VAL A 65 3.632 -30.352 -2.022 1.00 20.52 H new ATOM 0 HG11 VAL A 65 3.323 -27.925 -1.716 1.00 63.22 H new ATOM 0 HG12 VAL A 65 3.701 -28.347 -3.403 1.00 63.22 H new ATOM 0 HG13 VAL A 65 2.031 -27.945 -2.940 1.00 63.22 H new ATOM 0 HG21 VAL A 65 2.116 -29.502 -0.265 1.00 11.54 H new ATOM 0 HG22 VAL A 65 0.750 -29.621 -1.399 1.00 11.54 H new ATOM 0 HG23 VAL A 65 1.605 -31.092 -0.879 1.00 11.54 H new ATOM 988 N VAL A 66 -0.273 -30.585 -3.504 1.00 30.32 N ATOM 989 CA VAL A 66 -1.619 -30.135 -3.860 1.00 1.42 C ATOM 990 C VAL A 66 -2.317 -29.520 -2.643 1.00 32.13 C ATOM 991 O VAL A 66 -2.642 -30.223 -1.682 1.00 51.15 O ATOM 992 CB VAL A 66 -2.473 -31.310 -4.403 1.00 14.41 C ATOM 993 CG1 VAL A 66 -3.882 -30.848 -4.767 1.00 5.23 C ATOM 994 CG2 VAL A 66 -1.791 -31.965 -5.603 1.00 34.45 C ATOM 0 H VAL A 66 -0.258 -31.356 -2.837 1.00 30.32 H new ATOM 0 HA VAL A 66 -1.521 -29.381 -4.641 1.00 1.42 H new ATOM 0 HB VAL A 66 -2.560 -32.053 -3.610 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -4.456 -31.694 -5.145 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -4.372 -30.443 -3.882 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -3.825 -30.077 -5.535 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -2.407 -32.787 -5.968 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -1.663 -31.228 -6.396 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -0.816 -32.348 -5.303 1.00 34.45 H new ATOM 1004 N SER A 67 -2.500 -28.204 -2.669 1.00 53.53 N ATOM 1005 CA SER A 67 -3.203 -27.483 -1.605 1.00 63.30 C ATOM 1006 C SER A 67 -3.988 -26.306 -2.197 1.00 25.11 C ATOM 1007 O SER A 67 -3.865 -26.022 -3.382 1.00 45.11 O ATOM 1008 CB SER A 67 -2.204 -27.002 -0.545 1.00 44.10 C ATOM 1009 OG SER A 67 -1.531 -28.098 0.057 1.00 1.41 O ATOM 0 H SER A 67 -2.167 -27.605 -3.425 1.00 53.53 H new ATOM 0 HA SER A 67 -3.911 -28.157 -1.123 1.00 63.30 H new ATOM 0 HB2 SER A 67 -1.477 -26.332 -1.004 1.00 44.10 H new ATOM 0 HB3 SER A 67 -2.728 -26.428 0.220 1.00 44.10 H new ATOM 0 HG SER A 67 -0.899 -27.765 0.728 1.00 1.41 H new ATOM 1015 N LYS A 68 -4.762 -25.606 -1.360 1.00 41.35 N ATOM 1016 CA LYS A 68 -5.668 -24.541 -1.825 1.00 53.40 C ATOM 1017 C LYS A 68 -4.940 -23.460 -2.639 1.00 61.41 C ATOM 1018 O LYS A 68 -5.561 -22.751 -3.435 1.00 72.23 O ATOM 1019 CB LYS A 68 -6.387 -23.893 -0.631 1.00 10.32 C ATOM 1020 CG LYS A 68 -7.300 -24.846 0.141 1.00 71.13 C ATOM 1021 CD LYS A 68 -8.038 -24.126 1.267 1.00 22.42 C ATOM 1022 CE LYS A 68 -8.973 -25.062 2.026 1.00 22.41 C ATOM 1023 NZ LYS A 68 -9.692 -24.366 3.127 1.00 5.02 N ATOM 0 H LYS A 68 -4.781 -25.757 -0.351 1.00 41.35 H new ATOM 0 HA LYS A 68 -6.396 -25.013 -2.485 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -5.641 -23.489 0.053 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -6.979 -23.051 -0.991 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -8.023 -25.292 -0.542 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -6.708 -25.662 0.556 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -7.314 -23.697 1.959 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -8.612 -23.297 0.853 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -9.698 -25.489 1.333 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -8.398 -25.892 2.437 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -10.316 -25.040 3.615 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -9.002 -23.981 3.803 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -10.262 -23.590 2.734 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.635 -23.334 -2.442 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.836 -22.311 -3.126 1.00 73.13 C ATOM 1039 C ASP A 69 -2.615 -22.662 -4.597 1.00 2.11 C ATOM 1040 O ASP A 69 -2.235 -21.802 -5.395 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.487 -22.115 -2.430 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.589 -23.337 -2.523 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -0.922 -24.364 -1.894 1.00 53.11 O ATOM 1044 OD2 ASP A 69 0.458 -23.270 -3.209 1.00 3.03 O ATOM 0 H ASP A 69 -3.099 -23.929 -1.811 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.398 -21.378 -3.077 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.976 -21.261 -2.874 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.657 -21.875 -1.381 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.843 -23.929 -4.947 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.646 -24.408 -6.318 1.00 21.21 C ATOM 1051 C GLU A 70 -3.420 -23.533 -7.298 1.00 20.22 C ATOM 1052 O GLU A 70 -2.920 -23.178 -8.369 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.089 -25.877 -6.447 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.593 -26.090 -6.268 1.00 54.45 C ATOM 1055 CD GLU A 70 -4.996 -27.555 -6.292 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -4.832 -28.204 -7.346 1.00 33.23 O ATOM 1057 OE2 GLU A 70 -5.475 -28.063 -5.255 1.00 53.25 O ATOM 0 H GLU A 70 -3.166 -24.646 -4.297 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.584 -24.347 -6.557 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.794 -26.250 -7.428 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -2.557 -26.473 -5.705 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.906 -25.649 -5.322 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.125 -25.560 -7.058 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.624 -23.145 -6.888 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.508 -22.351 -7.728 1.00 21.42 C ATOM 1066 C ILE A 71 -4.787 -21.096 -8.209 1.00 5.33 C ATOM 1067 O ILE A 71 -4.747 -20.807 -9.402 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.793 -21.933 -6.967 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.478 -23.160 -6.337 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.751 -21.204 -7.912 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.705 -22.824 -5.516 1.00 41.44 C ATOM 0 H ILE A 71 -5.010 -23.371 -5.971 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.793 -22.969 -8.579 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.514 -21.253 -6.162 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.762 -23.852 -7.130 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.759 -23.679 -5.703 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.650 -20.915 -7.367 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.264 -20.313 -8.307 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.022 -21.864 -8.736 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.130 -23.740 -5.106 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.426 -22.157 -4.700 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.443 -22.333 -6.150 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.174 -20.393 -7.263 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.538 -19.104 -7.523 1.00 53.51 C ATOM 1085 C GLU A 72 -2.488 -19.211 -8.631 1.00 55.15 C ATOM 1086 O GLU A 72 -2.523 -18.470 -9.620 1.00 64.43 O ATOM 1087 CB GLU A 72 -2.889 -18.581 -6.235 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.826 -18.614 -5.030 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.275 -17.864 -3.830 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -3.065 -16.639 -3.937 1.00 15.35 O ATOM 1091 OE2 GLU A 72 -3.056 -18.491 -2.770 1.00 52.10 O ATOM 0 H GLU A 72 -4.103 -20.700 -6.293 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.306 -18.407 -7.858 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.004 -19.177 -6.014 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.552 -17.557 -6.396 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.787 -18.183 -5.312 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.012 -19.651 -4.750 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.564 -20.149 -8.469 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.477 -20.314 -9.428 1.00 45.24 C ATOM 1100 C LYS A 73 -0.988 -20.865 -10.762 1.00 24.45 C ATOM 1101 O LYS A 73 -0.400 -20.593 -11.812 1.00 4.23 O ATOM 1102 CB LYS A 73 0.662 -21.164 -8.836 1.00 73.41 C ATOM 1103 CG LYS A 73 0.221 -22.450 -8.141 1.00 61.01 C ATOM 1104 CD LYS A 73 1.285 -22.928 -7.152 1.00 25.10 C ATOM 1105 CE LYS A 73 0.883 -24.211 -6.434 1.00 44.05 C ATOM 1106 NZ LYS A 73 1.770 -24.496 -5.273 1.00 4.13 N ATOM 0 H LYS A 73 -1.544 -20.804 -7.688 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.059 -19.329 -9.638 1.00 45.24 H new ATOM 0 HB2 LYS A 73 1.355 -21.422 -9.637 1.00 73.41 H new ATOM 0 HB3 LYS A 73 1.214 -20.555 -8.121 1.00 73.41 H new ATOM 0 HG2 LYS A 73 -0.719 -22.281 -7.616 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.036 -23.225 -8.885 1.00 61.01 H new ATOM 0 HD2 LYS A 73 2.222 -23.092 -7.683 1.00 25.10 H new ATOM 0 HD3 LYS A 73 1.469 -22.146 -6.415 1.00 25.10 H new ATOM 0 HE2 LYS A 73 -0.148 -24.128 -6.092 1.00 44.05 H new ATOM 0 HE3 LYS A 73 0.920 -25.046 -7.134 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 2.024 -25.505 -5.269 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 2.634 -23.922 -5.347 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 1.273 -24.261 -4.390 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.087 -21.623 -10.734 1.00 11.22 N ATOM 1121 CA PHE A 74 -2.745 -22.038 -11.976 1.00 22.20 C ATOM 1122 C PHE A 74 -3.433 -20.843 -12.651 1.00 73.02 C ATOM 1123 O PHE A 74 -3.536 -20.789 -13.876 1.00 45.14 O ATOM 1124 CB PHE A 74 -3.750 -23.173 -11.725 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.119 -24.545 -11.708 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.288 -24.938 -10.668 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -3.363 -25.445 -12.737 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -1.713 -26.196 -10.658 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -2.790 -26.702 -12.729 1.00 73.32 C ATOM 1130 CZ PHE A 74 -1.966 -27.079 -11.690 1.00 62.40 C ATOM 0 H PHE A 74 -2.534 -21.957 -9.880 1.00 11.22 H new ATOM 0 HA PHE A 74 -1.976 -22.418 -12.648 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.250 -23.000 -10.772 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.518 -23.145 -12.498 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.088 -24.253 -9.857 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.009 -25.159 -13.554 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.066 -26.488 -9.844 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -2.988 -27.390 -13.538 1.00 73.32 H new ATOM 0 HZ PHE A 74 -1.519 -28.062 -11.683 1.00 62.40 H new ATOM 1140 N ILE A 75 -3.893 -19.884 -11.847 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.501 -18.660 -12.375 1.00 31.44 C ATOM 1142 C ILE A 75 -3.453 -17.823 -13.106 1.00 22.43 C ATOM 1143 O ILE A 75 -3.657 -17.391 -14.245 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.131 -17.799 -11.246 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.285 -18.545 -10.564 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.610 -16.455 -11.791 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -6.857 -17.814 -9.366 1.00 30.54 C ATOM 0 H ILE A 75 -3.857 -19.930 -10.829 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.289 -18.962 -13.065 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.359 -17.611 -10.499 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.080 -18.710 -11.291 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -5.934 -19.527 -10.246 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.047 -15.869 -10.982 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.765 -15.913 -12.216 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.360 -16.622 -12.564 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -7.668 -18.401 -8.935 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.076 -17.672 -8.619 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.239 -16.843 -9.681 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.316 -17.620 -12.441 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.231 -16.793 -12.976 1.00 4.04 C ATOM 1161 C ALA A 76 -0.735 -17.303 -14.335 1.00 21.11 C ATOM 1162 O ALA A 76 -0.163 -16.542 -15.118 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.081 -16.725 -11.973 1.00 5.44 C ATOM 0 H ALA A 76 -2.120 -18.020 -11.523 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.626 -15.790 -13.136 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.720 -16.108 -12.380 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.437 -16.288 -11.040 1.00 5.44 H new ATOM 0 HB3 ALA A 76 0.296 -17.730 -11.783 1.00 5.44 H new ATOM 1169 N ASP A 77 -0.978 -18.582 -14.612 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.562 -19.212 -15.873 1.00 42.01 C ATOM 1171 C ASP A 77 -1.235 -18.543 -17.076 1.00 61.43 C ATOM 1172 O ASP A 77 -0.668 -18.482 -18.166 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.906 -20.710 -15.853 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.522 -21.432 -17.143 1.00 43.21 C ATOM 1175 OD1 ASP A 77 0.652 -21.839 -17.278 1.00 31.32 O ATOM 1176 OD2 ASP A 77 -1.397 -21.611 -18.018 1.00 14.33 O ATOM 0 H ASP A 77 -1.466 -19.212 -13.976 1.00 61.03 H new ATOM 0 HA ASP A 77 0.516 -19.087 -15.971 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.395 -21.182 -15.014 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.976 -20.828 -15.683 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.433 -18.007 -16.859 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.229 -17.418 -17.939 1.00 54.41 C ATOM 1183 C VAL A 78 -2.887 -15.927 -18.112 1.00 22.23 C ATOM 1184 O VAL A 78 -3.751 -15.102 -18.423 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.747 -17.593 -17.650 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.593 -17.268 -18.885 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.038 -19.008 -17.151 1.00 24.11 C ATOM 0 H VAL A 78 -2.878 -17.967 -15.942 1.00 0.21 H new ATOM 0 HA VAL A 78 -2.988 -17.937 -18.866 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.022 -16.886 -16.867 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.649 -17.401 -18.648 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.416 -16.236 -19.186 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.318 -17.936 -19.701 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.105 -19.112 -16.954 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.737 -19.730 -17.910 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.480 -19.192 -16.233 1.00 24.11 H new ATOM 1197 N THR A 79 -1.609 -15.599 -17.903 1.00 30.41 N ATOM 1198 CA THR A 79 -1.108 -14.225 -18.023 1.00 54.12 C ATOM 1199 C THR A 79 -1.801 -13.310 -17.014 1.00 71.50 C ATOM 1200 O THR A 79 -1.738 -12.085 -17.111 1.00 33.50 O ATOM 1201 CB THR A 79 -1.335 -13.667 -19.453 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.020 -14.678 -20.423 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.476 -12.431 -19.721 1.00 22.22 C ATOM 0 H THR A 79 -0.892 -16.277 -17.646 1.00 30.41 H new ATOM 0 HA THR A 79 -0.038 -14.250 -17.819 1.00 54.12 H new ATOM 0 HB THR A 79 -2.383 -13.379 -19.533 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.166 -14.323 -21.325 1.00 53.21 H new ATOM 0 HG21 THR A 79 -0.663 -12.070 -20.732 1.00 22.22 H new ATOM 0 HG22 THR A 79 -0.729 -11.650 -19.004 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.578 -12.691 -19.618 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.439 -13.916 -16.020 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.221 -13.159 -15.063 1.00 2.22 C ATOM 1213 C LYS A 80 -2.310 -12.387 -14.121 1.00 73.41 C ATOM 1214 O LYS A 80 -2.742 -11.402 -13.530 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.168 -14.076 -14.276 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.180 -13.323 -13.409 1.00 21.24 C ATOM 1217 CD LYS A 80 -5.882 -12.218 -14.199 1.00 33.52 C ATOM 1218 CE LYS A 80 -7.009 -11.563 -13.413 1.00 30.34 C ATOM 1219 NZ LYS A 80 -6.580 -11.151 -12.054 1.00 71.14 N ATOM 0 H LYS A 80 -2.428 -14.923 -15.860 1.00 61.35 H new ATOM 0 HA LYS A 80 -3.831 -12.443 -15.614 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.707 -14.713 -14.977 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.576 -14.733 -13.639 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.921 -14.022 -13.022 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.672 -12.889 -12.548 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.153 -11.459 -14.482 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.283 -12.635 -15.123 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -7.370 -10.691 -13.958 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.845 -12.258 -13.333 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.024 -11.771 -11.347 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -5.545 -11.225 -11.979 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.870 -10.167 -11.882 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.051 -12.841 -14.001 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.040 -12.191 -13.151 1.00 70.42 C ATOM 1235 C ASP A 81 -0.506 -12.117 -11.696 1.00 63.31 C ATOM 1236 O ASP A 81 0.016 -12.814 -10.824 1.00 51.31 O ATOM 1237 CB ASP A 81 0.282 -10.782 -13.677 1.00 15.35 C ATOM 1238 CG ASP A 81 1.294 -10.044 -12.817 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.505 -10.311 -12.950 1.00 21.22 O ATOM 1240 OD2 ASP A 81 0.888 -9.176 -12.012 1.00 53.32 O ATOM 0 H ASP A 81 -0.706 -13.667 -14.490 1.00 15.43 H new ATOM 0 HA ASP A 81 0.866 -12.797 -13.188 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.666 -10.859 -14.694 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.638 -10.200 -13.726 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.479 -11.248 -11.462 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.134 -11.089 -10.173 1.00 23.24 C ATOM 1247 C GLU A 82 -3.361 -12.008 -10.074 1.00 62.30 C ATOM 1248 O GLU A 82 -4.410 -11.719 -10.664 1.00 24.41 O ATOM 1249 CB GLU A 82 -2.563 -9.624 -10.027 1.00 2.34 C ATOM 1250 CG GLU A 82 -3.480 -9.345 -8.840 1.00 51.23 C ATOM 1251 CD GLU A 82 -4.099 -7.960 -8.908 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -4.862 -7.695 -9.864 1.00 14.04 O ATOM 1253 OE2 GLU A 82 -3.829 -7.132 -8.014 1.00 21.23 O ATOM 0 H GLU A 82 -1.842 -10.620 -12.179 1.00 51.11 H new ATOM 0 HA GLU A 82 -1.444 -11.361 -9.375 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -1.670 -9.006 -9.933 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -3.070 -9.315 -10.941 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -4.271 -10.094 -8.810 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -2.913 -9.443 -7.914 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.243 -13.144 -9.365 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.384 -14.000 -9.068 1.00 1.43 C ATOM 1262 C PRO A 83 -5.137 -13.479 -7.846 1.00 63.44 C ATOM 1263 O PRO A 83 -4.758 -13.752 -6.707 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.743 -15.362 -8.793 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.377 -15.050 -8.268 1.00 51.24 C ATOM 1266 CD PRO A 83 -1.990 -13.690 -8.811 1.00 42.23 C ATOM 0 HA PRO A 83 -5.119 -14.040 -9.872 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.324 -15.932 -8.068 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -3.689 -15.963 -9.701 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.376 -15.044 -7.178 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.661 -15.809 -8.584 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.590 -13.048 -8.026 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.220 -13.773 -9.578 1.00 42.23 H new ATOM 1274 N THR A 84 -6.182 -12.701 -8.091 1.00 62.44 N ATOM 1275 CA THR A 84 -6.885 -12.008 -7.020 1.00 64.50 C ATOM 1276 C THR A 84 -8.051 -12.842 -6.487 1.00 62.30 C ATOM 1277 O THR A 84 -8.417 -13.878 -7.067 1.00 22.53 O ATOM 1278 CB THR A 84 -7.394 -10.615 -7.481 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.969 -9.907 -6.377 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.423 -10.731 -8.600 1.00 32.20 C ATOM 0 H THR A 84 -6.562 -12.534 -9.023 1.00 62.44 H new ATOM 0 HA THR A 84 -6.168 -11.861 -6.213 1.00 64.50 H new ATOM 0 HB THR A 84 -6.534 -10.065 -7.864 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.285 -9.030 -6.680 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.754 -9.735 -8.894 1.00 32.20 H new ATOM 0 HG22 THR A 84 -7.973 -11.232 -9.457 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.278 -11.309 -8.249 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.627 -12.373 -5.379 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.726 -13.060 -4.712 1.00 53.25 C ATOM 1290 C ALA A 85 -10.873 -13.317 -5.679 1.00 55.44 C ATOM 1291 O ALA A 85 -11.576 -14.313 -5.565 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.208 -12.252 -3.509 1.00 13.24 C ATOM 0 H ALA A 85 -8.343 -11.507 -4.922 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.361 -14.024 -4.358 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -11.029 -12.779 -3.022 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.387 -12.127 -2.803 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.552 -11.273 -3.843 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.046 -12.412 -6.639 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.084 -12.555 -7.655 1.00 11.51 C ATOM 1300 C GLN A 86 -11.880 -13.839 -8.462 1.00 50.40 C ATOM 1301 O GLN A 86 -12.774 -14.693 -8.539 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.059 -11.343 -8.596 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.002 -11.462 -9.788 1.00 41.24 C ATOM 1304 CD GLN A 86 -12.861 -10.303 -10.757 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.070 -10.357 -11.697 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -13.612 -9.243 -10.522 1.00 55.22 N ATOM 0 H GLN A 86 -10.479 -11.570 -6.734 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.051 -12.610 -7.156 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.319 -10.450 -8.028 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.042 -11.202 -8.963 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.803 -12.397 -10.313 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.031 -11.510 -9.430 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -14.256 -9.239 -9.731 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -13.549 -8.428 -11.132 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.681 -13.982 -9.029 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.359 -15.135 -9.867 1.00 32.24 C ATOM 1317 C ASP A 87 -10.485 -16.403 -9.045 1.00 42.21 C ATOM 1318 O ASP A 87 -11.198 -17.336 -9.413 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.923 -15.053 -10.417 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.606 -13.740 -11.109 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.236 -13.437 -12.141 1.00 14.52 O ATOM 1322 OD2 ASP A 87 -7.706 -13.013 -10.628 1.00 21.13 O ATOM 0 H ASP A 87 -9.918 -13.313 -8.922 1.00 24.32 H new ATOM 0 HA ASP A 87 -11.055 -15.142 -10.706 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.221 -15.199 -9.596 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.766 -15.871 -11.120 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.812 -16.395 -7.901 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.762 -17.547 -7.016 1.00 12.41 C ATOM 1329 C ILE A 88 -11.153 -17.946 -6.547 1.00 62.53 C ATOM 1330 O ILE A 88 -11.486 -19.123 -6.531 