USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 LYS NZ :NH3+ -155:sc= 0.591 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= 0.542 K(o=1.1,f=-1.8) USER MOD Set 2.1: A 10 TYR OH : rot -80:sc= 0.773 USER MOD Set 2.2: A 56 GLN : amide:sc= 1.07 K(o=1.8,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.128 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 18 THR OG1 : rot 130:sc= -0.629 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 72:sc= 0.989 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= -0.0596 (180deg=-0.998) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.19) USER MOD Single : A 39 MET CE :methyl -175:sc= -0.228 (180deg=-0.319) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.47 X(o=-1.5,f=-0.97) USER MOD Single : A 57 MET CE :methyl -151:sc= -13.2! (180deg=-14.7!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 116:sc=-0.00145 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 74 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.38) USER MOD Single : A 76 MET CE :methyl -116:sc= -3.42! (180deg=-3.49!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= -0.945 USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= 0.796 (180deg=0.108) USER MOD Single : A 81 GLN : amide:sc= -0.713 K(o=-0.71,f=-1.2) USER MOD Single : A 83 MET CE :methyl -119:sc= -3.35 (180deg=-5.55!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -35:sc= 0.751 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.561 -4.520 2.591 1.00 0.00 N ATOM 2 CA GLY A 1 -34.986 -5.839 2.792 1.00 0.00 C ATOM 3 C GLY A 1 -33.548 -5.739 3.304 1.00 0.00 C ATOM 4 O GLY A 1 -32.997 -4.644 3.408 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.412 -4.419 3.181 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.866 -3.794 2.858 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.817 -4.402 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.591 -6.399 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.004 -6.394 1.854 1.00 0.00 H new ATOM 8 N SER A 2 -32.980 -6.896 3.610 1.00 0.00 N ATOM 9 CA SER A 2 -31.616 -6.952 4.108 1.00 0.00 C ATOM 10 C SER A 2 -30.729 -7.711 3.119 1.00 0.00 C ATOM 11 O SER A 2 -31.176 -8.665 2.484 1.00 0.00 O ATOM 12 CB SER A 2 -31.561 -7.613 5.487 1.00 0.00 C ATOM 13 OG SER A 2 -31.594 -6.654 6.540 1.00 0.00 O ATOM 0 H SER A 2 -33.440 -7.802 3.523 1.00 0.00 H new ATOM 0 HA SER A 2 -31.246 -5.932 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.402 -8.298 5.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.652 -8.209 5.568 1.00 0.00 H new ATOM 0 HG SER A 2 -31.559 -7.115 7.404 1.00 0.00 H new ATOM 19 N SER A 3 -29.487 -7.260 3.020 1.00 0.00 N ATOM 20 CA SER A 3 -28.533 -7.884 2.120 1.00 0.00 C ATOM 21 C SER A 3 -27.141 -7.889 2.754 1.00 0.00 C ATOM 22 O SER A 3 -26.687 -6.870 3.272 1.00 0.00 O ATOM 23 CB SER A 3 -28.499 -7.166 0.770 1.00 0.00 C ATOM 24 OG SER A 3 -27.834 -5.908 0.851 1.00 0.00 O ATOM 0 H SER A 3 -29.119 -6.469 3.549 1.00 0.00 H new ATOM 0 HA SER A 3 -28.849 -8.913 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.995 -7.796 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.518 -7.015 0.414 1.00 0.00 H new ATOM 0 HG SER A 3 -27.832 -5.482 -0.031 1.00 0.00 H new ATOM 30 N GLY A 4 -26.502 -9.048 2.693 1.00 0.00 N ATOM 31 CA GLY A 4 -25.171 -9.199 3.255 1.00 0.00 C ATOM 32 C GLY A 4 -24.131 -8.461 2.409 1.00 0.00 C ATOM 33 O GLY A 4 -24.333 -7.305 2.041 1.00 0.00 O ATOM 0 H GLY A 4 -26.882 -9.891 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.157 -8.812 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.914 -10.257 3.312 1.00 0.00 H new ATOM 37 N SER A 5 -23.042 -9.160 2.125 1.00 0.00 N ATOM 38 CA SER A 5 -21.971 -8.586 1.329 1.00 0.00 C ATOM 39 C SER A 5 -21.053 -9.694 0.810 1.00 0.00 C ATOM 40 O SER A 5 -21.158 -10.843 1.236 1.00 0.00 O ATOM 41 CB SER A 5 -21.167 -7.567 2.140 1.00 0.00 C ATOM 42 OG SER A 5 -21.277 -6.252 1.603 1.00 0.00 O ATOM 0 H SER A 5 -22.878 -10.119 2.432 1.00 0.00 H new ATOM 0 HA SER A 5 -22.417 -8.065 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.517 -7.568 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.119 -7.865 2.159 1.00 0.00 H new ATOM 0 HG SER A 5 -20.752 -5.631 2.149 1.00 0.00 H new ATOM 48 N SER A 6 -20.172 -9.311 -0.103 1.00 0.00 N ATOM 49 CA SER A 6 -19.236 -10.258 -0.684 1.00 0.00 C ATOM 50 C SER A 6 -18.147 -9.510 -1.455 1.00 0.00 C ATOM 51 O SER A 6 -18.416 -8.488 -2.085 1.00 0.00 O ATOM 52 CB SER A 6 -19.954 -11.247 -1.605 1.00 0.00 C ATOM 53 OG SER A 6 -19.463 -12.575 -1.447 1.00 0.00 O ATOM 0 H SER A 6 -20.087 -8.357 -0.455 1.00 0.00 H new ATOM 0 HA SER A 6 -18.776 -10.825 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.023 -11.228 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.828 -10.935 -2.642 1.00 0.00 H new ATOM 0 HG SER A 6 -19.947 -13.177 -2.050 1.00 0.00 H new ATOM 59 N GLY A 7 -16.938 -10.048 -1.381 1.00 0.00 N ATOM 60 CA GLY A 7 -15.807 -9.445 -2.064 1.00 0.00 C ATOM 61 C GLY A 7 -14.487 -10.041 -1.571 1.00 0.00 C ATOM 62 O GLY A 7 -14.066 -9.778 -0.445 1.00 0.00 O ATOM 0 H GLY A 7 -16.718 -10.895 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.901 -9.601 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.809 -8.368 -1.897 1.00 0.00 H new ATOM 66 N GLU A 8 -13.871 -10.832 -2.437 1.00 0.00 N ATOM 67 CA GLU A 8 -12.607 -11.467 -2.103 1.00 0.00 C ATOM 68 C GLU A 8 -11.500 -10.967 -3.032 1.00 0.00 C ATOM 69 O GLU A 8 -11.748 -10.684 -4.203 1.00 0.00 O ATOM 70 CB GLU A 8 -12.727 -12.991 -2.163 1.00 0.00 C ATOM 71 CG GLU A 8 -12.943 -13.467 -3.601 1.00 0.00 C ATOM 72 CD GLU A 8 -12.005 -14.627 -3.941 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.297 -15.749 -3.473 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.017 -14.366 -4.661 1.00 0.00 O ATOM 0 H GLU A 8 -14.223 -11.048 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.345 -11.196 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.824 -13.447 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.558 -13.319 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.978 -13.781 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.771 -12.641 -4.291 1.00 0.00 H new ATOM 81 N GLY A 9 -10.301 -10.872 -2.475 1.00 0.00 N ATOM 82 CA GLY A 9 -9.155 -10.411 -3.240 1.00 0.00 C ATOM 83 C GLY A 9 -8.620 -9.090 -2.683 1.00 0.00 C ATOM 84 O GLY A 9 -9.236 -8.041 -2.865 1.00 0.00 O ATOM 0 H GLY A 9 -10.099 -11.106 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.369 -11.166 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.439 -10.281 -4.284 1.00 0.00 H new ATOM 88 N TYR A 10 -7.480 -9.184 -2.015 1.00 0.00 N ATOM 89 CA TYR A 10 -6.855 -8.010 -1.430 1.00 0.00 C ATOM 90 C TYR A 10 -6.061 -7.231 -2.481 1.00 0.00 C ATOM 91 O TYR A 10 -6.342 -6.060 -2.733 1.00 0.00 O ATOM 92 CB TYR A 10 -5.891 -8.532 -0.363 1.00 0.00 C ATOM 93 CG TYR A 10 -6.576 -8.971 0.933 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.461 -8.124 1.567 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.308 -10.215 1.467 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.105 -8.538 2.787 1.00 0.00 C ATOM 97 CE2 TYR A 10 -6.952 -10.629 2.687 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.819 -9.770 3.286 1.00 0.00 C ATOM 99 OH TYR A 10 -8.428 -10.160 4.438 1.00 0.00 O ATOM 0 H TYR A 10 -6.972 -10.056 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.609 -7.339 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.335 -9.376 -0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.164 -7.753 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.671 -7.151 1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.615 -10.878 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.799 -7.885 3.294 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.751 -11.599 3.116 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.965 -9.761 5.204 1.00 0.00 H new ATOM 109 N GLU A 11 -5.086 -7.912 -3.064 1.00 0.00 N ATOM 110 CA GLU A 11 -4.250 -7.299 -4.082 1.00 0.00 C ATOM 111 C GLU A 11 -5.086 -6.378 -4.972 1.00 0.00 C ATOM 112 O GLU A 11 -4.749 -5.209 -5.153 1.00 0.00 O ATOM 113 CB GLU A 11 -3.530 -8.362 -4.914 1.00 0.00 C ATOM 114 CG GLU A 11 -2.811 -9.369 -4.014 1.00 0.00 C ATOM 115 CD GLU A 11 -3.608 -10.670 -3.902 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.453 -10.741 -2.983 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.355 -11.565 -4.738 1.00 0.00 O ATOM 0 H GLU A 11 -4.856 -8.883 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.489 -6.698 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.249 -8.883 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.810 -7.883 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.820 -9.579 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.668 -8.939 -3.023 1.00 0.00 H new ATOM 124 N GLN A 12 -6.161 -6.940 -5.506 1.00 0.00 N ATOM 125 CA GLN A 12 -7.049 -6.184 -6.373 1.00 0.00 C ATOM 126 C GLN A 12 -7.309 -4.796 -5.786 1.00 0.00 C ATOM 127 O GLN A 12 -7.267 -3.797 -6.502 1.00 0.00 O ATOM 128 CB GLN A 12 -8.360 -6.936 -6.605 1.00 0.00 C ATOM 129 CG GLN A 12 -9.084 -6.407 -7.844 1.00 0.00 C ATOM 130 CD GLN A 12 -10.407 -7.144 -8.064 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.548 -8.320 -7.770 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.365 -6.391 -8.595 1.00 0.00 N ATOM 0 H GLN A 12 -6.437 -7.910 -5.355 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.563 -6.062 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.157 -8.000 -6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.003 -6.831 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.273 -5.339 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.447 -6.527 -8.720 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.180 -5.413 -8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.285 -6.791 -8.780 1.00 0.00 H new ATOM 141 N ASP A 13 -7.573 -4.777 -4.487 1.00 0.00 N ATOM 142 CA ASP A 13 -7.840 -3.528 -3.796 1.00 0.00 C ATOM 143 C ASP A 13 -6.530 -2.759 -3.615 1.00 0.00 C ATOM 144 O ASP A 13 -6.497 -1.538 -3.760 1.00 0.00 O ATOM 145 CB ASP A 13 -8.434 -3.782 -2.409 1.00 0.00 C ATOM 146 CG ASP A 13 -9.789 -3.119 -2.154 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.775 -3.591 -2.761 1.00 0.00 O ATOM 148 OD2 ASP A 13 -9.809 -2.155 -1.359 1.00 0.00 O ATOM 0 H ASP A 13 -7.607 -5.607 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.551 -2.958 -4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.540 -4.858 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.727 -3.430 -1.658 1.00 0.00 H new ATOM 153 N PHE A 14 -5.481 -3.506 -3.302 1.00 0.00 N ATOM 154 CA PHE A 14 -4.172 -2.910 -3.100 1.00 0.00 C ATOM 155 C PHE A 14 -3.706 -2.170 -4.356 1.00 0.00 C ATOM 156 O PHE A 14 -3.532 -0.953 -4.335 1.00 0.00 O ATOM 157 CB PHE A 14 -3.200 -4.055 -2.807 1.00 0.00 C ATOM 158 CG PHE A 14 -1.793 -3.593 -2.422 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.599 -2.880 -1.281 1.00 0.00 C ATOM 160 CD2 PHE A 14 -0.735 -3.896 -3.222 1.00 0.00 C ATOM 161 CE1 PHE A 14 -0.293 -2.452 -0.924 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.571 -3.468 -2.865 1.00 0.00 C ATOM 163 CZ PHE A 14 0.764 -2.754 -1.723 1.00 0.00 C ATOM 0 H PHE A 14 -5.512 -4.519 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.213 -2.191 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.605 -4.664 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.133 -4.695 -3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.439 -2.639 -0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.889 -4.462 -4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.140 -1.886 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.411 -3.709 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.757 -2.427 -1.452 1.00 0.00 H new ATOM 173 N ALA A 15 -3.519 -2.937 -5.420 1.00 0.00 N ATOM 174 CA ALA A 15 -3.078 -2.370 -6.683 1.00 0.00 C ATOM 175 C ALA A 15 -3.944 -1.155 -7.022 1.00 0.00 C ATOM 176 O ALA A 15 -3.424 -0.079 -7.313 1.00 0.00 O ATOM 177 CB ALA A 15 -3.128 -3.444 -7.771 1.00 0.00 C ATOM 0 H ALA A 15 -3.665 -3.946 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.045 -2.029 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.797 -3.018 -8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.473 -4.271 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.150 -3.810 -7.875 1.00 0.00 H new ATOM 183 N VAL A 16 -5.251 -1.369 -6.974 1.00 0.00 N ATOM 184 CA VAL A 16 -6.195 -0.305 -7.272 1.00 0.00 C ATOM 185 C VAL A 16 -5.905 0.896 -6.370 1.00 0.00 C ATOM 186 O VAL A 16 -6.084 2.042 -6.779 1.00 0.00 O ATOM 187 CB VAL A 16 -7.628 -0.823 -7.136 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.607 0.328 -6.903 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.031 -1.647 -8.361 1.00 0.00 C ATOM 0 H VAL A 16 -5.678 -2.263 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.081 0.028 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.667 -1.477 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.618 -0.068 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.338 0.855 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.564 1.019 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.054 -2.004 -8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.967 -1.026 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.359 -2.499 -8.463 1.00 0.00 H new ATOM 199 N LEU A 17 -5.462 0.592 -5.158 1.00 0.00 N ATOM 200 CA LEU A 17 -5.146 1.633 -4.195 1.00 0.00 C ATOM 201 C LEU A 17 -3.843 2.322 -4.604 1.00 0.00 C ATOM 202 O LEU A 17 -3.848 3.491 -4.987 1.00 0.00 O ATOM 203 CB LEU A 17 -5.120 1.059 -2.776 1.00 0.00 C ATOM 204 CG LEU A 17 -6.446 1.091 -2.015 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.354 0.285 -0.718 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.900 2.530 -1.764 1.00 0.00 C ATOM 0 H LEU A 17 -5.315 -0.360 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.923 2.398 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.780 0.025 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.378 1.609 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.207 0.617 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.310 0.324 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.110 -0.752 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.576 0.707 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.845 2.524 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.146 3.052 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.032 3.041 -2.717 1.00 0.00 H new ATOM 218 N THR A 18 -2.757 1.569 -4.508 1.00 0.00 N ATOM 219 CA THR A 18 -1.449 2.092 -4.863 1.00 0.00 C ATOM 220 C THR A 18 -1.539 2.928 -6.141 1.00 0.00 C ATOM 221 O THR A 18 -1.118 4.084 -6.163 1.00 0.00 O ATOM 222 CB THR A 18 -0.482 0.913 -4.975 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.210 -0.065 -5.713 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.219 0.241 -3.626 1.00 0.00 C ATOM 0 H THR A 18 -2.756 0.600 -4.189 1.00 0.00 H new ATOM 0 HA THR A 18 -1.071 2.768 -4.095 1.00 0.00 H new ATOM 0 HB THR A 18 0.461 1.257 -5.399 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.659 -0.392 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.474 -0.589 -3.762 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.214 0.966 -2.937 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.157 -0.133 -3.217 1.00 0.00 H new ATOM 232 N ALA A 19 -2.090 2.311 -7.176 1.00 0.00 N ATOM 233 CA ALA A 19 -2.240 2.984 -8.456 1.00 0.00 C ATOM 234 C ALA A 19 -2.823 4.380 -8.227 1.00 0.00 C ATOM 235 O ALA A 19 -2.156 5.384 -8.475 1.00 0.00 O ATOM 236 CB ALA A 19 -3.111 2.133 -9.381 1.00 0.00 C ATOM 0 H ALA A 19 -2.438 1.352 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.272 3.106 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.224 2.637 -10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.639 1.163 -9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.092 1.991 -8.928 1.00 0.00 H new ATOM 242 N GLU A 20 -4.062 4.400 -7.758 1.00 0.00 N ATOM 243 CA GLU A 20 -4.742 5.656 -7.493 1.00 0.00 C ATOM 244 C GLU A 20 -3.843 6.585 -6.675 1.00 0.00 C ATOM 245 O GLU A 20 -3.763 7.781 -6.953 1.00 0.00 O ATOM 246 CB GLU A 20 -6.076 5.418 -6.782 1.00 0.00 C ATOM 247 CG GLU A 20 -7.036 6.587 -7.013 1.00 0.00 C ATOM 248 CD GLU A 20 -7.890 6.849 -5.771 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.331 6.718 -4.661 1.00 0.00 O ATOM 250 OE2 GLU A 20 -9.082 7.174 -5.960 1.00 0.00 O ATOM 0 H GLU A 20 -4.613 3.566 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.957 6.138 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.527 4.495 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.905 5.289 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.469 7.483 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.682 6.369 -7.864 1.00 0.00 H new ATOM 257 N ILE A 21 -3.188 6.000 -5.683 1.00 0.00 N ATOM 258 CA ILE A 21 -2.298 6.760 -4.823 1.00 0.00 C ATOM 259 C ILE A 21 -1.165 7.351 -5.664 1.00 0.00 C ATOM 260 O ILE A 21 -1.080 8.567 -5.832 1.00 0.00 O ATOM 261 CB ILE A 21 -1.812 5.896 -3.657 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.981 5.461 -2.772 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.724 6.616 -2.857 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.517 4.484 -1.690 1.00 0.00 C ATOM 0 H ILE A 21 -3.256 5.008 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.829 7.597 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.364 4.990 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.434 6.336 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.750 4.992 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.396 5.980 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.123 6.833 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.123 7.549 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.368 4.191 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.086 3.599 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.765 4.965 -1.064 1.00 0.00 H new ATOM 276 N THR A 22 -0.322 6.464 -6.171 1.00 0.00 N ATOM 277 CA THR A 22 0.802 6.882 -6.991 1.00 0.00 C ATOM 278 C THR A 22 0.393 8.037 -7.907 1.00 0.00 C ATOM 279 O THR A 22 1.130 9.012 -8.050 1.00 0.00 O ATOM 280 CB THR A 22 1.316 5.657 -7.750 1.00 0.00 C ATOM 281 OG1 THR A 22 2.733 5.816 -7.746 1.00 0.00 O ATOM 282 CG2 THR A 22 0.942 5.688 -9.233 1.00 0.00 C ATOM 0 H THR A 22 -0.395 5.456 -6.030 1.00 0.00 H new ATOM 0 HA THR A 22 1.617 7.267 -6.378 1.00 0.00 H new ATOM 0 HB THR A 22 0.915 4.752 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.148 5.063 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.331 4.796 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.143 5.714 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.371 6.575 -9.698 1.00 0.00 H new ATOM 290 N SER A 23 -0.780 7.890 -8.504 1.00 0.00 N ATOM 291 CA SER A 23 -1.296 8.909 -9.402 1.00 0.00 C ATOM 292 C SER A 23 -1.449 10.236 -8.656 1.00 0.00 C ATOM 293 O SER A 23 -0.867 11.245 -9.052 1.00 0.00 O ATOM 294 CB SER A 23 -2.636 8.483 -10.006 1.00 0.00 C ATOM 295 OG SER A 23 -2.567 7.189 -10.598 1.00 0.00 O ATOM 0 H SER A 23 -1.388 7.080 -8.384 1.00 0.00 H new ATOM 0 HA SER A 23 -0.584 9.038 -10.217 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.401 8.486 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.942 9.210 -10.758 1.00 0.00 H new ATOM 0 HG SER A 23 -2.502 6.510 -9.894 1.00 0.00 H new ATOM 301 N LYS A 24 -2.234 10.192 -7.590 1.00 0.00 N ATOM 302 CA LYS A 24 -2.470 11.378 -6.785 1.00 0.00 C ATOM 303 C LYS A 24 -1.127 11.979 -6.363 1.00 0.00 C ATOM 304 O LYS A 24 -0.962 13.198 -6.358 1.00 0.00 O ATOM 305 CB LYS A 24 -3.394 11.054 -5.610 1.00 0.00 C ATOM 306 CG LYS A 24 -4.810 10.740 -6.097 1.00 0.00 C ATOM 307 CD LYS A 24 -5.610 10.004 -5.020 1.00 0.00 C ATOM 308 CE LYS A 24 -7.114 10.173 -5.242 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.766 10.677 -4.012 1.00 0.00 N ATOM 0 H LYS A 24 -2.715 9.353 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.990 12.137 -7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.999 10.203 -5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.421 11.898 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.320 11.665 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.761 10.130 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.354 8.945 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.339 10.386 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.291 10.866 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.555 9.218 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.768 10.397 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.293 10.274 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.696 11.714 -3.982 1.00 0.00 H new ATOM 323 N ILE A 25 -0.202 11.095 -6.020 1.00 0.00 N ATOM 324 CA ILE A 25 1.121 11.522 -5.598 1.00 0.00 C ATOM 325 C ILE A 25 1.785 12.308 -6.731 1.00 0.00 C ATOM 326 O ILE A 25 2.547 13.240 -6.481 1.00 0.00 O ATOM 327 CB ILE A 25 1.943 10.325 -5.117 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.427 9.810 -3.772 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.433 10.668 -5.065 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.157 8.532 -3.356 1.00 0.00 C ATOM 0 H ILE A 25 -0.343 10.085 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 25 1.049 12.194 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 25 1.823 9.517 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.564 10.576 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.357 9.616 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.994 9.800 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.776 10.950 -6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.591 11.499 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.770 8.188 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.998 7.760 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.224 8.736 -3.265 1.00 0.00 H new ATOM 342 N ALA A 26 1.470 11.902 -7.952 1.00 0.00 N ATOM 343 CA ALA A 26 2.025 12.557 -9.125 1.00 0.00 C ATOM 344 C ALA A 26 1.221 13.823 -9.426 1.00 0.00 C ATOM 345 O ALA A 26 1.648 14.659 -10.221 1.00 0.00 O ATOM 346 CB ALA A 26 2.033 11.578 -10.300 1.00 0.00 C ATOM 0 H ALA A 26 0.838 11.128 -8.155 1.00 0.00 H new ATOM 0 HA ALA A 26 3.057 12.858 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.449 12.069 -11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.642 10.710 -10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.013 11.256 -10.512 1.00 0.00 H new ATOM 352 N ARG A 27 0.072 13.925 -8.775 1.00 0.00 N ATOM 353 CA ARG A 27 -0.796 15.075 -8.963 1.00 0.00 C ATOM 354 C ARG A 27 -0.593 16.084 -7.830 1.00 0.00 C ATOM 355 O ARG A 27 -0.925 17.259 -7.974 1.00 0.00 O ATOM 356 CB ARG A 27 -2.266 14.655 -9.006 1.00 0.00 C ATOM 357 CG ARG A 27 -2.803 14.682 -10.438 1.00 0.00 C ATOM 358 CD ARG A 27 -4.254 15.165 -10.471 1.00 0.00 C ATOM 359 NE ARG A 27 -5.049 14.317 -11.387 1.00 0.00 N ATOM 360 CZ ARG A 27 -6.386 14.350 -11.472 1.00 0.00 C ATOM 361 NH1 ARG A 27 -7.086 15.189 -10.696 1.00 0.00 N ATOM 362 NH2 ARG A 27 -7.023 13.545 -12.332 1.00 0.00 N ATOM 0 H ARG A 27 -0.278 13.230 -8.116 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.534 15.536 -9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.373 13.652 -8.593 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.857 15.323 -8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.184 15.338 -11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.738 13.685 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.680 15.131 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.293 16.204 -10.798 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.548 13.666 -11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.601 15.802 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.104 15.214 -10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.491 12.906 -12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.041 13.571 -12.396 1.00 0.00 H new ATOM 376 N VAL A 28 -0.050 15.587 -6.729 1.00 0.00 N ATOM 377 CA VAL A 28 0.201 16.430 -5.572 1.00 0.00 C ATOM 378 C VAL A 28 0.992 17.664 -6.008 1.00 0.00 C ATOM 379 O VAL A 28 0.603 18.793 -5.711 1.00 0.00 O ATOM 380 CB VAL A 28 0.906 15.623 -4.479 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.055 16.423 -3.862 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.086 15.171 -3.406 1.00 0.00 C ATOM 0 H VAL A 28 0.223 14.611 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.738 16.780 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 28 1.329 14.731 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.539 15.827 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.781 16.672 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.664 17.340 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.440 14.600 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.552 16.045 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.854 14.546 -3.861 1.00 0.00 H new ATOM 392 N PRO A 29 2.118 17.402 -6.724 1.00 0.00 N ATOM 393 CA PRO A 29 2.968 18.478 -7.204 1.00 0.00 C ATOM 394 C PRO A 29 2.331 19.188 -8.400 1.00 0.00 C ATOM 395 O PRO A 29 2.916 20.113 -8.962 1.00 0.00 O ATOM 396 CB PRO A 29 4.292 17.813 -7.544 1.00 0.00 C ATOM 397 CG PRO A 29 3.989 16.330 -7.684 1.00 0.00 C ATOM 398 CD PRO A 29 2.610 16.078 -7.095 1.00 0.00 C ATOM 0 HA PRO A 29 3.111 19.263 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.706 18.216 -8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.030 17.989 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.017 16.032 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.741 15.736 -7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.951 15.599 -7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.664 15.418 -6.229 1.00 0.00 H new ATOM 406 N ARG A 30 1.139 18.729 -8.754 1.00 0.00 N ATOM 407 CA ARG A 30 0.416 19.308 -9.874 1.00 0.00 C ATOM 408 C ARG A 30 -0.963 19.792 -9.421 1.00 0.00 C ATOM 409 O ARG A 30 -1.794 20.169 -10.246 1.00 0.00 O ATOM 410 CB ARG A 30 0.247 18.292 -11.005 1.00 0.00 C ATOM 411 CG ARG A 30 1.589 17.983 -11.670 1.00 0.00 C ATOM 412 CD ARG A 30 1.419 16.973 -12.807 1.00 0.00 C ATOM 413 NE ARG A 30 2.738 16.435 -13.208 1.00 0.00 N ATOM 414 CZ ARG A 30 2.942 15.682 -14.297 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.915 15.373 -15.101 1.00 0.00 N ATOM 416 NH2 ARG A 30 4.173 15.237 -14.583 1.00 0.00 N ATOM 0 H ARG A 30 0.656 17.963 -8.285 1.00 0.00 H new ATOM 0 HA ARG A 30 0.998 20.152 -10.244 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.188 17.373 -10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.450 18.682 -11.747 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.027 18.903 -12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.284 17.588 -10.929 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.767 16.160 -12.488 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.937 17.451 -13.660 1.00 0.00 H new ATOM 0 HE ARG A 30 3.542 16.651 -12.618 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.978 15.711 -14.884 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.071 14.800 -15.930 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.955 15.472 -13.971 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.328 14.664 -15.412 1.00 0.00 H new ATOM 430 N LEU A 31 -1.164 19.766 -8.112 1.00 0.00 N ATOM 431 CA LEU A 31 -2.428 20.198 -7.540 1.00 0.00 C ATOM 432 C LEU A 31 -2.228 21.533 -6.821 1.00 0.00 C ATOM 433 O LEU A 31 -1.104 21.894 -6.475 1.00 0.00 O ATOM 434 CB LEU A 31 -3.014 19.101 -6.649 1.00 0.00 C ATOM 435 CG LEU A 31 -3.730 17.959 -7.373 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.973 16.779 -6.431 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.025 18.449 -8.024 1.00 0.00 C ATOM 0 H LEU A 31 -0.473 19.452 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.164 20.367 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.207 18.676 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.717 19.561 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.082 17.603 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.483 15.981 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.018 16.410 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.591 17.103 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.514 17.618 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.689 18.848 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.795 19.231 -8.747 1.00 0.00 H new ATOM 449 N PRO A 32 -3.365 22.249 -6.611 1.00 0.00 N ATOM 450 CA PRO A 32 -3.325 23.537 -5.939 1.00 0.00 C ATOM 451 C PRO A 32 -3.116 23.364 -4.434 1.00 0.00 C ATOM 452 O PRO A 32 -3.211 22.253 -3.914 1.00 0.00 O ATOM 453 CB PRO A 32 -4.649 24.201 -6.282 1.00 0.00 C ATOM 454 CG PRO A 32 -5.569 23.082 -6.744 1.00 0.00 C ATOM 455 CD PRO A 32 -4.713 21.854 -7.007 1.00 0.00 C ATOM 0 HA PRO A 32 -2.488 24.155 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.064 24.715 -5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.520 24.949 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.321 22.868 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.103 23.376 -7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.061 20.998 -6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.748 21.565 -8.057 1.00 0.00 H new ATOM 463 N PRO A 33 -2.827 24.508 -3.758 1.00 0.00 N ATOM 464 CA PRO A 33 -2.603 24.494 -2.322 1.00 0.00 C ATOM 465 C PRO A 33 -3.923 24.338 -1.564 1.00 0.00 C ATOM 466 O PRO A 33 -3.937 24.318 -0.334 1.00 0.00 O ATOM 467 CB PRO A 33 -1.896 25.805 -2.021 1.00 0.00 C ATOM 468 CG PRO A 33 -2.164 26.707 -3.215 1.00 0.00 C ATOM 469 CD PRO A 33 -2.706 25.841 -4.341 1.00 0.00 C ATOM 0 HA PRO A 33 -1.997 23.648 -1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.275 26.251 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.826 25.649 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.881 27.485 -2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.248 27.210 -3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.670 26.208 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.033 25.839 -5.198 1.00 0.00 H new ATOM 477 N ASP A 34 -4.999 24.232 -2.328 1.00 0.00 N ATOM 478 CA ASP A 34 -6.320 24.079 -1.744 1.00 0.00 C ATOM 479 C ASP A 34 -6.724 22.604 -1.785 1.00 0.00 C ATOM 480 O ASP A 34 -7.384 22.111 -0.872 1.00 0.00 O ATOM 481 CB ASP A 34 -7.365 24.877 -2.526 1.00 0.00 C ATOM 482 CG ASP A 34 -7.996 26.042 -1.760 1.00 0.00 C ATOM 483 OD1 ASP A 34 -7.643 26.196 -0.571 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.817 26.751 -2.381 1.00 0.00 O ATOM 0 H ASP A 34 -4.983 24.249 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.279 24.447 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.900 25.267 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.157 24.198 -2.842 1.00 0.00 H new ATOM 489 N GLU A 35 -6.311 21.940 -2.855 1.00 0.00 N ATOM 490 CA GLU A 35 -6.621 20.531 -3.028 1.00 0.00 C ATOM 491 C GLU A 35 -5.424 19.670 -2.621 1.00 0.00 C ATOM 492 O GLU A 35 -5.590 18.517 -2.228 1.00 0.00 O ATOM 493 CB GLU A 35 -7.044 20.236 -4.469 1.00 0.00 C ATOM 494 CG GLU A 35 -8.566 20.288 -4.615 1.00 0.00 C ATOM 495 CD GLU A 35 -9.197 18.936 -4.276 1.00 0.00 C ATOM 496 OE1 GLU A 35 -8.913 17.974 -5.022 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.948 18.894 -3.277 1.00 0.00 O ATOM 0 H GLU A 35 -5.764 22.352 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.460 20.281 -2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.586 20.961 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.680 19.252 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.972 21.057 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.827 20.570 -5.635 1.00 0.00 H new ATOM 504 N LYS A 36 -4.244 20.264 -2.729 1.00 0.00 N ATOM 505 CA LYS A 36 -3.020 19.566 -2.377 1.00 0.00 C ATOM 506 C LYS A 36 -3.055 19.201 -0.891 1.00 0.00 C ATOM 507 O LYS A 36 -2.951 18.029 -0.534 1.00 0.00 O ATOM 508 CB LYS A 36 -1.797 20.393 -2.778 1.00 0.00 C ATOM 509 CG LYS A 36 -0.502 19.700 -2.351 1.00 0.00 C ATOM 510 CD LYS A 36 0.722 20.439 -2.897 1.00 0.00 C ATOM 511 CE LYS A 36 2.017 19.831 -2.354 1.00 0.00 C ATOM 512 NZ LYS A 36 3.061 19.816 -3.402 1.00 0.00 N ATOM 0 H LYS A 36 -4.110 21.221 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.941 18.632 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.794 20.544 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.854 21.380 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.450 19.657 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.500 18.671 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.723 20.393 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.668 21.492 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.364 20.406 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.830 18.816 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.993 19.968 -2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.052 18.896 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.873 20.573 -4.090 1.00 0.00 H new ATOM 526 N LYS A 37 -3.202 20.227 -0.066 1.00 0.00 N ATOM 527 CA LYS A 37 -3.253 20.030 1.372 1.00 0.00 C ATOM 528 C LYS A 37 -4.065 18.770 1.682 1.00 0.00 C ATOM 529 O LYS A 37 -3.566 17.848 2.325 1.00 0.00 O ATOM 530 CB LYS A 37 -3.779 21.287 2.068 1.00 0.00 C ATOM 531 CG LYS A 37 -2.747 21.841 3.052 1.00 0.00 C ATOM 532 CD LYS A 37 -2.053 23.079 2.480 1.00 0.00 C ATOM 533 CE LYS A 37 -0.574 22.801 2.207 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.304 22.820 0.752 1.00 0.00 N ATOM 0 H LYS A 37 -3.287 21.198 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.251 19.870 1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.020 22.045 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.703 21.054 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.236 22.096 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.005 21.075 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.546 23.383 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.148 23.909 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.041 23.549 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.297 21.832 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.704 22.630 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.877 22.090 0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.549 23.754 0.366 1.00 0.00 H new ATOM 548 N GLN A 38 -5.302 18.772 1.209 1.00 0.00 N ATOM 549 CA GLN A 38 -6.188 17.641 1.427 1.00 0.00 C ATOM 550 C GLN A 38 -5.606 16.380 0.786 1.00 0.00 C ATOM 551 O GLN A 38 -5.587 15.317 1.405 1.00 0.00 O ATOM 552 CB GLN A 38 -7.591 17.932 0.890 1.00 0.00 C ATOM 553 CG GLN A 38 -8.163 19.207 1.513 1.00 0.00 C ATOM 554 CD GLN A 38 -8.570 18.971 2.969 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.271 18.029 3.299 1.00 0.00 O ATOM 556 NE2 GLN A 38 -8.093 19.877 3.817 1.00 0.00 N ATOM 0 H GLN A 38 -5.712 19.539 0.676 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.274 17.473 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.555 18.037 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.249 17.090 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.422 20.004 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.028 19.540 0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.511 20.641 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.309 19.808 4.812 1.00 0.00 H new ATOM 565 N MET A 39 -5.146 16.539 -0.446 1.00 0.00 N ATOM 566 CA MET A 39 -4.565 15.426 -1.178 1.00 0.00 C ATOM 567 C MET A 39 -3.402 14.806 -0.400 1.00 0.00 C ATOM 568 O MET A 39 -3.317 13.586 -0.272 1.00 0.00 O ATOM 569 CB MET A 39 -4.066 15.915 -2.539 1.00 0.00 C ATOM 570 CG MET A 39 -3.580 14.745 -3.397 1.00 0.00 C ATOM 571 SD MET A 39 -4.886 13.543 -3.588 1.00 0.00 S ATOM 572 CE MET A 39 -5.579 14.083 -5.141 1.00 0.00 C ATOM 0 H MET A 39 -5.164 17.422 -0.956 1.00 0.00 H new ATOM 0 HA MET A 39 -5.333 14.665 -1.315 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.868 16.442 -3.057 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.255 16.629 -2.398 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.263 15.108 -4.375 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.711 14.279 -2.932 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.467 13.493 -5.368 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.851 15.136 -5.071 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.843 13.950 -5.934 1.00 0.00 H new ATOM 582 N VAL A 40 -2.535 15.675 0.098 1.00 0.00 N ATOM 583 CA VAL A 40 -1.381 15.228 0.860 