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.852 -17.246 -5.806 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.439 -16.953 -6.319 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -8.852 -18.407 -4.808 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.515 -16.349 -5.305 1.00 42.04 C ATOM 0 H ILE A 88 -9.286 -15.589 -7.563 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.347 -18.386 -7.575 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.233 -16.375 -5.272 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -7.000 -17.882 -6.682 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.510 -16.279 -7.172 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.202 -18.164 -3.967 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -9.866 -18.575 -4.446 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -8.488 -19.309 -5.299 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.539 -16.177 -5.759 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -6.926 -15.401 -4.958 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -6.407 -17.029 -4.460 1.00 42.04 H new ATOM 1346 N SER A 89 -11.963 -16.964 -6.182 1.00 54.03 N ATOM 1347 CA SER A 89 -13.323 -17.223 -5.726 1.00 31.54 C ATOM 1348 C SER A 89 -14.136 -17.894 -6.836 1.00 63.41 C ATOM 1349 O SER A 89 -14.808 -18.906 -6.601 1.00 50.42 O ATOM 1350 CB SER A 89 -13.995 -15.920 -5.274 1.00 55.52 C ATOM 1351 OG SER A 89 -15.259 -16.161 -4.677 1.00 41.44 O ATOM 0 H SER A 89 -11.703 -15.978 -6.192 1.00 54.03 H new ATOM 0 HA SER A 89 -13.282 -17.899 -4.872 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.349 -15.405 -4.563 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.118 -15.258 -6.131 1.00 55.52 H new ATOM 0 HG SER A 89 -15.658 -15.310 -4.400 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.057 -17.347 -8.054 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.775 -17.923 -9.192 1.00 54.03 C ATOM 1359 C ARG A 90 -14.296 -19.357 -9.451 1.00 24.50 C ATOM 1360 O ARG A 90 -15.089 -20.307 -9.427 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.590 -17.058 -10.454 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.176 -15.651 -10.330 1.00 50.34 C ATOM 1363 CD ARG A 90 -15.001 -14.836 -11.610 1.00 62.12 C ATOM 1364 NE ARG A 90 -15.517 -13.470 -11.461 1.00 24.24 N ATOM 1365 CZ ARG A 90 -15.718 -12.622 -12.473 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -15.535 -13.018 -13.726 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -16.143 -11.390 -12.224 1.00 40.20 N ATOM 0 H ARG A 90 -13.509 -16.515 -8.274 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.838 -17.946 -8.950 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.526 -16.980 -10.677 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -15.056 -17.562 -11.300 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -16.237 -15.721 -10.089 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.695 -15.131 -9.502 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -13.944 -14.799 -11.876 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -15.519 -15.333 -12.431 1.00 62.12 H new ATOM 0 HE ARG A 90 -15.737 -13.146 -10.519 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -15.239 -13.975 -13.920 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -15.690 -12.366 -14.495 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -16.315 -11.094 -11.263 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -16.298 -10.739 -12.994 1.00 40.20 H new ATOM 1381 N VAL A 91 -12.992 -19.512 -9.644 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.398 -20.822 -9.902 1.00 73.33 C ATOM 1383 C VAL A 91 -12.790 -21.815 -8.803 1.00 11.43 C ATOM 1384 O VAL A 91 -13.293 -22.917 -9.081 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.851 -20.730 -9.979 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.229 -22.108 -10.180 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.411 -19.772 -11.086 1.00 44.15 C ATOM 0 H VAL A 91 -12.321 -18.744 -9.627 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.778 -21.172 -10.862 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.496 -20.334 -9.028 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.144 -22.014 -10.230 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.499 -22.754 -9.345 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.599 -22.542 -11.109 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.322 -19.727 -11.117 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.787 -20.127 -12.045 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.810 -18.777 -10.886 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.584 -21.390 -7.557 1.00 14.51 N ATOM 1398 CA ALA A 92 -12.828 -22.232 -6.391 1.00 51.41 C ATOM 1399 C ALA A 92 -14.285 -22.660 -6.312 1.00 45.24 C ATOM 1400 O ALA A 92 -14.582 -23.790 -5.933 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.418 -21.519 -5.106 1.00 45.23 C ATOM 0 H ALA A 92 -12.244 -20.455 -7.330 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.216 -23.127 -6.502 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -12.610 -22.169 -4.252 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.356 -21.278 -5.147 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -12.995 -20.600 -5.000 1.00 45.23 H new ATOM 1407 N SER A 93 -15.193 -21.759 -6.670 1.00 15.05 N ATOM 1408 CA SER A 93 -16.609 -22.069 -6.639 1.00 62.23 C ATOM 1409 C SER A 93 -16.955 -23.075 -7.734 1.00 73.41 C ATOM 1410 O SER A 93 -17.806 -23.946 -7.533 1.00 13.21 O ATOM 1411 CB SER A 93 -17.448 -20.795 -6.770 1.00 70.15 C ATOM 1412 OG SER A 93 -17.064 -20.025 -7.890 1.00 11.51 O ATOM 0 H SER A 93 -14.971 -20.814 -6.983 1.00 15.05 H new ATOM 0 HA SER A 93 -16.845 -22.521 -5.676 1.00 62.23 H new ATOM 0 HB2 SER A 93 -18.501 -21.061 -6.856 1.00 70.15 H new ATOM 0 HB3 SER A 93 -17.344 -20.197 -5.865 1.00 