1.00 0.00 C ATOM 584 C VAL A 40 -1.857 14.510 2.124 1.00 0.00 C ATOM 585 O VAL A 40 -1.075 13.831 2.788 1.00 0.00 O ATOM 586 CB VAL A 40 -0.459 16.413 1.156 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.618 16.028 2.172 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.168 16.955 -0.130 1.00 0.00 C ATOM 0 H VAL A 40 -2.608 16.686 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.795 14.514 0.282 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.064 17.207 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.260 16.887 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.145 15.712 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.218 15.209 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.818 17.796 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.752 16.169 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.619 17.286 -0.807 1.00 0.00 H new ATOM 598 N ALA A 41 -3.137 14.684 2.419 1.00 0.00 N ATOM 599 CA ALA A 41 -3.726 14.061 3.592 1.00 0.00 C ATOM 600 C ALA A 41 -4.524 12.828 3.163 1.00 0.00 C ATOM 601 O ALA A 41 -4.557 11.827 3.876 1.00 0.00 O ATOM 602 CB ALA A 41 -4.588 15.084 4.335 1.00 0.00 C ATOM 0 H ALA A 41 -3.783 15.248 1.866 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.949 13.728 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.030 14.617 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.968 15.926 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.380 15.439 3.676 1.00 0.00 H new ATOM 608 N ASN A 42 -5.147 12.942 1.999 1.00 0.00 N ATOM 609 CA ASN A 42 -5.943 11.849 1.466 1.00 0.00 C ATOM 610 C ASN A 42 -5.033 10.652 1.185 1.00 0.00 C ATOM 611 O ASN A 42 -5.409 9.509 1.440 1.00 0.00 O ATOM 612 CB ASN A 42 -6.618 12.249 0.153 1.00 0.00 C ATOM 613 CG ASN A 42 -7.598 11.169 -0.310 1.00 0.00 C ATOM 614 OD1 ASN A 42 -7.322 10.386 -1.205 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.755 11.171 0.346 1.00 0.00 N ATOM 0 H ASN A 42 -5.117 13.774 1.410 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.707 11.597 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.147 13.193 0.285 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.861 12.412 -0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.476 10.489 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.921 11.854 1.085 1.00 0.00 H new ATOM 622 N VAL A 43 -3.853 10.955 0.663 1.00 0.00 N ATOM 623 CA VAL A 43 -2.887 9.918 0.344 1.00 0.00 C ATOM 624 C VAL A 43 -2.409 9.257 1.638 1.00 0.00 C ATOM 625 O VAL A 43 -2.174 8.050 1.672 1.00 0.00 O ATOM 626 CB VAL A 43 -1.743 10.506 -0.485 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.517 9.590 -0.454 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.190 10.777 -1.922 1.00 0.00 C ATOM 0 H VAL A 43 -3.544 11.904 0.453 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.348 9.142 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.460 11.459 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.282 10.031 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.178 9.471 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.781 8.615 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.358 11.194 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.513 9.844 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.018 11.486 -1.918 1.00 0.00 H new ATOM 638 N GLU A 44 -2.281 10.076 2.671 1.00 0.00 N ATOM 639 CA GLU A 44 -1.836 9.585 3.965 1.00 0.00 C ATOM 640 C GLU A 44 -2.722 8.427 4.427 1.00 0.00 C ATOM 641 O GLU A 44 -2.230 7.451 4.991 1.00 0.00 O ATOM 642 CB GLU A 44 -1.819 10.710 5.001 1.00 0.00 C ATOM 643 CG GLU A 44 -0.583 11.596 4.829 1.00 0.00 C ATOM 644 CD GLU A 44 0.177 11.740 6.149 1.00 0.00 C ATOM 645 OE1 GLU A 44 -0.246 12.595 6.957 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.164 10.993 6.320 1.00 0.00 O ATOM 0 H GLU A 44 -2.477 11.076 2.639 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.816 9.216 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.721 11.314 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.829 10.285 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.074 11.167 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.884 12.580 4.469 1.00 0.00 H new ATOM 653 N LYS A 45 -4.014 8.574 4.170 1.00 0.00 N ATOM 654 CA LYS A 45 -4.973 7.552 4.553 1.00 0.00 C ATOM 655 C LYS A 45 -4.845 6.357 3.606 1.00 0.00 C ATOM 656 O LYS A 45 -4.630 5.230 4.048 1.00 0.00 O ATOM 657 CB LYS A 45 -6.385 8.139 4.614 1.00 0.00 C ATOM 658 CG LYS A 45 -7.060 7.805 5.947 1.00 0.00 C ATOM 659 CD LYS A 45 -6.369 8.527 7.106 1.00 0.00 C ATOM 660 CE LYS A 45 -7.082 9.840 7.437 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.206 10.714 8.249 1.00 0.00 N ATOM 0 H LYS A 45 -4.418 9.385 3.702 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.760 7.187 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.339 9.221 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.982 7.746 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.111 8.093 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.030 6.728 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.358 7.883 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.330 8.729 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.362 10.351 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.004 9.633 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.705 11.601 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.959 10.230 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.338 10.926 7.717 1.00 0.00 H new ATOM 675 N GLN A 46 -4.981 6.645 2.320 1.00 0.00 N ATOM 676 CA GLN A 46 -4.883 5.608 1.306 1.00 0.00 C ATOM 677 C GLN A 46 -3.560 4.853 1.446 1.00 0.00 C ATOM 678 O GLN A 46 -3.462 3.689 1.061 1.00 0.00 O ATOM 679 CB GLN A 46 -5.033 6.198 -0.098 1.00 0.00 C ATOM 680 CG GLN A 46 -6.507 6.308 -0.492 1.00 0.00 C ATOM 681 CD GLN A 46 -7.361 6.754 0.697 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.407 7.918 1.059 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.032 5.766 1.281 1.00 0.00 N ATOM 0 H GLN A 46 -5.158 7.581 1.957 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.699 4.901 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.569 7.184 -0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.506 5.571 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.616 7.020 -1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.862 5.345 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.948 4.813 0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.631 5.961 2.083 1.00 0.00 H new ATOM 692 N LEU A 47 -2.575 5.547 1.997 1.00 0.00 N ATOM 693 CA LEU A 47 -1.261 4.957 2.192 1.00 0.00 C ATOM 694 C LEU A 47 -1.324 3.954 3.345 1.00 0.00 C ATOM 695 O LEU A 47 -1.058 2.768 3.157 1.00 0.00 O ATOM 696 CB LEU A 47 -0.206 6.048 2.382 1.00 0.00 C ATOM 697 CG LEU A 47 0.334 6.690 1.103 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.329 7.805 1.427 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.937 5.635 0.172 1.00 0.00 C ATOM 0 H LEU A 47 -2.660 6.513 2.315 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.956 4.404 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.632 6.833 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.633 5.622 2.933 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.500 7.148 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.698 8.244 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.834 8.573 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.166 7.393 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.313 6.118 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.756 5.127 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.171 4.908 -0.099 1.00 0.00 H new ATOM 711 N GLU A 48 -1.678 4.467 4.515 1.00 0.00 N ATOM 712 CA GLU A 48 -1.779 3.631 5.699 1.00 0.00 C ATOM 713 C GLU A 48 -2.763 2.484 5.457 1.00 0.00 C ATOM 714 O GLU A 48 -2.646 1.422 6.066 1.00 0.00 O ATOM 715 CB GLU A 48 -2.190 4.457 6.920 1.00 0.00 C ATOM 716 CG GLU A 48 -3.687 4.770 6.892 1.00 0.00 C ATOM 717 CD GLU A 48 -4.152 5.343 8.232 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.339 6.057 8.857 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.311 5.054 8.601 1.00 0.00 O ATOM 0 H GLU A 48 -1.898 5.451 4.668 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.797 3.204 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.946 3.911 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.621 5.386 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.898 5.483 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.248 3.863 6.666 1.00 0.00 H new ATOM 726 N GLU A 49 -3.710 2.738 4.566 1.00 0.00 N ATOM 727 CA GLU A 49 -4.713 1.740 4.236 1.00 0.00 C ATOM 728 C GLU A 49 -4.082 0.594 3.443 1.00 0.00 C ATOM 729 O GLU A 49 -4.476 -0.561 3.593 1.00 0.00 O ATOM 730 CB GLU A 49 -5.876 2.366 3.463 1.00 0.00 C ATOM 731 CG GLU A 49 -6.616 3.393 4.322 1.00 0.00 C ATOM 732 CD GLU A 49 -8.052 2.943 4.599 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.230 2.181 5.574 1.00 0.00 O ATOM 734 OE2 GLU A 49 -8.939 3.372 3.829 1.00 0.00 O ATOM 0 H GLU A 49 -3.804 3.620 4.063 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.113 1.335 5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.500 2.846 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.568 1.586 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.087 3.533 5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.625 4.358 3.815 1.00 0.00 H new ATOM 741 N ALA A 50 -3.111 0.954 2.615 1.00 0.00 N ATOM 742 CA ALA A 50 -2.421 -0.030 1.799 1.00 0.00 C ATOM 743 C ALA A 50 -1.405 -0.781 2.662 1.00 0.00 C ATOM 744 O ALA A 50 -1.107 -1.946 2.403 1.00 0.00 O ATOM 745 CB ALA A 50 -1.768 0.667 0.603 1.00 0.00 C ATOM 0 H ALA A 50 -2.787 1.913 2.492 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.125 -0.764 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.250 -0.071 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.535 1.160 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.053 1.409 0.960 1.00 0.00 H new ATOM 751 N ARG A 51 -0.902 -0.083 3.669 1.00 0.00 N ATOM 752 CA ARG A 51 0.074 -0.669 4.572 1.00 0.00 C ATOM 753 C ARG A 51 -0.500 -1.925 5.232 1.00 0.00 C ATOM 754 O ARG A 51 0.089 -3.001 5.144 1.00 0.00 O ATOM 755 CB ARG A 51 0.487 0.326 5.659 1.00 0.00 C ATOM 756 CG ARG A 51 1.419 1.399 5.093 1.00 0.00 C ATOM 757 CD ARG A 51 2.663 1.561 5.968 1.00 0.00 C ATOM 758 NE ARG A 51 3.722 0.630 5.519 1.00 0.00 N ATOM 759 CZ ARG A 51 4.981 0.647 5.978 1.00 0.00 C ATOM 760 NH1 ARG A 51 5.346 1.546 6.902 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.875 -0.236 5.512 1.00 0.00 N ATOM 0 H ARG A 51 -1.152 0.883 3.880 1.00 0.00 H new ATOM 0 HA ARG A 51 0.953 -0.932 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.400 0.796 6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.986 -0.203 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.716 1.130 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.889 2.349 5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.024 2.588 5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.413 1.365 7.011 1.00 0.00 H new ATOM 0 HE ARG A 51 3.479 -0.068 4.816 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.665 2.218 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.304 1.558 7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.597 -0.920 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.833 -0.224 5.861 1.00 0.00 H new ATOM 775 N GLU A 52 -1.643 -1.746 5.877 1.00 0.00 N ATOM 776 CA GLU A 52 -2.303 -2.851 6.551 1.00 0.00 C ATOM 777 C GLU A 52 -2.615 -3.970 5.556 1.00 0.00 C ATOM 778 O GLU A 52 -2.668 -5.141 5.929 1.00 0.00 O ATOM 779 CB GLU A 52 -3.574 -2.379 7.262 1.00 0.00 C ATOM 780 CG GLU A 52 -4.763 -2.357 6.300 1.00 0.00 C ATOM 781 CD GLU A 52 -5.982 -1.699 6.951 1.00 0.00 C ATOM 782 OE1 GLU A 52 -5.913 -0.472 7.174 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.956 -2.439 7.211 1.00 0.00 O ATOM 0 H GLU A 52 -2.129 -0.852 5.947 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.626 -3.245 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.792 -3.040 8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.416 -1.382 