70.15 H new ATOM 0 HG SER A 93 -16.375 -20.504 -8.396 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.286 -22.970 -8.887 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.517 -23.933 -9.969 1.00 3.43 C ATOM 1420 C ARG A 94 -16.091 -25.335 -9.542 1.00 32.51 C ATOM 1421 O ARG A 94 -16.885 -26.272 -9.592 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.722 -23.562 -11.219 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.829 -22.110 -11.631 1.00 61.23 C ATOM 1424 CD ARG A 94 -17.281 -21.664 -11.776 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.393 -20.342 -12.404 1.00 3.54 N ATOM 1426 CZ ARG A 94 -18.436 -19.947 -13.146 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -19.477 -20.750 -13.325 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -18.442 -18.743 -13.702 1.00 21.02 N ATOM 0 H ARG A 94 -15.597 -22.247 -9.093 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.584 -23.912 -10.191 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.672 -23.800 -11.049 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -16.061 -24.186 -12.046 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.330 -21.485 -10.891 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.308 -21.962 -12.577 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.826 -22.395 -12.372 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.752 -21.639 -10.793 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.628 -19.682 -12.267 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -19.487 -21.675 -12.896 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -20.267 -20.442 -13.891 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -17.651 -18.114 -13.565 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -19.238 -18.446 -14.266 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.831 -25.474 -9.115 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.355 -26.760 -8.567 1.00 15.52 C ATOM 1444 C LEU A 95 -15.143 -27.187 -7.324 1.00 70.41 C ATOM 1445 O LEU A 95 -15.284 -28.382 -7.065 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.841 -26.750 -8.270 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.319 -25.596 -7.393 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -11.868 -26.098 -6.023 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.181 -24.859 -8.098 1.00 73.21 C ATOM 0 H LEU A 95 -14.131 -24.732 -9.135 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.534 -27.499 -9.348 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.583 -27.691 -7.784 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.307 -26.725 -9.220 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.141 -24.898 -7.236 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.505 -25.259 -5.429 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -12.709 -26.567 -5.512 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.067 -26.827 -6.148 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.825 -24.047 -7.464 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.363 -25.553 -8.292 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.542 -24.450 -9.042 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.661 -26.223 -6.564 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.516 -26.538 -5.415 1.00 52.43 C ATOM 1463 C ALA A 96 -17.787 -27.242 -5.885 1.00 51.03 C ATOM 1464 O ALA A 96 -18.259 -28.193 -5.257 1.00 52.32 O ATOM 1465 CB ALA A 96 -16.865 -25.278 -4.631 1.00 5.15 C ATOM 0 H ALA A 96 -15.507 -25.227 -6.719 1.00 40.45 H new ATOM 0 HA ALA A 96 -15.966 -27.205 -4.751 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.500 -25.540 -3.785 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -15.950 -24.811 -4.267 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.395 -24.581 -5.280 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.338 -26.758 -6.996 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.479 -27.401 -7.636 1.00 4.04 C ATOM 1473 C ALA A 97 -19.010 -28.606 -8.447 1.00 60.22 C ATOM 1474 O ALA A 97 -19.800 -29.491 -8.781 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.219 -26.409 -8.528 1.00 52.53 C ATOM 0 H ALA A 97 -18.009 -25.918 -7.472 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.168 -27.745 -6.865 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -21.068 -26.905 -8.998 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.575 -25.573 -7.925 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.543 -26.038 -9.299 1.00 52.53 H new ATOM 1481 N GLY A 98 -17.709 -28.633 -8.730 1.00 10.24 N ATOM 1482 CA GLY A 98 -17.106 -29.700 -9.512 1.00 71.13 C ATOM 1483 C GLY A 98 -16.914 -30.985 -8.725 1.00 75.14 C ATOM 1484 O GLY A 98 -16.153 -31.863 -9.140 1.00 24.30 O ATOM 0 H GLY A 98 -17.050 -27.918 -8.423 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -17.733 -29.904 -10.380 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -16.140 -29.364 -9.888 1.00 71.13 H new ATOM 1488 N GLY A 99 -17.569 -31.082 -7.570 1.00 44.44 N ATOM 1489 CA GLY A 99 -17.657 -32.355 -6.880 1.00 11.31 C ATOM 1490 C GLY A 99 -18.451 -33.331 -7.720 1.00 2.41 C ATOM 1491 O GLY A 99 -19.436 -32.931 -8.346 1.00 24.34 O ATOM 0 H GLY A 99 -18.037 -30.305 -7.103 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -16.658 -32.749 -6.693 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -18.134 -32.222 -5.909 1.00 11.31 H new ATOM 1495 N TRP A 100 -18.046 -34.600 -7.763 1.00 33.12 N ATOM 1496 CA TRP A 100 -18.691 -35.549 -8.670 1.00 54.53 C ATOM 1497 C TRP A 100 -19.560 -36.590 -7.956 1.00 63.43 C ATOM 1498 O TRP A 100 -19.114 -37.704 -7.673 1.00 14.14 O ATOM 1499 CB TRP A 100 -17.637 -36.259 -9.543 1.00 53.11 C ATOM 1500 CG TRP A 100 -17.264 -35.502 -10.785 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -16.438 -34.417 -10.880 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -17.709 -35.786 -12.117 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -16.351 -34.006 -12.190 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -17.124 -34.830 -12.967 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -18.556 -36.754 -12.668 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -17.350 -34.822 -14.343 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -18.779 -36.745 -14.031 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -18.183 -35.782 -14.855 1.00 25.43 C ATOM 0 H TRP A 100 -17.293 -34.988 -7.195 1.00 33.12 H new ATOM 0 HA TRP A 100 -19.361 -34.959 -9.295 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -16.739 -36.425 -8.948 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -18.017 -37.240 -9.828 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -15.929 -33.951 -10.049 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -15.801 -33.217 -12.528 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -19.027 -37.495 -12.039 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -16.885 -34.086 -14.982 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -19.424 -37.493 -14.469 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -18.384 -35.796 -15.916 1.00 25.43 H new ATOM 1519 N PRO A 101 -20.799 -36.203 -7.594 1.00 54.45 N ATOM 1520 CA PRO A 101 -21.948 -37.089 -7.537 1.00 61.44 C ATOM 1521 C PRO A 101 -22.958 -36.685 -8.623 1.00 74.42 C ATOM 1522 O PRO A 101 -24.085 -37.182 -8.678 1.00 34.13 O ATOM 1523 CB PRO A 101 -22.492 -36.756 -6.150 1.00 45.13 C ATOM 1524 CG PRO A 101 -22.252 -35.274 -6.012 1.00 52.13 C ATOM 1525 CD PRO A 101 -21.171 -34.901 -7.020 1.00 25.12 C ATOM 0 HA PRO A 101 -21.733 -38.146 -7.695 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -23.552 -36.998 -6.068 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -21.975 -37.318 -5.373 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -23.168 -34.716 -6.205 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -21.936 -35.027 -4.998 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -21.546 -34.216 -7.780 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -20.322 -34.413 -6.541 1.00 25.12 H new ATOM 1533 N LEU A 102 -22.508 -35.774 -9.491 1.00 10.31 N ATOM 1534 CA LEU A 102 -23.369 -35.035 -10.408 1.00 74.21 C ATOM 1535 C LEU A 102 -22.859 -35.138 -11.845 1.00 33.31 C ATOM 1536 O LEU A 102 -21.671 -34.940 -12.108 1.00 3.42 O ATOM 1537 CB LEU A 102 -23.408 -33.557 -9.968 1.00 54.21 C ATOM 1538 CG LEU A 102 -23.976 -32.547 -10.986 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -25.464 -32.776 -11.226 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -23.719 -31.116 -10.518 1.00 12.44 C ATOM 0 H LEU A 102 -21.521 -35.529 -9.575 1.00 10.31 H new ATOM 0 HA LEU A 102 -24.371 -35.463 -10.378 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -23.999 -33.489 -9.055 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -22.393 -33.250 -9.714 1.00 54.21 H new ATOM 0 HG LEU A 102 -23.461 -32.702 -11.934 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -25.832 -32.047 -11.948 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -25.619 -33.783 -11.614 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -26.006 -32.662 -10.287 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -24.126 -30.416 -11.248 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -24.201 -30.956 -9.554 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -22.646 -30.953 -10.418 1.00 12.44 H new ATOM 1552 N ALA A 103 -23.763 -35.454 -12.764 1.00 35.13 N ATOM 1553 CA ALA A 103 -23.454 -35.434 -14.190 1.00 1.22 C ATOM 1554 C ALA A 103 -23.707 -34.036 -14.749 1.00 44.52 C ATOM 1555 O ALA A 103 -24.770 -33.755 -15.307 1.00 71.31 O ATOM 1556 CB ALA A 103 -24.281 -36.479 -14.933 1.00 34.24 C ATOM 0 H ALA A 103 -24.721 -35.729 -12.547 1.00 35.13 H new ATOM 0 HA ALA A 103 -22.402 -35.682 -14.332 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -24.037 -36.449 -15.995 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -24.057 -37.469 -14.537 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -25.342 -36.266 -14.799 1.00 34.24 H new ATOM 1562 N GLY A 104 -22.734 -33.151 -14.547 1.00 1.03 N ATOM 1563 CA GLY A 104 -22.863 -31.765 -14.964 1.00 34.40 C ATOM 1564 C GLY A 104 -21.708 -31.317 -15.823 1.00 2.44 C ATOM 1565 O GLY A 104 -20.833 -30.582 -15.364 1.00 60.53 O ATOM 0 H GLY A 104 -21.847 -33.374 -14.096 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -23.794 -31.639 -15.516 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -22.927 -31.127 -14.083 1.00 34.40 H new ATOM 1569 N VAL A 105 -21.702 -31.757 -17.069 1.00 75.25 N ATOM 1570 CA VAL A 105 -20.626 -31.415 -17.989 1.00 23.35 C ATOM 1571 C VAL A 105 -21.169 -30.545 -19.124 1.00 14.03 C ATOM 1572 O VAL A 105 -20.610 -30.497 -20.225 1.00 43.04 O ATOM 1573 CB VAL A 105 -19.945 -32.687 -18.562 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -18.459 -32.429 -18.770 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -20.163 -33.898 -17.651 1.00 71.45 C ATOM 0 H VAL A 105 -22.428 -32.351 -17.469 1.00 75.25 H new ATOM 0 HA VAL A 105 -19.871 -30.856 -17.437 1.00 23.35 H new ATOM 0 HB VAL A 105 -20.404 -32.917 -19.524 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -17.987 -33.325 -19.172 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -18.327 -31.604 -19.470 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -17.997 -32.172 -17.817 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -19.673 -34.771 -18.082 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -19.740 -33.694 -16.667 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -21.231 -34.093 -17.554 1.00 71.45 H new ATOM 1585 N ASP A 106 -22.259 -29.837 -18.828 1.00 34.34 N ATOM 1586 CA ASP A 106 -22.932 -28.987 -19.810 1.00 34.40 C ATOM 