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.493 -1.814 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.012 -3.375 6.000 1.00 0.00 H new ATOM 790 N LEU A 53 -2.814 -3.570 4.308 1.00 0.00 N ATOM 791 CA LEU A 53 -3.119 -4.524 3.256 1.00 0.00 C ATOM 792 C LEU A 53 -1.993 -5.557 3.168 1.00 0.00 C ATOM 793 O LEU A 53 -2.211 -6.741 3.424 1.00 0.00 O ATOM 794 CB LEU A 53 -3.392 -3.799 1.937 1.00 0.00 C ATOM 795 CG LEU A 53 -4.834 -3.849 1.429 1.00 0.00 C ATOM 796 CD1 LEU A 53 -4.994 -3.027 0.149 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.300 -5.295 1.244 1.00 0.00 C ATOM 0 H LEU A 53 -2.770 -2.598 4.002 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.034 -5.068 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.105 -2.754 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.743 -4.224 1.171 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.478 -3.397 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.028 -3.080 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.730 -1.988 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.338 -3.426 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.328 -5.302 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.657 -5.795 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.247 -5.819 2.198 1.00 0.00 H new ATOM 809 N LEU A 54 -0.815 -5.072 2.806 1.00 0.00 N ATOM 810 CA LEU A 54 0.345 -5.938 2.681 1.00 0.00 C ATOM 811 C LEU A 54 0.382 -6.906 3.866 1.00 0.00 C ATOM 812 O LEU A 54 0.745 -8.071 3.709 1.00 0.00 O ATOM 813 CB LEU A 54 1.620 -5.108 2.526 1.00 0.00 C ATOM 814 CG LEU A 54 1.719 -4.263 1.254 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.024 -3.465 1.226 1.00 0.00 C ATOM 816 CD2 LEU A 54 1.551 -5.131 0.005 1.00 0.00 C ATOM 0 H LEU A 54 -0.638 -4.090 2.595 1.00 0.00 H new ATOM 0 HA LEU A 54 0.274 -6.542 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.705 -4.445 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.475 -5.783 2.558 1.00 0.00 H new ATOM 0 HG LEU A 54 0.901 -3.542 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.069 -2.873 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.063 -2.802 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.871 -4.151 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.625 -4.506 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.333 -5.890 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.575 -5.616 0.027 1.00 0.00 H new ATOM 828 N GLU A 55 0.002 -6.389 5.024 1.00 0.00 N ATOM 829 CA GLU A 55 -0.012 -7.193 6.235 1.00 0.00 C ATOM 830 C GLU A 55 -0.821 -8.472 6.012 1.00 0.00 C ATOM 831 O GLU A 55 -0.405 -9.553 6.427 1.00 0.00 O ATOM 832 CB GLU A 55 -0.564 -6.394 7.417 1.00 0.00 C ATOM 833 CG GLU A 55 0.455 -6.326 8.556 1.00 0.00 C ATOM 834 CD GLU A 55 -0.229 -6.499 9.914 1.00 0.00 C ATOM 835 OE1 GLU A 55 -1.026 -7.455 10.031 1.00 0.00 O ATOM 836 OE2 GLU A 55 0.061 -5.671 10.805 1.00 0.00 O ATOM 0 H GLU A 55 -0.299 -5.423 5.150 1.00 0.00 H new ATOM 0 HA GLU A 55 1.014 -7.472 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.819 -5.385 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.484 -6.856 7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.208 -7.103 8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.976 -5.369 8.526 1.00 0.00 H new ATOM 843 N GLN A 56 -1.961 -8.308 5.358 1.00 0.00 N ATOM 844 CA GLN A 56 -2.831 -9.436 5.075 1.00 0.00 C ATOM 845 C GLN A 56 -2.286 -10.245 3.897 1.00 0.00 C ATOM 846 O GLN A 56 -2.066 -11.450 4.015 1.00 0.00 O ATOM 847 CB GLN A 56 -4.263 -8.970 4.804 1.00 0.00 C ATOM 848 CG GLN A 56 -4.951 -8.531 6.098 1.00 0.00 C ATOM 849 CD GLN A 56 -6.030 -9.533 6.513 1.00 0.00 C ATOM 850 OE1 GLN A 56 -7.217 -9.320 6.325 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.554 -10.635 7.086 1.00 0.00 N ATOM 0 H GLN A 56 -2.303 -7.410 5.016 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.854 -10.081 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.252 -8.142 4.095 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.831 -9.778 4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.212 -8.437 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.398 -7.546 5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.549 -10.750 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.194 -11.365 7.398 1.00 0.00 H new ATOM 860 N MET A 57 -2.083 -9.551 2.787 1.00 0.00 N ATOM 861 CA MET A 57 -1.567 -10.190 1.588 1.00 0.00 C ATOM 862 C MET A 57 -0.328 -11.029 1.904 1.00 0.00 C ATOM 863 O MET A 57 -0.120 -12.084 1.307 1.00 0.00 O ATOM 864 CB MET A 57 -1.209 -9.121 0.553 1.00 0.00 C ATOM 865 CG MET A 57 -2.470 -8.519 -0.072 1.00 0.00 C ATOM 866 SD MET A 57 -2.845 -6.953 0.698 1.00 0.00 S ATOM 867 CE MET A 57 -1.737 -5.888 -0.211 1.00 0.00 C ATOM 0 H MET A 57 -2.267 -8.552 2.692 1.00 0.00 H new ATOM 0 HA MET A 57 -2.338 -10.850 1.190 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.622 -8.334 1.026 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.586 -9.559 -0.227 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.325 -8.381 -1.143 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.309 -9.204 0.050 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.445 -5.046 0.417 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.849 -6.450 -0.501 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.240 -5.517 -1.104 1.00 0.00 H new ATOM 877 N ASP A 58 0.463 -10.530 2.842 1.00 0.00 N ATOM 878 CA ASP A 58 1.676 -11.221 3.245 1.00 0.00 C ATOM 879 C ASP A 58 1.322 -12.322 4.246 1.00 0.00 C ATOM 880 O ASP A 58 1.929 -13.392 4.238 1.00 0.00 O ATOM 881 CB ASP A 58 2.656 -10.262 3.924 1.00 0.00 C ATOM 882 CG ASP A 58 4.128 -10.672 3.836 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.406 -11.854 4.132 1.00 0.00 O ATOM 884 OD2 ASP A 58 4.941 -9.795 3.474 1.00 0.00 O ATOM 0 H ASP A 58 0.287 -9.655 3.335 1.00 0.00 H new ATOM 0 HA ASP A 58 2.140 -11.638 2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.542 -9.274 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.382 -10.170 4.975 1.00 0.00 H new ATOM 889 N LEU A 59 0.341 -12.023 5.085 1.00 0.00 N ATOM 890 CA LEU A 59 -0.101 -12.974 6.090 1.00 0.00 C ATOM 891 C LEU A 59 -0.942 -14.063 5.420 1.00 0.00 C ATOM 892 O LEU A 59 -1.390 -15.000 6.079 1.00 0.00 O ATOM 893 CB LEU A 59 -0.824 -12.253 7.229 1.00 0.00 C ATOM 894 CG LEU A 59 0.070 -11.648 8.314 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.550 -10.372 8.886 1.00 0.00 C ATOM 896 CD2 LEU A 59 0.380 -12.675 9.405 1.00 0.00 C ATOM 0 H LEU A 59 -0.160 -11.135 5.089 1.00 0.00 H new ATOM 0 HA LEU A 59 0.755 -13.468 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.431 -11.456 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.509 -12.957 7.701 1.00 0.00 H new ATOM 0 HG LEU A 59 1.019 -11.368 7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.105 -9.962 9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.676 -9.640 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.521 -10.604 9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.017 -12.219 10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.550 -13.009 9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.894 -13.529 8.965 1.00 0.00 H new ATOM 908 N GLU A 60 -1.131 -13.904 4.118 1.00 0.00 N ATOM 909 CA GLU A 60 -1.910 -14.862 3.352 1.00 0.00 C ATOM 910 C GLU A 60 -1.004 -15.635 2.391 1.00 0.00 C ATOM 911 O GLU A 60 -0.943 -16.862 2.443 1.00 0.00 O ATOM 912 CB GLU A 60 -3.044 -14.166 2.597 1.00 0.00 C ATOM 913 CG GLU A 60 -4.088 -13.608 3.566 1.00 0.00 C ATOM 914 CD GLU A 60 -5.381 -14.424 3.509 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.298 -15.640 3.788 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.423 -13.814 3.187 1.00 0.00 O ATOM 0 H GLU A 60 -0.758 -13.126 3.574 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.361 -15.572 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.638 -13.357 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.517 -14.871 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.691 -13.620 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.299 -12.568 3.319 1.00 0.00 H new ATOM 923 N VAL A 61 -0.323 -14.885 1.538 1.00 0.00 N ATOM 924 CA VAL A 61 0.577 -15.485 0.567 1.00 0.00 C ATOM 925 C VAL A 61 1.486 -16.492 1.275 1.00 0.00 C ATOM 926 O VAL A 61 1.973 -17.436 0.655 1.00 0.00 O ATOM 927 CB VAL A 61 1.354 -14.393 -0.171 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.778 -14.853 -0.489 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.620 -13.961 -1.442 1.00 0.00 C ATOM 0 H VAL A 61 -0.376 -13.867 1.499 1.00 0.00 H new ATOM 0 HA VAL A 61 0.014 -16.032 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 61 1.421 -13.527 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.308 -14.058 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.300 -15.087 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.741 -15.742 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.194 -13.184 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.507 -14.818 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.364 -13.573 -1.180 1.00 0.00 H new ATOM 939 N ARG A 62 1.687 -16.256 2.563 1.00 0.00 N ATOM 940 CA ARG A 62 2.528 -17.130 3.361 1.00 0.00 C ATOM 941 C ARG A 62 1.902 -18.522 3.463 1.00 0.00 C ATOM 942 O ARG A 62 2.580 -19.529 3.264 1.00 0.00 O ATOM 943 CB ARG A 62 2.731 -16.566 4.769 1.00 0.00 C ATOM 944 CG ARG A 62 4.211 -16.286 5.039 1.00 0.00 C ATOM 945 CD ARG A 62 4.378 -15.163 6.064 1.00 0.00 C ATOM 946 NE ARG A 62 5.486 -15.484 6.991 1.00 0.00 N ATOM 947 CZ ARG A 62 5.996 -14.621 7.881 1.00 0.00 C ATOM 948 NH1 ARG A 62 5.501 -13.379 7.969 1.00 0.00 N ATOM 949 NH2 ARG A 62 7.001 -15.000 8.682 1.00 0.00 N ATOM 0 H ARG A 62 1.281 -15.472 3.073 1.00 0.00 H new ATOM 0 HA ARG A 62 3.497 -17.199 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.157 -15.647 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.350 -17.273 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.695 -17.192 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.708 -16.011 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.581 -14.221 5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.452 -15.029 6.623 1.00 0.00 H new ATOM 0 HE ARG A 62 5.887 -16.421 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.736 -13.090 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.889 -12.722 8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.378 -15.945 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.389 -14.343 9.359 1.00 0.00 H new ATOM 963 N GLU A 63 0.613 -18.535 3.773 1.00 0.00 N ATOM 964 CA GLU A 63 -0.112 -19.787 3.904 1.00 0.00 C ATOM 965 C GLU A 63 -0.352 -20.408 2.526 1.00 0.00 C ATOM 966 O GLU A 63 -0.658 -21.595 2.422 1.00 0.00 O ATOM 967 CB GLU A 63 -1.433 -19.580 4.649 1.00 0.00 C ATOM 968 CG GLU A 63 -2.483 -18.944 3.736 1.00 0.00 C ATOM 969 CD GLU A 63 -3.694 -19.865 3.569 1.00 0.00 C ATOM 970 OE1 GLU A 63 -4.110 -20.447 4.594 1.00 0.00 O ATOM 971 OE2 GLU A 63 -4.177 -19.965 2.421 1.00 0.00 O ATOM 0 H GLU A 63 0.053 -17.698 3.937 1.00 0.00 H new ATOM 0 HA GLU A 63 0.495 -20.476 4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.800 -20.537 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.268 -18.944 5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.803 -17.989 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.043 -18.735 2.761 1.00 0.00 H new ATOM 978 N ILE A 64 -0.202 -19.579 1.504 1.00 0.00 N ATOM 979 CA ILE A 64 -0.398 -20.032 0.138 1.00 0.00 C ATOM 980 C ILE A 64 0.709 -21.022 -0.230 1.00 0.00 C ATOM 981 O ILE A 64 1.858 -20.852 0.173 1.00 0.00 O ATOM 982 CB ILE A 64 -0.496 -18.838 -0.814 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.718 -17.976 -0.489 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.491 -19.298 -2.273 1.00 0.00 C ATOM 985 CD1 ILE A 64 -2.104 -17.099 -1.682 1.00 0.00 C ATOM 0 H ILE A 64 0.053 -18.596 1.595 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.345 -20.563 0.045 1.00 0.00 H new ATOM 0 HB ILE A 64 0.386 -18.214 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.557 -18.616 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.504 -17.347 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.562 -18.430 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.434 -19.836 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.342 -19.956 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.975 -16.497 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.271 -16.443 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.341 -17.732 -2.537 1.00 0.00 H new ATOM 997 N PRO A 65 0.312 -22.063 -1.011 1.00 0.00 N ATOM 998 CA PRO A 65 1.258 -23.081 -1.438 1.00 0.00 C ATOM 999 C PRO A 65 2.170 -22.551 -2.546 1.00 0.00 C ATOM 1000 O PRO A 65 1.887 -21.516 -3.147 1.00 0.00 O ATOM 1001 CB PRO A 65 0.399 -24.252 -1.885 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.989 -23.682 -2.131 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.041 -22.297 -1.507 1.00 0.00 C ATOM 0 HA PRO A 65 1.939 -23.384 -0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.800 -24.707 -2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.372 -25.030 -1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.195 -23.627 -3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.750 -24.327 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.330 -21.543 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.772 -22.254 -0.699 1.00 0.00 H new ATOM 1011 N PRO A 66 3.276 -23.305 -2.789 1.00 0.00 N ATOM 1012 CA PRO A 66 4.232 -22.923 -3.814 1.00 0.00 C ATOM 1013 C PRO A 66 3.683 -23.215 -5.212 1.00 0.00 C ATOM 1014 O PRO A 66 4.359 -22.975 -6.211 1.00 0.00 O ATOM 1015 CB PRO A 66 5.490 -23.713 -3.493 1.00 0.00 C ATOM 1016 CG PRO A 66 5.048 -24.851 -2.587 1.00 0.00 C ATOM 1017 CD PRO A 66 3.643 -24.537 -2.097 1.00 0.00 C ATOM 0 HA PRO A 66 4.440 -21.853 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.954 -24.095 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.230 -23.084 -2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.061 -25.797 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.732 -24.956 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.951 -25.345 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.621 -24.405 -1.015 1.00 0.00 H new ATOM 1025 N GLN A 67 2.462 -23.728 -5.238 1.00 0.00 N ATOM 1026 CA GLN A 67 1.814 -24.055 -6.497 1.00 0.00 C ATOM 1027 C GLN A 67 0.860 -22.933 -6.911 1.00 0.00 C ATOM 1028 O GLN A 67 0.514 -22.808 -8.085 1.00 0.00 O ATOM 1029 CB GLN A 67 1.079 -25.393 -6.404 1.00 0.00 C ATOM 1030 CG GLN A 67 1.892 -26.512 -7.058 1.00 0.00 C ATOM 1031 CD GLN A 67 0.982 -27.654 -7.518 1.00 0.00 C ATOM 1032 OE1 GLN A 67 0.469 -27.665 -8.625 1.00 0.00 O ATOM 1033 NE2 GLN A 67 0.813 -28.610 -6.610 1.00 0.00 N ATOM 0 H GLN A 67 1.904 -23.925 -4.407 1.00 0.00 H new ATOM 0 HA GLN A 67 2.583 -24.153 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.893 -25.638 -5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.107 -25.313 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.443 -26.115 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.629 -26.892 -6.351 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.272 -28.538 -5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.224 -29.416 -6.821 1.00 0.00 H new ATOM 1042 N SER A 68 0.461 -22.144 -5.923 1.00 0.00 N ATOM 1043 CA SER A 68 -0.446 -21.037 -6.169 1.00 0.00 C ATOM 1044 C SER A 68 0.300 -19.708 -6.029 1.00 0.00 C ATOM 1045 O SER A 68 0.071 -18.779 -6.801 1.00 0.00 O ATOM 1046 CB SER A 68 -1.639 -21.079 -5.213 1.00 0.00 C ATOM 1047 OG SER A 68 -2.503 -19.959 -5.387 1.00 0.00 O ATOM 0 H SER A 68 0.750 -22.250 -4.951 1.00 0.00 H new ATOM 0 HA SER A 68 -0.827 -21.127 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.201 -21.999 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.279 -21.102 -4.185 1.00 0.00 H new ATOM 0 HG SER A 68 -3.253 -20.024 -4.759 1.00 0.00 H new ATOM 1053 N ARG A 69 1.178 -19.661 -5.037 1.00 0.00 N ATOM 1054 CA ARG A 69 1.958 -18.462 -4.785 1.00 0.00 C ATOM 1055 C ARG A 69 2.350 -17.796 -6.106 1.00 0.00 C ATOM 1056 O ARG A 69 2.460 -16.573 -6.181 1.00 0.00 O ATOM 1057 CB ARG A 69 3.225 -18.786 -3.991 1.00 0.00 C ATOM 1058 CG ARG A 69 3.420 -17.795 -2.842 1.00 0.00 C ATOM 1059 CD ARG A 69 4.864 -17.817 -2.337 1.00 0.00 C ATOM 1060 NE ARG A 69 5.121 -16.636 -1.483 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.055 -16.591 -0.524 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.827 -17.661 -0.290 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.217 -15.476 0.202 1.00 0.00 N ATOM 0 H ARG A 69 1.366 -20.434 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 69 1.339 -17.781 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.161 -19.800 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.091 -18.756 -4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.163 -16.790 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.742 -18.042 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.046 -18.731 -1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.553 -17.822 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 69 4.551 -15.804 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.703 -18.510 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.538 -17.627 0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.629 -14.662 0.024 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.928 -15.442 0.932 1.00 0.00 H new ATOM 1077 N GLY A 70 2.549 -18.630 -7.116 1.00 0.00 N ATOM 1078 CA GLY A 70 2.926 -18.138 -8.430 1.00 0.00 C ATOM 1079 C GLY A 70 2.203 -16.829 -8.753 1.00 0.00 C ATOM 1080 O GLY A 70 0.997 -16.713 -8.541 1.00 0.00 O ATOM 0 H GLY A 70 2.456 -19.644 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.004 -17.981 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.686 -18.886 -9.185 1.00 0.00 H new ATOM 1084 N MET A 71 2.971 -15.876 -9.262 1.00 0.00 N ATOM 1085 CA MET A 71 2.418 -14.580 -9.617 1.00 0.00 C ATOM 1086 C MET A 71 2.273 -13.689 -8.381 1.00 0.00 C ATOM 1087 O MET A 71 2.744 -12.553 -8.371 1.00 0.00 O ATOM 1088 CB MET A 71 1.050 -14.770 -10.273 1.00 0.00 C ATOM 1089 CG MET A 71 0.884 -13.838 -11.475 1.00 0.00 C ATOM 1090 SD MET A 71 -0.430 -12.671 -11.166 1.00 0.00 S ATOM 1091 CE MET A 71 -1.742 -13.421 -12.116 1.00 0.00 C ATOM 0 H MET A 71 3.971 -15.976 -9.437 1.00 0.00 H new ATOM 0 HA MET A 71 3.100 -14.094 -10.315 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.937 -15.806 -10.593 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.263 -14.574 -9.545 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.816 -13.306 -11.665 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.661 -14.420 -12.369 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.644 -12.815 -12.032 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.443 -13.484 -13.162 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.941 -14.422 -11.734 1.00 0.00 H new ATOM 1101 N TYR A 72 1.617 -14.239 -7.369 1.00 0.00 N ATOM 1102 CA TYR A 72 1.404 -13.509 -6.131 1.00 0.00 C ATOM 1103 C TYR A 72 2.733 -13.050 -5.528 1.00 0.00 C ATOM 1104 O TYR A 72 2.864 -11.902 -5.105 1.00 0.00 O ATOM 1105 CB TYR A 72 0.735 -14.494 -5.170 1.00 0.00 C ATOM 1106 CG TYR A 72 -0.276 -13.848 -4.221 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -0.095 -12.545 -3.803 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.368 -14.569 -3.781 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -1.047 -11.937 -2.909 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.319 -13.961 -2.887 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.112 -12.675 -2.495 1.00 0.00 C ATOM 1112 OH TYR A 72 -3.010 -12.101 -1.651 1.00 0.00 O ATOM 0 H TYR A 72 1.226 -15.181 -7.381 1.00 0.00 H new ATOM 0 HA TYR A 72 0.797 -12.621 -6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.231 -15.266 -5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.506 -14.991 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.760 -11.981 -4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.509 -15.589 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.918 -10.918 -2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.178 -14.514 -2.535 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.881 -12.036 -2.095 1.00 0.00 H new ATOM 1122 N SER A 73 3.686 -13.970 -5.509 1.00 0.00 N ATOM 1123 CA SER A 73 5.001 -13.674 -4.965 1.00 0.00 C ATOM 1124 C SER A 73 5.665 -12.561 -5.778 1.00 0.00 C ATOM 1125 O SER A 73 6.023 -11.519 -5.233 1.00 0.00 O ATOM 1126 CB SER A 73 5.885 -14.923 -4.953 1.00 0.00 C ATOM 1127 OG SER A 73 6.383 -15.211 -3.649 1.00 0.00 O ATOM 0 H SER A 73 3.574 -14.921 -5.861 1.00 0.00 H new ATOM 0 HA SER A 73 4.878 -13.339 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.313 -15.776 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.721 -14.782 -5.638 1.00 0.00 H new ATOM 0 HG SER A 73 6.941 -16.016 -3.682 1.00 0.00 H new ATOM 1133 N ASN A 74 5.809 -12.821 -7.070 1.00 0.00 N ATOM 1134 CA ASN A 74 6.424 -11.854 -7.963 1.00 0.00 C ATOM 1135 C ASN A 74 5.823 -10.471 -7.703 1.00 0.00 C ATOM 1136 O ASN A 74 6.531 -9.466 -7.741 1.00 0.00 O ATOM 1137 CB ASN A 74 6.165 -12.214 -9.427 1.00 0.00 C ATOM 1138 CG ASN A 74 7.457 -12.154 -10.244 1.00 0.00 C ATOM 1139 OD1 ASN A 74 8.334 -11.340 -10.007 1.00 0.00 O ATOM 1140 ND2 ASN A 74 7.525 -13.059 -11.216 1.00 0.00 N ATOM 0 H ASN A 74 5.510 -13.687 -7.519 1.00 0.00 H new ATOM 0 HA ASN A 74 7.498 -11.857 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.738 -13.215 -9.489 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.431 -11.528 -9.850 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.348 -13.101 -11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.754 -13.712 -11.360 1.00 0.00 H new ATOM 1147 N ARG A 75 4.524 -10.465 -7.444 1.00 0.00 N ATOM 1148 CA ARG A 75 3.820 -9.223 -7.177 1.00 0.00 C ATOM 1149 C ARG A 75 4.256 -8.644 -5.829 1.00 0.00 C ATOM 1150 O ARG A 75 4.773 -7.530 -5.766 1.00 0.00 O ATOM 1151 CB ARG A 75 2.305 -9.439 -7.166 1.00 0.00 C ATOM 1152 CG ARG A 75 1.697 -9.131 -8.535 1.00 0.00 C ATOM 1153 CD ARG A 75 1.804 -7.639 -8.860 1.00 0.00 C ATOM 1154 NE ARG A 75 1.933 -7.447 -10.322 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.433 -6.343 -10.893 1.00 0.00 C ATOM 1156 NH1 ARG A 75 2.854 -5.326 -10.130 1.00 0.00 N ATOM 1157 NH2 ARG A 75 2.511 -6.257 -12.228 1.00 0.00 N ATOM 0 H ARG A 75 3.940 -11.301 -7.413 1.00 0.00 H new ATOM 0 HA ARG A 75 4.070 -8.523 -7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.083 -10.470 -6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.849 -8.801 -6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.208 -9.712 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.651 -9.436 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.922 -7.114 -8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.666 -7.208 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 75 1.622 -8.202 -10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.794 -5.392 -9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.235 -4.486 -10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.190 -7.032 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.892 -5.417 -12.664 1.00 0.00 H new ATOM 1171 N MET A 76 4.031 -9.428 -4.785 1.00 0.00 N ATOM 1172 CA MET A 76 4.394 -9.007 -3.442 1.00 0.00 C ATOM 1173 C MET A 76 5.736 -8.272 -3.442 1.00 0.00 C ATOM 1174 O MET A 76 5.935 -7.338 -2.667 1.00 0.00 O ATOM 1175 CB MET A 76 4.482 -10.232 -2.530 1.00 0.00 C ATOM 1176 CG MET A 76 3.190 -10.416 -1.732 1.00 0.00 C ATOM 1177 SD MET A 76 3.485 -10.073 -0.005 1.00 0.00 S ATOM 1178 CE MET A 76 2.088 -9.019 0.345 1.00 0.00 C ATOM 0 H MET A 76 3.602 -10.352 -4.842 1.00 0.00 H new ATOM 0 HA MET A 76 3.628 -8.324 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.674 -11.122 -3.129 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.323 -10.121 -1.846 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.417 -9.750 -2.117 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.821 -11.435 -1.851 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.441 -8.023 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.451 -8.955 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.517 -9.435 1.175 1.00 0.00 H new ATOM 1188 N ARG A 77 6.621 -8.723 -4.318 1.00 0.00 N ATOM 1189 CA ARG A 77 7.938 -8.119 -4.429 1.00 0.00 C ATOM 1190 C ARG A 77 7.817 -6.650 -4.838 1.00 0.00 C ATOM 1191 O ARG A 77 8.202 -5.758 -4.084 1.00 0.00 O ATOM 1192 CB ARG A 77 8.798 -8.858 -5.456 1.00 0.00 C ATOM 1193 CG ARG A 77 9.815 -9.770 -4.767 1.00 0.00 C ATOM 1194 CD ARG A 77 10.981 -8.959 -4.198 1.00 0.00 C ATOM 1195 NE ARG A 77 12.118 -9.855 -3.890 1.00 0.00 N ATOM 1196 CZ ARG A 77 12.898 -10.425 -4.818 1.00 0.00 C ATOM 1197 NH1 ARG A 77 12.670 -10.196 -6.118 1.00 0.00 N ATOM 1198 NH2 ARG A 77 13.907 -11.224 -4.445 1.00 0.00 N ATOM 0 H ARG A 77 6.452 -9.499 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 77 8.417 -8.189 -3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.159 -9.450 -6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.319 -8.137 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.327 -10.324 -3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 77 10.191 -10.504 -5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.290 -8.199 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.665 -8.436 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 77 12.320 -10.051 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.902 -9.587 -6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.264 -10.630 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.081 -11.398 -3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.501 -11.658 -5.151 1.00 0.00 H new ATOM 1212 N SER A 78 7.279 -6.444 -6.031 1.00 0.00 N ATOM 1213 CA SER A 78 7.101 -5.098 -6.549 1.00 0.00 C ATOM 1214 C SER A 78 6.353 -4.238 -5.529 1.00 0.00 C ATOM 1215 O SER A 78 6.759 -3.113 -5.243 1.00 0.00 O ATOM 1216 CB SER A 78 6.349 -5.115 -7.882 1.00 0.00 C ATOM 1217 OG SER A 78 7.169 -4.683 -8.963 1.00 0.00 O ATOM 0 H SER A 78 6.961 -7.186 -6.654 1.00 0.00 H new ATOM 0 HA SER A 78 8.087 -4.667 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.988 -6.124 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.473 -4.471 -7.812 1.00 0.00 H new ATOM 0 HG SER A 78 6.653 -4.710 -9.796 1.00 0.00 H new ATOM 1223 N TYR A 79 5.273 -4.802 -5.007 1.00 0.00 N ATOM 1224 CA TYR A 79 4.464 -4.101 -4.024 1.00 0.00 C ATOM 1225 C TYR A 79 5.344 -3.439 -2.961 1.00 0.00 C ATOM 1226 O TYR A 79 5.447 -2.214 -2.910 1.00 0.00 O ATOM 1227 CB TYR A 79 3.594 -5.167 -3.356 1.00 0.00 C ATOM 1228 CG TYR A 79 2.516 -5.752 -4.270 1.00 0.00 C ATOM 1229 CD1 TYR A 79 2.364 -5.271 -5.555 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.694 -6.761 -3.810 1.00 0.00 C ATOM 1231 CE1 TYR A 79 1.349 -5.821 -6.415 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.679 -7.312 -4.671 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.557 -6.814 -5.931 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.402 -7.334 -6.743 1.00 0.00 O ATOM 0 H TYR A 79 4.940 -5.736 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 79 3.874 -3.318 -4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.234 -5.975 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.115 -4.733 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.007 -4.482 -5.915 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.812 -7.137 -2.805 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.220 -5.453 -7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.030 -8.102 -4.324 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.726 -8.179 -6.367 1.00 0.00 H new ATOM 1244 N LYS A 80 5.956 -4.279 -2.139 1.00 0.00 N ATOM 1245 CA LYS A 80 6.824 -3.790 -1.080 1.00 0.00 C ATOM 1246 C LYS A 80 7.643 -2.608 -1.603 1.00 0.00 C ATOM 1247 O LYS A 80 7.696 -1.557 -0.967 1.00 0.00 O ATOM 1248 CB LYS A 80 7.677 -4.929 -0.518 1.00 0.00 C ATOM 1249 CG LYS A 80 6.798 -6.025 0.087 1.00 0.00 C ATOM 1250 CD LYS A 80 7.413 -6.572 1.377 1.00 0.00 C ATOM 1251 CE LYS A 80 6.435 -6.448 2.547 1.00 0.00 C ATOM 1252 NZ LYS A 80 6.737 -7.459 3.584 1.00 0.00 N ATOM 0 H LYS A 80 5.868 -5.294 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 80 6.233 -3.422 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.296 -5.350 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.354 -4.540 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.805 -5.627 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.673 -6.834 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.688 -7.617 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.330 -6.029 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.497 -5.448 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.413 -6.578 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.644 -7.028 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.071 -8.253 3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.709 -7.807 3.457 1.00 0.00 H new ATOM 1266 N GLN A 81 8.261 -2.821 -2.755 1.00 0.00 N ATOM 1267 CA GLN A 81 9.075 -1.787 -3.370 1.00 0.00 C ATOM 1268 C GLN A 81 8.234 -0.535 -3.631 1.00 0.00 C ATOM 1269 O GLN A 81 8.652 0.576 -3.308 1.00 0.00 O ATOM 1270 CB GLN A 81 9.720 -2.292 -4.662 1.00 0.00 C ATOM 1271 CG GLN A 81 11.146 -2.787 -4.405 1.00 0.00 C ATOM 1272 CD GLN A 81 11.992 -1.699 -3.740 1.00 0.00 C ATOM 1273 OE1 GLN A 81 11.845 -0.516 -4.000 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.883 -2.164 -2.869 1.00 0.00 N ATOM 0 H GLN A 81 8.214 -3.695 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 81 9.877 -1.526 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.120 -3.100 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.737 -1.492 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.119 -3.671 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.606 -3.086 -5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.954 -3.167 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.496 -1.518 -2.372 1.00 0.00 H new ATOM 1283 N GLU A 82 7.065 -0.757 -4.213 1.00 0.00 N ATOM 1284 CA GLU A 82 6.162 0.339 -4.521 1.00 0.00 C ATOM 1285 C GLU A 82 5.666 0.996 -3.231 1.00 0.00 C ATOM 1286 O GLU A 82 5.950 2.166 -2.978 1.00 0.00 O ATOM 1287 CB GLU A 82 4.989 -0.141 -5.378 1.00 0.00 C ATOM 1288 CG GLU A 82 3.970 0.980 -5.590 1.00 0.00 C ATOM 1289 CD GLU A 82 3.895 1.381 -7.065 1.00 0.00 C ATOM 1290 OE1 GLU A 82 3.888 0.456 -7.905 1.00 0.00 O ATOM 1291 OE2 GLU A 82 3.846 2.604 -7.319 1.00 0.00 O ATOM 0 H GLU A 82 6.722 -1.680 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 82 6.710 1.084 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.358 -0.489 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.505 -0.991 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.988 0.653 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.246 1.846 -4.988 1.00 0.00 H new ATOM 1298 N MET A 83 4.934 0.216 -2.451 1.00 0.00 N ATOM 1299 CA MET A 83 4.395 0.707 -1.194 1.00 0.00 C ATOM 1300 C MET A 83 5.401 1.618 -0.486 1.00 0.00 C ATOM 1301 O MET A 83 5.125 2.794 -0.258 1.00 0.00 O ATOM 1302 CB MET A 83 4.051 -0.476 -0.287 1.00 0.00 C ATOM 1303 CG MET A 83 2.644 -0.331 0.294 1.00 0.00 C ATOM 1304 SD MET A 83 2.663 0.819 1.659 1.00 0.00 S ATOM 1305 CE MET A 83 1.361 1.928 1.148 1.00 0.00 C ATOM 0 H MET A 83 4.701 -0.754 -2.665 1.00 0.00 H new ATOM 0 HA MET A 83 3.496 1.285 -1.407 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.120 -1.405 -0.853 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.778 -0.541 0.523 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.957 0.018 -0.477 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.279 -1.301 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.767 2.932 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.940 1.584 0.203 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.580 1.946 1.908 1.00 0.00 H new ATOM 1315 N GLY A 84 6.546 1.038 -0.157 1.00 0.00 N ATOM 1316 CA GLY A 84 7.594 1.782 0.521 1.00 0.00 C ATOM 1317 C GLY A 84 7.899 3.090 -0.212 1.00 0.00 C ATOM 1318 O GLY A 84 7.969 4.151 0.408 1.00 0.00 O ATOM 0 H GLY A 84 6.771 0.061 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.288 1.997 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.497 1.174 0.579 1.00 0.00 H new ATOM 1322 N LYS A 85 8.072 2.972 -1.520 1.00 0.00 N ATOM 1323 CA LYS A 85 8.368 4.133 -2.343 1.00 0.00 C ATOM 1324 C LYS A 85 7.199 5.117 -2.269 1.00 0.00 C ATOM 1325 O LYS A 85 7.406 6.326 -2.178 1.00 0.00 O ATOM 1326 CB LYS A 85 8.720 3.702 -3.769 1.00 0.00 C ATOM 1327 CG LYS A 85 10.224 3.824 -4.022 1.00 0.00 C ATOM 1328 CD LYS A 85 10.715 2.711 -4.952 1.00 0.00 C ATOM 1329 CE LYS A 85 11.667 3.265 -6.014 1.00 0.00 C ATOM 1330 NZ LYS A 85 12.719 2.274 -6.333 1.00 0.00 N ATOM 0 H LYS A 85 8.013 2.091 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 85 9.248 4.654 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.403 2.672 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.176 4.319 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.445 4.796 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.761 3.775 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.222 1.942 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.863 2.234 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.109 3.515 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.124 4.187 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.357 2.665 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.262 2.055 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.278 1.404 -6.695 1.00 0.00 H new ATOM 1344 N LEU A 86 5.997 4.562 -2.309 1.00 0.00 N ATOM 1345 CA LEU A 86 4.795 5.376 -2.248 1.00 0.00 C ATOM 1346 C LEU A 86 4.877 6.309 -1.038 1.00 0.00 C ATOM 1347 O LEU A 86 4.352 7.421 -1.070 1.00 0.00 O ATOM 1348 CB LEU A 86 3.547 4.490 -2.257 1.00 0.00 C ATOM 1349 CG LEU A 86 2.882 4.282 -3.619 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.116 2.959 -3.659 1.00 0.00 C ATOM 1351 CD2 LEU A 86 1.990 5.472 -3.981 1.00 0.00 C ATOM 0 H LEU A 86 5.829 3.559 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 86 4.717 6.007 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.816 3.514 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.812 4.924 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 86 3.664 4.224 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.653 2.836 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.805 2.134 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.343 2.963 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.529 5.299 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.212 5.586 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.593 6.379 -4.021 1.00 0.00 H new ATOM 1363 N GLU A 87 5.541 5.822 0.000 1.00 0.00 N ATOM 1364 CA GLU A 87 5.699 6.599 1.218 1.00 0.00 C ATOM 1365 C GLU A 87 6.684 7.747 0.991 1.00 0.00 C ATOM 1366 O GLU A 87 6.484 8.851 1.496 1.00 0.00 O ATOM 1367 CB GLU A 87 6.150 5.711 2.380 1.00 0.00 C ATOM 1368 CG GLU A 87 4.971 5.356 3.288 1.00 0.00 C ATOM 1369 CD GLU A 87 5.268 5.725 4.743 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.349 5.318 5.222 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.409 6.405 5.342 1.00 0.00 O ATOM 0 H GLU A 87 5.976 4.900 0.023 1.00 0.00 H new ATOM 0 HA GLU A 87 4.731 7.024 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.602 4.798 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.917 6.225 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.077 5.881 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.760 4.289 3.216 1.00 0.00 H new ATOM 1378 N THR A 88 7.727 7.448 0.231 1.00 0.00 N ATOM 1379 CA THR A 88 8.744 8.442 -0.069 1.00 0.00 C ATOM 1380 C THR A 88 8.269 9.370 -1.189 1.00 0.00 C ATOM 1381 O THR A 88 8.165 10.580 -0.995 1.00 0.00 O ATOM 1382 CB THR A 88 10.042 7.704 -0.402 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.645 7.472 0.869 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.050 8.593 -1.135 1.00 0.00 C ATOM 0 H THR A 88 7.890 6.532 -0.186 1.00 0.00 H new ATOM 0 HA THR A 88 8.931 9.088 0.789 1.00 0.00 H new ATOM 0 HB THR A 88 9.816 6.830 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.493 6.995 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.953 8.021 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.614 8.943 -2.071 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.302 9.449 -0.510 1.00 0.00 H new ATOM 1392 N ASP A 89 7.993 8.768 -2.336 1.00 0.00 N ATOM 1393 