1587 C ASP A 106 -21.992 -27.894 -20.312 1.00 44.13 C ATOM 1588 O ASP A 106 -21.852 -26.843 -19.682 1.00 12.44 O ATOM 1589 CB ASP A 106 -24.189 -28.350 -19.199 1.00 3.44 C ATOM 1590 CG ASP A 106 -25.053 -29.356 -18.457 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -25.868 -30.050 -19.102 1.00 25.55 O ATOM 1592 OD2 ASP A 106 -24.908 -29.469 -17.218 1.00 61.24 O ATOM 0 H ASP A 106 -22.698 -29.836 -17.907 1.00 34.34 H new ATOM 0 HA ASP A 106 -23.225 -29.613 -20.653 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -23.893 -27.556 -18.514 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -24.777 -27.885 -19.990 1.00 3.44 H new ATOM 1597 N SER A 107 -21.346 -28.157 -21.444 1.00 25.45 N ATOM 1598 CA SER A 107 -20.366 -27.239 -22.019 1.00 20.22 C ATOM 1599 C SER A 107 -20.974 -25.852 -22.258 1.00 62.13 C ATOM 1600 O SER A 107 -20.322 -24.828 -22.036 1.00 71.25 O ATOM 1601 CB SER A 107 -19.828 -27.822 -23.330 1.00 31.03 C ATOM 1602 OG SER A 107 -19.455 -29.180 -23.155 1.00 63.21 O ATOM 0 H SER A 107 -21.486 -29.009 -21.987 1.00 25.45 H new ATOM 0 HA SER A 107 -19.546 -27.120 -21.311 1.00 20.22 H new ATOM 0 HB2 SER A 107 -20.588 -27.745 -24.108 1.00 31.03 H new ATOM 0 HB3 SER A 107 -18.968 -27.243 -23.666 1.00 31.03 H new ATOM 0 HG SER A 107 -19.115 -29.538 -24.002 1.00 63.21 H new ATOM 1608 N THR A 108 -22.236 -25.830 -22.675 1.00 52.43 N ATOM 1609 CA THR A 108 -22.935 -24.585 -22.974 1.00 65.30 C ATOM 1610 C THR A 108 -23.098 -23.722 -21.718 1.00 75.14 C ATOM 1611 O THR A 108 -23.217 -22.499 -21.806 1.00 15.14 O ATOM 1612 CB THR A 108 -24.321 -24.881 -23.583 1.00 33.03 C ATOM 1613 OG1 THR A 108 -25.030 -25.796 -22.736 1.00 25.35 O ATOM 1614 CG2 THR A 108 -24.194 -25.475 -24.984 1.00 32.14 C ATOM 0 H THR A 108 -22.800 -26.669 -22.814 1.00 52.43 H new ATOM 0 HA THR A 108 -22.333 -24.033 -23.695 1.00 65.30 H new ATOM 0 HB THR A 108 -24.869 -23.942 -23.659 1.00 33.03 H new ATOM 0 HG1 THR A 108 -25.911 -25.983 -23.122 1.00 25.35 H new ATOM 0 HG21 THR A 108 -25.187 -25.673 -25.387 1.00 32.14 H new ATOM 0 HG22 THR A 108 -23.673 -24.770 -25.632 1.00 32.14 H new ATOM 0 HG23 THR A 108 -23.630 -26.407 -24.934 1.00 32.14 H new ATOM 1622 N ALA A 109 -23.077 -24.366 -20.551 1.00 54.00 N ATOM 1623 CA ALA A 109 -23.242 -23.673 -19.273 1.00 24.21 C ATOM 1624 C ALA A 109 -21.917 -23.638 -18.523 1.00 11.04 C ATOM 1625 O ALA A 109 -21.847 -23.210 -17.371 1.00 23.33 O ATOM 1626 CB ALA A 109 -24.314 -24.364 -18.436 1.00 14.02 C ATOM 0 H ALA A 109 -22.946 -25.374 -20.464 1.00 54.00 H new ATOM 0 HA ALA A 109 -23.560 -22.648 -19.463 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -24.429 -23.840 -17.487 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -25.261 -24.350 -18.975 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -24.019 -25.396 -18.247 1.00 14.02 H new ATOM 1632 N LEU A 110 -20.858 -24.069 -19.201 1.00 1.22 N ATOM 1633 CA LEU A 110 -19.531 -24.170 -18.606 1.00 62.21 C ATOM 1634 C LEU A 110 -18.662 -23.019 -19.110 1.00 32.34 C ATOM 1635 O LEU A 110 -17.444 -23.136 -19.226 1.00 74.23 O ATOM 1636 CB LEU A 110 -18.911 -25.530 -18.969 1.00 35.40 C ATOM 1637 CG LEU A 110 -17.681 -25.943 -18.148 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -18.036 -26.050 -16.667 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -17.105 -27.260 -18.667 1.00 71.20 C ATOM 0 H LEU A 110 -20.896 -24.358 -20.178 1.00 1.22 H new ATOM 0 HA LEU A 110 -19.600 -24.101 -17.520 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -19.675 -26.299 -18.855 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -18.632 -25.511 -20.023 1.00 35.40 H new ATOM 0 HG LEU A 110 -16.918 -25.173 -18.259 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -17.152 -26.344 -16.101 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -18.393 -25.085 -16.308 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -18.817 -26.798 -16.533 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -16.234 -27.536 -18.072 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -17.860 -28.043 -18.590 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -16.810 -27.142 -19.710 1.00 71.20 H new ATOM 1651 N ASN A 111 -19.315 -21.901 -19.405 1.00 2.03 N ATOM 1652 CA ASN A 111 -18.641 -20.714 -19.918 1.00 51.20 C ATOM 1653 C ASN A 111 -19.382 -19.458 -19.458 1.00 3.43 C ATOM 1654 O ASN A 111 -19.286 -18.397 -20.080 1.00 20.31 O ATOM 1655 CB ASN A 111 -18.569 -20.773 -21.456 1.00 51.14 C ATOM 1656 CG ASN A 111 -19.937 -20.807 -22.121 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -20.513 -19.769 -22.440 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -20.460 -22.002 -22.341 1.00 71.21 N ATOM 0 H ASN A 111 -20.323 -21.792 -19.296 1.00 2.03 H new ATOM 0 HA ASN A 111 -17.624 -20.679 -19.528 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -18.017 -19.907 -21.821 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -18.006 -21.658 -21.753 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -21.372 -22.085 -22.790 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -19.951 -22.841 -22.062 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.087 -19.584 -18.335 1.00 65.35 N ATOM 1666 CA ALA A 112 -20.919 -18.511 -17.804 1.00 3.51 C ATOM 1667 C ALA A 112 -21.362 -18.854 -16.379 1.00 55.23 C ATOM 1668 O ALA A 112 -22.477 -19.392 -16.200 1.00 20.44 O ATOM 1669 CB ALA A 112 -22.125 -18.265 -18.716 1.00 24.13 C ATOM 1670 OXT ALA A 112 -20.578 -18.606 -15.437 1.00 0.00 O ATOM 0 H ALA A 112 -20.096 -20.433 -17.770 1.00 65.35 H new ATOM 0 HA ALA A 112 -20.336 -17.590 -17.771 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -22.735 -17.461 -18.304 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -21.778 -17.984 -19.710 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -22.722 -19.175 -18.783 1.00 24.13 H new TER 1676 ALA A 112