CA ASP A 89 7.531 9.525 -3.487 1.00 0.00 C ATOM 1394 C ASP A 89 6.428 10.490 -3.048 1.00 0.00 C ATOM 1395 O ASP A 89 6.362 11.621 -3.525 1.00 0.00 O ATOM 1396 CB ASP A 89 6.951 8.600 -4.559 1.00 0.00 C ATOM 1397 CG ASP A 89 7.863 8.354 -5.763 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.722 7.453 -5.650 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.680 9.073 -6.769 1.00 0.00 O ATOM 0 H ASP A 89 8.080 7.764 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 89 8.384 10.064 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.714 7.640 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.012 9.024 -4.914 1.00 0.00 H new ATOM 1404 N PHE A 90 5.589 10.006 -2.144 1.00 0.00 N ATOM 1405 CA PHE A 90 4.492 10.812 -1.635 1.00 0.00 C ATOM 1406 C PHE A 90 5.009 12.104 -0.999 1.00 0.00 C ATOM 1407 O PHE A 90 4.477 13.183 -1.258 1.00 0.00 O ATOM 1408 CB PHE A 90 3.784 9.979 -0.564 1.00 0.00 C ATOM 1409 CG PHE A 90 2.966 10.806 0.428 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.341 11.942 0.015 1.00 0.00 C ATOM 1411 CD2 PHE A 90 2.862 10.407 1.724 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.582 12.710 0.936 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.103 11.175 2.646 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.478 12.311 2.232 1.00 0.00 C ATOM 0 H PHE A 90 5.647 9.066 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 90 3.821 11.083 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.125 9.262 -1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.529 9.404 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.423 12.259 -1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.357 9.505 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.087 13.612 0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.022 10.858 3.675 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.900 12.895 2.932 1.00 0.00 H new ATOM 1424 N LYS A 91 6.039 11.952 -0.181 1.00 0.00 N ATOM 1425 CA LYS A 91 6.634 13.093 0.494 1.00 0.00 C ATOM 1426 C LYS A 91 7.488 13.881 -0.502 1.00 0.00 C ATOM 1427 O LYS A 91 7.615 15.099 -0.390 1.00 0.00 O ATOM 1428 CB LYS A 91 7.400 12.641 1.738 1.00 0.00 C ATOM 1429 CG LYS A 91 8.898 12.521 1.446 1.00 0.00 C ATOM 1430 CD LYS A 91 9.674 12.147 2.710 1.00 0.00 C ATOM 1431 CE LYS A 91 11.144 12.556 2.592 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.551 13.371 3.759 1.00 0.00 N ATOM 0 H LYS A 91 6.477 11.056 0.030 1.00 0.00 H new ATOM 0 HA LYS A 91 5.858 13.769 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.239 13.353 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.014 11.680 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.063 11.766 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.272 13.466 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.225 12.636 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.604 11.073 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.771 11.667 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.297 13.123 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.551 13.640 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.965 14.229 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.424 12.818 4.630 1.00 0.00 H new ATOM 1446 N ARG A 92 8.051 13.152 -1.455 1.00 0.00 N ATOM 1447 CA ARG A 92 8.890 13.767 -2.470 1.00 0.00 C ATOM 1448 C ARG A 92 8.024 14.438 -3.538 1.00 0.00 C ATOM 1449 O ARG A 92 8.543 14.965 -4.521 1.00 0.00 O ATOM 1450 CB ARG A 92 9.798 12.731 -3.136 1.00 0.00 C ATOM 1451 CG ARG A 92 11.147 12.643 -2.418 1.00 0.00 C ATOM 1452 CD ARG A 92 12.099 11.700 -3.157 1.00 0.00 C ATOM 1453 NE ARG A 92 13.335 12.422 -3.532 1.00 0.00 N ATOM 1454 CZ ARG A 92 14.156 12.042 -4.521 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.877 10.946 -5.240 1.00 0.00 N ATOM 1456 NH2 ARG A 92 15.256 12.758 -4.792 1.00 0.00 N ATOM 0 H ARG A 92 7.943 12.142 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 92 9.512 14.515 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.312 11.755 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.955 12.998 -4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.592 13.635 -2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.998 12.289 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.344 10.847 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.613 11.305 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 92 13.577 13.261 -3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.040 10.401 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.502 10.657 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.469 13.593 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.880 12.468 -5.545 1.00 0.00 H new ATOM 1470 N SER A 93 6.720 14.397 -3.309 1.00 0.00 N ATOM 1471 CA SER A 93 5.777 14.994 -4.240 1.00 0.00 C ATOM 1472 C SER A 93 5.141 16.237 -3.614 1.00 0.00 C ATOM 1473 O SER A 93 4.878 17.219 -4.307 1.00 0.00 O ATOM 1474 CB SER A 93 4.696 13.992 -4.648 1.00 0.00 C ATOM 1475 OG SER A 93 3.724 13.808 -3.622 1.00 0.00 O ATOM 0 H SER A 93 6.294 13.960 -2.492 1.00 0.00 H new ATOM 0 HA SER A 93 6.321 15.285 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.203 14.340 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.160 13.034 -4.884 1.00 0.00 H new ATOM 0 HG SER A 93 4.160 13.859 -2.746 1.00 0.00 H new ATOM 1481 N ARG A 94 4.912 16.153 -2.312 1.00 0.00 N ATOM 1482 CA ARG A 94 4.311 17.259 -1.586 1.00 0.00 C ATOM 1483 C ARG A 94 5.337 18.374 -1.373 1.00 0.00 C ATOM 1484 O ARG A 94 4.969 19.524 -1.136 1.00 0.00 O ATOM 1485 CB ARG A 94 3.778 16.801 -0.227 1.00 0.00 C ATOM 1486 CG ARG A 94 4.920 16.357 0.689 1.00 0.00 C ATOM 1487 CD ARG A 94 4.381 15.663 1.942 1.00 0.00 C ATOM 1488 NE ARG A 94 5.439 15.586 2.973 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.383 14.789 4.049 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.320 13.997 4.241 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.390 14.785 4.933 1.00 0.00 N ATOM 0 H ARG A 94 5.132 15.337 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 94 3.479 17.634 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.225 17.614 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.077 15.978 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.581 15.679 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.517 17.222 0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.523 16.211 2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.033 14.661 1.691 1.00 0.00 H new ATOM 0 HE ARG A 94 6.263 16.176 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.553 14.001 3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.277 13.390 5.060 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.199 15.389 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.347 14.178 5.752 1.00 0.00 H new ATOM 1505 N ILE A 95 6.603 17.995 -1.466 1.00 0.00 N ATOM 1506 CA ILE A 95 7.685 18.949 -1.286 1.00 0.00 C ATOM 1507 C ILE A 95 7.962 19.655 -2.615 1.00 0.00 C ATOM 1508 O ILE A 95 9.102 19.694 -3.076 1.00 0.00 O ATOM 1509 CB ILE A 95 8.913 18.260 -0.688 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.577 17.338 -1.712 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.553 17.520 0.601 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.994 17.813 -2.040 1.00 0.00 C ATOM 0 H ILE A 95 6.904 17.041 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 95 7.399 19.718 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 95 9.641 19.027 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.612 16.321 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.979 17.310 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.444 17.039 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.161 18.229 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.798 16.764 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.443 17.140 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.953 18.821 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.596 17.817 -1.131 1.00 0.00 H new ATOM 1524 N ALA A 96 6.900 20.195 -3.194 1.00 0.00 N ATOM 1525 CA ALA A 96 7.015 20.898 -4.461 1.00 0.00 C ATOM 1526 C ALA A 96 6.257 22.224 -4.375 1.00 0.00 C ATOM 1527 O ALA A 96 5.034 22.237 -4.238 1.00 0.00 O ATOM 1528 CB ALA A 96 6.497 20.003 -5.590 1.00 0.00 C ATOM 0 H ALA A 96 5.956 20.160 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 96 8.058 21.128 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.583 20.530 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.087 19.087 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.452 19.754 -5.406 1.00 0.00 H new ATOM 1534 N SER A 97 7.014 23.308 -4.458 1.00 0.00 N ATOM 1535 CA SER A 97 6.429 24.636 -4.391 1.00 0.00 C ATOM 1536 C SER A 97 7.283 25.625 -5.187 1.00 0.00 C ATOM 1537 O SER A 97 7.827 26.574 -4.624 1.00 0.00 O ATOM 1538 CB SER A 97 6.288 25.104 -2.941 1.00 0.00 C ATOM 1539 OG SER A 97 5.026 25.719 -2.698 1.00 0.00 O ATOM 0 H SER A 97 8.028 23.294 -4.571 1.00 0.00 H new ATOM 0 HA SER A 97 5.432 24.592 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.411 24.252 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.086 25.810 -2.709 1.00 0.00 H new ATOM 0 HG SER A 97 4.975 26.002 -1.761 1.00 0.00 H new ATOM 1545 N GLY A 98 7.373 25.370 -6.484 1.00 0.00 N ATOM 1546 CA GLY A 98 8.151 26.226 -7.363 1.00 0.00 C ATOM 1547 C GLY A 98 9.186 25.413 -8.144 1.00 0.00 C ATOM 1548 O GLY A 98 9.041 24.202 -8.299 1.00 0.00 O ATOM 0 H GLY A 98 6.920 24.582 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.487 26.739 -8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.654 26.995 -6.776 1.00 0.00 H new ATOM 1552 N PRO A 99 10.236 26.131 -8.627 1.00 0.00 N ATOM 1553 CA PRO A 99 11.294 25.490 -9.387 1.00 0.00 C ATOM 1554 C PRO A 99 12.220 24.689 -8.470 1.00 0.00 C ATOM 1555 O PRO A 99 12.559 23.545 -8.770 1.00 0.00 O ATOM 1556 CB PRO A 99 12.006 26.625 -10.105 1.00 0.00 C ATOM 1557 CG PRO A 99 11.621 27.894 -9.362 1.00 0.00 C ATOM 1558 CD PRO A 99 10.441 27.567 -8.462 1.00 0.00 C ATOM 0 HA PRO A 99 10.915 24.760 -10.102 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.086 26.478 -10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.703 26.677 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.461 28.261 -8.772 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.357 28.683 -10.066 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.653 27.820 -7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.554 28.130 -8.752 1.00 0.00 H new ATOM 1566 N SER A 100 12.604 25.321 -7.371 1.00 0.00 N ATOM 1567 CA SER A 100 13.484 24.681 -6.408 1.00 0.00 C ATOM 1568 C SER A 100 13.800 25.648 -5.265 1.00 0.00 C ATOM 1569 O SER A 100 14.662 26.515 -5.401 1.00 0.00 O ATOM 1570 CB SER A 100 14.777 24.206 -7.074 1.00 0.00 C ATOM 1571 OG SER A 100 15.159 22.906 -6.633 1.00 0.00 O ATOM 0 H SER A 100 12.322 26.270 -7.126 1.00 0.00 H new ATOM 0 HA SER A 100 12.972 23.807 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.645 24.197 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.578 24.913 -6.856 1.00 0.00 H new ATOM 0 HG SER A 100 15.988 22.638 -7.083 1.00 0.00 H new ATOM 1577 N SER A 101 13.085 25.466 -4.164 1.00 0.00 N ATOM 1578 CA SER A 101 13.279 26.311 -2.998 1.00 0.00 C ATOM 1579 C SER A 101 12.776 27.726 -3.288 1.00 0.00 C ATOM 1580 O SER A 101 11.794 28.173 -2.697 1.00 0.00 O ATOM 1581 CB SER A 101 14.750 26.346 -2.581 1.00 0.00 C ATOM 1582 OG SER A 101 15.331 25.045 -2.562 1.00 0.00 O ATOM 0 H SER A 101 12.371 24.746 -4.055 1.00 0.00 H new ATOM 0 HA SER A 101 12.706 25.890 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.307 26.982 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.836 26.796 -1.592 1.00 0.00 H new ATOM 0 HG SER A 101 16.271 25.110 -2.293 1.00 0.00 H new ATOM 1588 N GLY A 102 13.471 28.392 -4.198 1.00 0.00 N ATOM 1589 CA GLY A 102 13.107 29.748 -4.574 1.00 0.00 C ATOM 1590 C GLY A 102 13.974 30.772 -3.838 1.00 0.00 C ATOM 1591 O GLY A 102 14.459 31.728 -4.442 1.00 0.00 O ATOM 0 H GLY A 102 14.285 28.018 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.223 29.874 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.056 29.923 -4.344 1.00 0.00 H new TER 1595 GLY A 102